data_17992 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17992 _Entry.PDB_ID 2LKH 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 17992 _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 8 8 HIS HA H 8 4.738 4.738 4.651 0.087 17992 2 1 1 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.885 -0.109 17992 3 1 1 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.515 -1.171 17992 4 1 1 . 1 1 8 8 HIS H H 8 8.686 8.686 8.219 0.467 17992 5 1 1 . 1 1 9 9 ALA N N 9 124.079 124.079 127.220 -3.141 17992 6 1 1 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.272 0.115 17992 7 1 1 . 1 1 9 9 ALA CA C 9 53.287 53.287 53.029 0.258 17992 8 1 1 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.250 -1.075 17992 9 1 1 . 1 1 9 9 ALA H H 9 8.457 8.457 8.428 0.029 17992 10 1 1 . 1 1 10 10 MET N N 10 120.430 120.430 119.310 1.120 17992 11 1 1 . 1 1 10 10 MET HA H 10 4.390 4.390 4.351 0.039 17992 12 1 1 . 1 1 10 10 MET CA C 10 57.753 57.753 57.965 -0.212 17992 13 1 1 . 1 1 10 10 MET CB C 10 32.355 32.355 32.695 -0.340 17992 14 1 1 . 1 1 10 10 MET H H 10 8.545 8.545 8.470 0.075 17992 15 1 1 . 1 1 11 11 VAL N N 11 119.159 119.159 117.170 1.989 17992 16 1 1 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.959 0.057 17992 17 1 1 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.335 0.936 17992 18 1 1 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.618 -0.007 17992 19 1 1 . 1 1 11 11 VAL H H 11 8.339 8.339 7.971 0.368 17992 20 1 1 . 1 1 12 12 ILE N N 12 119.461 119.461 119.307 0.154 17992 21 1 1 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.927 0.026 17992 22 1 1 . 1 1 12 12 ILE CA C 12 64.334 64.334 62.923 1.411 17992 23 1 1 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.283 -0.787 17992 24 1 1 . 1 1 12 12 ILE H H 12 7.705 7.705 7.801 -0.096 17992 25 1 1 . 1 1 13 13 ASP N N 13 119.460 119.460 119.429 0.031 17992 26 1 1 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.613 -0.229 17992 27 1 1 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.799 1.725 17992 28 1 1 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.914 -1.502 17992 29 1 1 . 1 1 13 13 ASP H H 13 8.172 8.172 7.723 0.449 17992 30 1 1 . 1 1 14 14 HIS N N 14 116.421 116.421 117.325 -0.904 17992 31 1 1 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.491 0.049 17992 32 1 1 . 1 1 14 14 HIS CA C 14 58.748 58.748 59.243 -0.495 17992 33 1 1 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.567 -1.915 17992 34 1 1 . 1 1 14 14 HIS H H 14 8.138 8.138 7.992 0.146 17992 35 1 1 . 1 1 15 15 ILE N N 15 119.970 119.970 119.972 -0.002 17992 36 1 1 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.863 -0.055 17992 37 1 1 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.529 0.874 17992 38 1 1 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.699 0.088 17992 39 1 1 . 1 1 15 15 ILE H H 15 8.224 8.224 7.662 0.562 17992 40 1 1 . 1 1 16 16 LEU N N 16 118.635 118.635 121.446 -2.811 17992 41 1 1 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.901 1.091 17992 42 1 1 . 1 1 16 16 LEU CA C 16 58.786 58.786 57.297 1.489 17992 43 1 1 . 1 1 16 16 LEU H H 16 8.480 8.480 7.784 0.696 17992 44 1 1 . 1 1 17 17 LYS N N 17 118.257 118.257 118.046 0.211 17992 45 1 1 . 1 1 17 17 LYS HA H 17 4.094 4.094 3.947 0.147 17992 46 1 1 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.174 0.708 17992 47 1 1 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.819 0.397 17992 48 1 1 . 1 1 17 17 LYS H H 17 8.098 8.098 7.949 0.149 17992 49 1 1 . 1 1 18 18 CYS N N 18 117.220 117.220 118.061 -0.841 17992 50 1 1 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.311 0.018 17992 51 1 1 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.071 1.147 17992 52 1 1 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.127 -0.305 17992 53 1 1 . 1 1 18 18 CYS H H 18 7.899 7.899 8.120 -0.221 17992 54 1 1 . 1 1 19 19 VAL N N 19 118.929 118.929 119.696 -0.767 17992 55 1 1 . 1 1 19 19 VAL HA H 19 3.725 3.725 4.016 -0.291 17992 56 1 1 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.416 2.664 17992 57 1 1 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.627 0.430 17992 58 1 1 . 1 1 19 19 VAL H H 19 8.352 8.352 7.404 0.948 17992 59 1 1 . 1 1 20 20 PHE N N 20 120.244 120.244 120.080 0.164 17992 60 1 1 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.366 -0.092 17992 61 1 1 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.786 1.840 17992 62 1 1 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.917 0.163 17992 63 1 1 . 1 1 20 20 PHE H H 20 8.791 8.791 8.863 -0.072 17992 64 1 1 . 1 1 21 21 ASP N N 21 118.761 118.761 120.409 -1.648 17992 65 1 1 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.348 0.015 17992 66 1 1 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.605 -0.088 17992 67 1 1 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.908 -0.840 17992 68 1 1 . 1 1 21 21 ASP H H 21 8.705 8.705 7.927 0.778 17992 69 1 1 . 1 1 22 22 LYS N N 22 118.200 118.200 119.836 -1.636 17992 70 1 1 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.147 0.047 17992 71 1 1 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.689 -0.096 17992 72 1 1 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.543 -0.244 17992 73 1 1 . 1 1 22 22 LYS H H 22 7.810 7.810 7.602 0.208 17992 74 1 1 . 1 1 23 23 ILE N N 23 118.534 118.534 119.770 -1.236 17992 75 1 1 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.706 0.075 17992 76 1 1 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.547 0.549 17992 77 1 1 . 1 1 23 23 ILE H H 23 8.351 8.351 7.683 0.668 17992 78 1 1 . 1 1 24 24 CYS N N 24 117.155 117.155 115.581 1.574 17992 79 1 1 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.281 -0.232 17992 80 1 1 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.492 2.007 17992 81 1 1 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.031 -0.405 17992 82 1 1 . 1 1 24 24 CYS H H 24 8.203 8.203 7.667 0.536 17992 83 1 1 . 1 1 25 25 LYS N N 25 119.995 119.995 121.771 -1.776 17992 84 1 1 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.282 -0.520 17992 85 1 1 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.590 -0.205 17992 86 1 1 . 1 1 25 25 LYS H H 25 7.760 7.760 7.360 0.400 17992 87 1 1 . 1 1 26 26 ILE N N 26 119.168 119.168 119.235 -0.067 17992 88 1 1 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.743 0.231 17992 89 1 1 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.933 0.173 17992 90 1 1 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.786 -0.230 17992 91 1 1 . 1 1 26 26 ILE H H 26 8.055 8.055 8.426 -0.371 17992 92 1 1 . 1 1 27 27 GLY N N 27 108.257 108.257 106.416 1.841 17992 93 1 1 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.453 -0.464 17992 94 1 1 . 1 1 27 27 GLY H H 27 8.568 8.568 7.886 0.682 17992 95 1 1 . 1 1 28 28 THR N N 28 112.727 112.727 114.859 -2.132 17992 96 1 1 . 1 1 28 28 THR HA H 28 3.912 3.912 4.303 -0.391 17992 97 1 1 . 1 1 28 28 THR CA C 28 64.717 64.717 63.259 1.458 17992 98 1 1 . 1 1 28 28 THR CB C 28 69.375 69.375 68.859 0.516 17992 99 1 1 . 1 1 28 28 THR H H 28 8.059 8.059 7.590 0.469 17992 100 1 1 . 1 1 29 29 GLU N N 29 120.068 120.068 121.869 -1.801 17992 101 1 1 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.166 -1.562 17992 102 1 1 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.239 -0.146 17992 103 1 1 . 1 1 29 29 GLU H H 29 8.113 8.113 7.898 0.215 17992 104 1 1 . 1 1 30 30 SER N N 30 114.882 114.882 114.749 0.133 17992 105 1 1 . 1 1 30 30 SER HA H 30 4.374 4.374 4.292 0.082 17992 106 1 1 . 1 1 30 30 SER CA C 30 60.353 60.353 61.110 -0.757 17992 107 1 1 . 1 1 30 30 SER H H 30 8.060 8.060 8.166 -0.106 17992 108 1 1 . 1 1 31 31 VAL N N 31 122.098 122.098 119.968 2.130 17992 109 1 1 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.778 0.239 17992 110 1 1 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.856 -1.229 17992 111 1 1 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.417 0.568 17992 112 1 1 . 1 1 31 31 VAL H H 31 8.127 8.127 7.883 0.244 17992 113 1 1 . 1 1 32 32 GLU N N 32 120.280 120.280 120.278 0.002 17992 114 1 1 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.111 0.207 17992 115 1 1 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.276 -1.389 17992 116 1 1 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.364 -0.711 17992 117 1 1 . 1 1 32 32 GLU H H 32 8.243 8.243 7.315 0.928 17992 118 1 1 . 1 1 33 33 ALA N N 33 121.715 121.715 121.265 0.450 17992 119 1 1 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.904 0.285 17992 120 1 1 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.232 0.492 17992 121 1 1 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.124 0.604 17992 122 1 1 . 1 1 33 33 ALA H H 33 8.218 8.218 7.516 0.702 17992 123 1 1 . 1 1 34 34 GLY N N 34 104.656 104.656 105.525 -0.869 17992 124 1 1 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.259 0.815 17992 125 1 1 . 1 1 34 34 GLY H H 34 8.308 8.308 7.979 0.329 17992 126 1 1 . 1 1 35 35 ARG N N 35 119.958 119.958 121.475 -1.517 17992 127 1 1 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.314 -0.038 17992 128 1 1 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.258 1.767 17992 129 1 1 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.798 0.491 17992 130 1 1 . 1 1 35 35 ARG H H 35 7.975 7.975 7.318 0.657 17992 131 1 1 . 1 1 36 36 LEU N N 36 118.931 118.931 121.012 -2.081 17992 132 1 1 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.113 0.111 17992 133 1 1 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.952 -0.149 17992 134 1 1 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.562 0.631 17992 135 1 1 . 1 1 36 36 LEU H H 36 7.958 7.958 8.611 -0.653 17992 136 1 1 . 1 1 37 37 ILE N N 37 118.087 118.087 118.455 -0.368 17992 137 1 1 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.660 0.271 17992 138 1 1 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.435 0.424 17992 139 1 1 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.441 0.598 17992 140 1 1 . 1 1 37 37 ILE H H 37 7.904 7.904 7.521 0.383 17992 141 1 1 . 1 1 38 38 GLU N N 38 120.989 120.989 119.599 1.390 17992 142 1 1 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.977 0.255 17992 143 1 1 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.645 -1.200 17992 144 1 1 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.372 -0.361 17992 145 1 1 . 1 1 38 38 GLU H H 38 8.041 8.041 7.408 0.633 17992 146 1 1 . 1 1 39 39 LEU N N 39 120.111 120.111 119.277 0.834 17992 147 1 1 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.001 0.270 17992 148 1 1 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.501 -0.090 17992 149 1 1 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.337 0.958 17992 150 1 1 . 1 1 39 39 LEU H H 39 8.173 8.173 7.721 0.452 17992 151 1 1 . 1 1 40 40 SER N N 40 113.806 113.806 113.518 0.288 17992 152 1 1 . 1 1 40 40 SER HA H 40 4.312 4.312 4.135 0.177 17992 153 1 1 . 1 1 40 40 SER CA C 40 60.406 60.406 60.675 -0.269 17992 154 1 1 . 1 1 40 40 SER CB C 40 63.646 63.646 63.181 0.465 17992 155 1 1 . 1 1 40 40 SER H H 40 8.031 8.031 7.620 0.411 17992 156 1 1 . 1 1 41 41 GLN N N 41 120.139 120.139 118.262 1.877 17992 157 1 1 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.232 0.164 17992 158 1 1 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.362 -0.761 17992 159 1 1 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.869 -0.484 17992 160 1 1 . 1 1 41 41 GLN H H 41 7.956 7.956 7.846 0.110 17992 161 1 1 . 1 1 42 42 GLU N N 42 119.728 119.728 115.642 4.086 17992 162 1 1 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.292 0.081 17992 163 1 1 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.609 0.480 17992 164 1 1 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.783 -2.428 17992 165 1 1 . 1 1 42 42 GLU H H 42 8.114 8.114 8.313 -0.199 17992 166 1 1 . 1 1 43 43 GLY N N 43 108.655 108.655 109.261 -0.606 17992 167 1 1 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.691 -0.068 17992 168 1 1 . 1 1 43 43 GLY H H 43 8.325 8.325 7.882 0.443 17992 169 1 1 . 1 1 44 44 GLY N N 44 107.872 107.872 108.965 -1.093 17992 170 1 1 . 1 1 44 44 GLY CA C 44 45.487 45.487 45.640 -0.153 17992 171 1 1 . 1 1 44 44 GLY H H 44 8.105 8.105 7.865 0.240 17992 172 1 1 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.712 1.683 17992 173 1 1 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.468 0.001 17992 174 1 1 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.361 1.069 17992 175 1 1 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.866 0.455 17992 176 1 1 . 1 1 50 50 LEU N N 50 116.864 116.864 117.619 -0.755 17992 177 1 1 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.406 -0.204 17992 178 1 1 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.712 1.837 17992 179 1 1 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.202 1.497 17992 180 1 1 . 1 1 50 50 LEU H H 50 8.336 8.336 8.115 0.221 17992 181 1 1 . 1 1 51 51 TYR N N 51 118.433 118.433 122.026 -3.593 17992 182 1 1 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.225 -0.060 17992 183 1 1 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.973 0.061 17992 184 1 1 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.518 -0.034 17992 185 1 1 . 1 1 51 51 TYR H H 51 7.765 7.765 7.739 0.026 17992 186 1 1 . 1 1 52 52 PHE N N 52 117.945 117.945 119.722 -1.777 17992 187 1 1 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.868 0.392 17992 188 1 1 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.267 -0.016 17992 189 1 1 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.950 0.369 17992 190 1 1 . 1 1 52 52 PHE H H 52 7.873 7.873 7.923 -0.050 17992 191 1 1 . 1 1 53 53 VAL N N 53 117.468 117.468 118.342 -0.874 17992 192 1 1 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.428 0.224 17992 193 1 1 . 1 1 53 53 VAL CA C 53 66.298 66.298 64.700 1.598 17992 194 1 1 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.578 0.231 17992 195 1 1 . 1 1 53 53 VAL H H 53 7.864 7.864 7.583 0.281 17992 196 1 1 . 1 1 54 54 VAL N N 54 116.929 116.929 120.771 -3.842 17992 197 1 1 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.756 -0.054 17992 198 1 1 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.134 -0.067 17992 199 1 1 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.297 0.504 17992 200 1 1 . 1 1 54 54 VAL H H 54 7.958 7.958 7.658 0.300 17992 201 1 1 . 1 1 55 55 ASN N N 55 115.543 115.543 117.203 -1.660 17992 202 1 1 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.585 0.045 17992 203 1 1 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.199 0.261 17992 204 1 1 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.582 1.347 17992 205 1 1 . 1 1 55 55 ASN H H 55 7.823 7.823 7.998 -0.175 17992 206 1 1 . 1 1 56 56 VAL N N 56 116.125 116.125 118.405 -2.280 17992 207 1 1 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.695 0.402 17992 208 1 1 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.551 -1.412 17992 209 1 1 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.209 -0.206 17992 210 1 1 . 1 1 56 56 VAL H H 56 7.664 7.664 7.085 0.579 17992 211 1 1 . 1 1 57 57 ILE N N 57 116.872 116.872 118.888 -2.016 17992 212 1 1 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.712 0.297 17992 213 1 1 . 1 1 57 57 ILE CA C 57 63.550 63.550 64.564 -1.014 17992 214 1 1 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.504 0.259 17992 215 1 1 . 1 1 57 57 ILE H H 57 7.587 7.587 7.673 -0.086 17992 216 1 1 . 1 1 58 58 GLU N N 58 118.190 118.190 120.623 -2.433 17992 217 1 1 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.128 0.071 17992 218 1 1 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.960 -1.655 17992 219 1 1 . 1 1 58 58 GLU H H 58 8.114 8.114 7.844 0.270 17992 220 1 1 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.355 0.154 17992 221 1 1 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.193 0.369 17992 222 1 1 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.312 0.154 17992 223 1 1 . 1 1 60 60 CYS N N 60 115.035 115.035 117.951 -2.916 17992 224 1 1 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.136 0.132 17992 225 1 1 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.431 -1.318 17992 226 1 1 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.658 -0.668 17992 227 1 1 . 1 1 60 60 CYS H H 60 7.913 7.913 7.563 0.350 17992 228 1 1 . 1 1 61 61 LYS N N 61 121.184 121.184 120.610 0.574 17992 229 1 1 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.967 0.305 17992 230 1 1 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.791 -0.702 17992 231 1 1 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.034 0.394 17992 232 1 1 . 1 1 61 61 LYS H H 61 8.197 8.197 8.110 0.087 17992 233 1 1 . 1 1 62 62 LYS N N 62 118.253 118.253 117.551 0.702 17992 234 1 1 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.679 -0.835 17992 235 1 1 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.022 0.068 17992 236 1 1 . 1 1 62 62 LYS H H 62 7.982 7.982 7.928 0.054 17992 237 1 1 . 1 1 63 63 PHE N N 63 118.763 118.763 117.537 1.226 17992 238 1 1 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.483 -0.228 17992 239 1 1 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.107 1.427 17992 240 1 1 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.233 -0.083 17992 241 1 1 . 1 1 63 63 PHE H H 63 8.155 8.155 7.583 0.572 17992 242 1 1 . 1 1 64 64 SER N N 64 114.881 114.881 116.705 -1.824 17992 243 1 1 . 1 1 64 64 SER HA H 64 4.268 4.268 3.471 0.797 17992 244 1 1 . 1 1 64 64 SER CA C 64 61.588 61.588 61.922 -0.334 17992 245 1 1 . 1 1 64 64 SER CB C 64 63.175 63.175 62.804 0.371 17992 246 1 1 . 1 1 64 64 SER H H 64 8.218 8.218 8.032 0.186 17992 247 1 1 . 1 1 65 65 GLU N N 65 120.937 120.937 120.164 0.773 17992 248 1 1 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.026 0.258 17992 249 1 1 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.887 -0.676 17992 250 1 1 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.410 -0.448 17992 251 1 1 . 1 1 65 65 GLU H H 65 8.067 8.067 7.722 0.345 17992 252 1 1 . 1 1 66 66 LEU N N 66 118.904 118.904 118.851 0.053 17992 253 1 1 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.106 0.157 17992 254 1 1 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.164 0.058 17992 255 1 1 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.571 0.754 17992 256 1 1 . 1 1 66 66 LEU H H 66 8.003 8.003 8.010 -0.007 17992 257 1 1 . 1 1 67 67 THR N N 67 108.190 108.190 108.953 -0.763 17992 258 1 1 . 1 1 67 67 THR HA H 67 4.043 4.043 4.051 -0.008 17992 259 1 1 . 1 1 67 67 THR CA C 67 64.579 64.579 64.856 -0.277 17992 260 1 1 . 1 1 67 67 THR CB C 67 69.410 69.410 68.010 1.400 17992 261 1 1 . 1 1 67 67 THR H H 67 7.783 7.783 7.365 0.418 17992 262 1 1 . 1 1 68 68 GLY N N 68 108.141 108.141 107.798 0.343 17992 263 1 1 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.286 0.958 17992 264 1 1 . 1 1 68 68 GLY H H 68 7.964 7.964 7.568 0.396 17992 265 1 1 . 1 1 69 69 LEU N N 69 120.124 120.124 121.028 -0.904 17992 266 1 1 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.578 -0.226 17992 267 1 1 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.760 0.726 17992 268 1 1 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.607 -0.233 17992 269 1 1 . 1 1 69 69 LEU H H 69 7.749 7.749 7.565 0.184 17992 270 1 1 . 1 1 70 70 VAL N N 70 115.546 115.546 117.661 -2.115 17992 271 1 1 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.850 0.085 17992 272 1 1 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.921 -1.291 17992 273 1 1 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.418 -0.154 17992 274 1 1 . 1 1 70 70 VAL H H 70 7.607 7.607 7.539 0.068 17992 275 1 1 . 1 1 71 71 PHE N N 71 119.035 119.035 116.154 2.881 17992 276 1 1 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.452 0.106 17992 277 1 1 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.045 -0.498 17992 278 1 1 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.434 -0.134 17992 279 1 1 . 1 1 71 71 PHE H H 71 7.618 7.618 7.976 -0.358 17992 280 1 1 . 1 1 72 72 TYR N N 72 118.365 118.365 117.461 0.904 17992 281 1 1 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.635 -0.056 17992 282 1 1 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.334 -1.238 17992 283 1 1 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.768 -1.524 17992 284 1 1 . 1 1 72 72 TYR H H 72 7.740 7.740 7.963 -0.223 17992 285 1 1 . 1 1 73 73 LEU N N 73 121.184 121.184 121.865 -0.681 17992 286 1 1 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.731 -0.156 17992 287 1 1 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.992 1.556 17992 288 1 1 . 1 1 73 73 LEU CB C 73 42.081 42.081 41.935 0.146 17992 289 1 1 . 1 1 73 73 LEU H H 73 7.713 7.713 7.983 -0.270 17992 290 1 1 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.514 0.124 17992 291 1 1 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.858 0.346 17992 292 1 1 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.005 -0.324 17992 293 1 1 . 1 1 75 75 THR N N 75 113.231 113.231 115.300 -2.069 17992 294 1 1 . 1 1 75 75 THR HA H 75 4.339 4.339 4.476 -0.137 17992 295 1 1 . 1 1 75 75 THR CA C 75 62.684 62.684 62.390 0.294 17992 296 1 1 . 1 1 75 75 THR H H 75 8.217 8.217 8.183 0.034 17992 297 1 1 . 1 1 76 76 ASP N N 76 120.892 120.892 118.746 2.146 17992 298 1 1 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.595 0.195 17992 299 1 1 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.372 0.867 17992 300 1 1 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.033 -1.718 17992 301 1 1 . 1 1 76 76 ASP H H 76 8.406 8.406 7.597 0.809 17992 302 1 1 . 1 1 77 77 SER N N 77 115.861 115.861 114.263 1.598 17992 303 1 1 . 1 1 77 77 SER HA H 77 4.345 4.345 4.211 0.134 17992 304 1 1 . 1 1 77 77 SER CA C 77 60.528 60.528 59.432 1.096 17992 305 1 1 . 1 1 77 77 SER CB C 77 63.812 63.812 63.318 0.494 17992 306 1 1 . 1 1 77 77 SER H H 77 8.238 8.238 8.505 -0.267 17992 307 1 1 . 1 1 78 78 GLY N N 78 110.440 110.440 105.966 4.474 17992 308 1 1 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.005 1.648 17992 309 1 1 . 1 1 78 78 GLY H H 78 8.570 8.570 7.706 0.864 17992 310 1 1 . 1 1 79 79 GLU N N 79 121.242 121.242 121.556 -0.314 17992 311 1 1 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.095 0.225 17992 312 1 1 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.351 -1.333 17992 313 1 1 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.745 -0.663 17992 314 1 1 . 1 1 79 79 GLU H H 79 8.237 8.237 8.517 -0.280 17992 315 1 1 . 1 1 80 80 LYS N N 80 119.708 119.708 118.098 1.610 17992 316 1 1 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.275 0.044 17992 317 1 1 . 1 1 80 80 LYS CA C 80 57.881 57.881 57.912 -0.031 17992 318 1 1 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.962 0.784 17992 319 1 1 . 1 1 80 80 LYS H H 80 8.252 8.252 8.497 -0.245 17992 320 1 1 . 1 1 81 81 MET N N 81 119.849 119.849 117.169 2.680 17992 321 1 1 . 1 1 81 81 MET HA H 81 4.367 4.367 4.421 -0.054 17992 322 1 1 . 1 1 81 81 MET CA C 81 57.845 57.845 58.528 -0.683 17992 323 1 1 . 1 1 81 81 MET CB C 81 32.658 32.658 32.569 0.089 17992 324 1 1 . 1 1 81 81 MET H H 81 8.419 8.419 7.732 0.687 17992 325 1 1 . 1 1 82 82 THR N N 82 114.947 114.947 115.257 -0.310 17992 326 1 1 . 1 1 82 82 THR HA H 82 4.132 4.132 4.021 0.111 17992 327 1 1 . 1 1 82 82 THR CA C 82 65.377 65.377 66.109 -0.732 17992 328 1 1 . 1 1 82 82 THR CB C 82 69.035 69.035 68.375 0.660 17992 329 1 1 . 1 1 82 82 THR H H 82 8.115 8.115 8.336 -0.221 17992 330 1 1 . 1 1 83 83 GLU N N 83 121.416 121.416 119.164 2.252 17992 331 1 1 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.276 0.097 17992 332 1 1 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.552 -0.488 17992 333 1 1 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.392 -0.451 17992 334 1 1 . 1 1 83 83 GLU H H 83 8.336 8.336 8.303 0.033 17992 335 1 1 . 1 1 84 84 SER N N 84 115.783 115.783 115.991 -0.208 17992 336 1 1 . 1 1 84 84 SER HA H 84 4.278 4.278 4.295 -0.017 17992 337 1 1 . 1 1 84 84 SER CA C 84 61.685 61.685 60.980 0.705 17992 338 1 1 . 1 1 84 84 SER H H 84 8.191 8.191 8.248 -0.057 17992 339 1 1 . 1 1 85 85 LYS N N 85 121.318 121.318 121.044 0.274 17992 340 1 1 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.082 0.003 17992 341 1 1 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.558 1.230 17992 342 1 1 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.301 0.129 17992 343 1 1 . 1 1 85 85 LYS H H 85 8.113 8.113 7.579 0.534 17992 344 1 1 . 1 1 86 86 SER N N 86 115.042 115.042 114.517 0.525 17992 345 1 1 . 1 1 86 86 SER HA H 86 4.389 4.389 4.374 0.015 17992 346 1 1 . 1 1 86 86 SER CA C 86 61.437 61.437 59.983 1.454 17992 347 1 1 . 1 1 86 86 SER CB C 86 63.116 63.116 62.937 0.179 17992 348 1 1 . 1 1 86 86 SER H H 86 8.066 8.066 7.711 0.355 17992 349 1 1 . 1 1 87 87 VAL N N 87 122.920 122.920 121.946 0.974 17992 350 1 1 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.843 0.537 17992 351 1 1 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.518 0.605 17992 352 1 1 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.931 -0.552 17992 353 1 1 . 1 1 87 87 VAL H H 87 8.103 8.103 7.254 0.849 17992 354 1 1 . 1 1 88 88 LEU N N 88 119.501 119.501 118.194 1.307 17992 355 1 1 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.100 0.022 17992 356 1 1 . 1 1 88 88 LEU CA C 88 57.906 57.906 56.953 0.953 17992 357 1 1 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.463 0.481 17992 358 1 1 . 1 1 88 88 LEU H H 88 8.146 8.146 7.442 0.704 17992 359 1 1 . 1 1 89 89 LYS N N 89 120.285 120.285 119.608 0.677 17992 360 1 1 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.079 0.016 17992 361 1 1 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.186 0.701 17992 362 1 1 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.632 -0.406 17992 363 1 1 . 1 1 89 89 LYS H H 89 8.245 8.245 7.647 0.598 17992 364 1 1 . 1 1 90 90 SER N N 90 115.131 115.131 114.222 0.909 17992 365 1 1 . 1 1 90 90 SER HA H 90 4.362 4.362 4.311 0.051 17992 366 1 1 . 1 1 90 90 SER CA C 90 61.815 61.815 60.543 1.272 17992 367 1 1 . 1 1 90 90 SER H H 90 8.037 8.037 7.819 0.218 17992 368 1 1 . 1 1 91 91 LEU N N 91 120.855 120.855 122.560 -1.705 17992 369 1 1 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.192 -0.044 17992 370 1 1 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.246 1.167 17992 371 1 1 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.649 0.526 17992 372 1 1 . 1 1 91 91 LEU H H 91 8.445 8.445 7.237 1.208 17992 373 1 1 . 1 1 92 92 THR N N 92 112.933 112.933 115.335 -2.402 17992 374 1 1 . 1 1 92 92 THR HA H 92 3.904 3.904 3.856 0.048 17992 375 1 1 . 1 1 92 92 THR CA C 92 67.390 67.390 66.754 0.636 17992 376 1 1 . 1 1 92 92 THR CB C 92 69.367 69.367 68.344 1.022 17992 377 1 1 . 1 1 92 92 THR H H 92 8.383 8.383 7.566 0.817 17992 378 1 1 . 1 1 93 93 GLU N N 93 120.387 120.387 120.592 -0.205 17992 379 1 1 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.461 0.026 17992 380 1 1 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.529 -0.384 17992 381 1 1 . 1 1 93 93 GLU H H 93 7.971 7.971 8.187 -0.216 17992 382 1 1 . 1 1 94 94 LYS N N 94 118.470 118.470 118.813 -0.343 17992 383 1 1 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.201 -0.035 17992 384 1 1 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.193 0.853 17992 385 1 1 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.478 -0.131 17992 386 1 1 . 1 1 94 94 LYS H H 94 7.804 7.804 7.755 0.049 17992 387 1 1 . 1 1 95 95 LEU N N 95 118.397 118.397 118.406 -0.009 17992 388 1 1 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.254 -0.095 17992 389 1 1 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.725 1.151 17992 390 1 1 . 1 1 95 95 LEU CB C 95 41.949 41.949 41.899 0.050 17992 391 1 1 . 1 1 95 95 LEU H H 95 8.256 8.256 7.251 1.005 17992 392 1 1 . 1 1 96 96 LYS N N 96 117.747 117.747 119.357 -1.610 17992 393 1 1 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.074 -0.134 17992 394 1 1 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.084 1.198 17992 395 1 1 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.065 0.284 17992 396 1 1 . 1 1 96 96 LYS H H 96 8.105 8.105 8.409 -0.304 17992 397 1 1 . 1 1 97 97 LYS N N 97 116.451 116.451 118.627 -2.176 17992 398 1 1 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.219 -0.052 17992 399 1 1 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.232 1.311 17992 400 1 1 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.788 0.363 17992 401 1 1 . 1 1 97 97 LYS H H 97 7.520 7.520 7.855 -0.335 17992 402 1 1 . 1 1 98 98 ILE N N 98 117.587 117.587 121.567 -3.980 17992 403 1 1 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.796 0.134 17992 404 1 1 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.950 0.349 17992 405 1 1 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.094 -0.345 17992 406 1 1 . 1 1 98 98 ILE H H 98 7.782 7.782 7.313 0.469 17992 407 1 1 . 1 1 99 99 VAL N N 99 116.989 116.989 115.372 1.617 17992 408 1 1 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.684 0.141 17992 409 1 1 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.062 0.900 17992 410 1 1 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.413 0.069 17992 411 1 1 . 1 1 99 99 VAL H H 99 7.917 7.917 7.427 0.490 17992 412 1 1 . 1 1 100 100 GLU N N 100 116.782 116.782 118.509 -1.727 17992 413 1 1 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.197 0.016 17992 414 1 1 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.699 0.275 17992 415 1 1 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.540 -1.617 17992 416 1 1 . 1 1 100 100 GLU H H 100 7.702 7.702 7.963 -0.261 17992 417 1 1 . 1 1 101 101 LEU N N 101 118.218 118.218 120.904 -2.686 17992 418 1 1 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.300 -0.145 17992 419 1 1 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.644 -0.908 17992 420 1 1 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.536 -0.497 17992 421 1 1 . 1 1 101 101 LEU H H 101 7.751 7.751 7.782 -0.031 17992 422 1 1 . 1 1 102 102 ILE N N 102 119.412 119.412 111.593 7.819 17992 423 1 1 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.603 -0.876 17992 424 1 1 . 1 1 102 102 ILE CA C 102 61.809 61.809 57.445 4.364 17992 425 1 1 . 1 1 102 102 ILE H H 102 7.559 7.559 7.850 -0.291 17992 426 1 1 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.602 -0.015 17992 427 1 1 . 1 1 103 103 PRO CA C 103 64.289 64.289 63.023 1.266 17992 428 1 1 . 1 1 103 103 PRO CB C 103 31.886 31.886 32.598 -0.712 17992 429 1 1 . 1 1 104 104 SER N N 104 112.794 112.794 116.924 -4.130 17992 430 1 1 . 1 1 104 104 SER HA H 104 4.571 4.571 4.562 0.009 17992 431 1 1 . 1 1 104 104 SER CA C 104 59.286 59.286 58.288 0.997 17992 432 1 1 . 1 1 104 104 SER CB C 104 63.849 63.849 65.171 -1.323 17992 433 1 1 . 1 1 104 104 SER H H 104 8.100 8.100 8.289 -0.189 17992 434 1 1 . 1 1 105 105 THR N N 105 114.655 114.655 117.898 -3.243 17992 435 1 1 . 1 1 105 105 THR HA H 105 4.318 4.318 4.116 0.202 17992 436 1 1 . 1 1 105 105 THR CA C 105 64.056 64.056 63.039 1.017 17992 437 1 1 . 1 1 105 105 THR CB C 105 69.861 69.861 68.620 1.241 17992 438 1 1 . 1 1 105 105 THR H H 105 8.186 8.186 8.741 -0.555 17992 439 1 1 . 1 1 106 106 SER N N 106 116.165 116.165 119.160 -2.995 17992 440 1 1 . 1 1 106 106 SER HA H 106 4.344 4.344 4.392 -0.048 17992 441 1 1 . 1 1 106 106 SER CA C 106 60.864 60.864 59.211 1.653 17992 442 1 1 . 1 1 106 106 SER CB C 106 63.462 63.462 63.267 0.195 17992 443 1 1 . 1 1 106 106 SER H H 106 8.200 8.200 8.684 -0.484 17992 444 1 1 . 1 1 107 107 SER N N 107 116.732 116.732 116.591 0.141 17992 445 1 1 . 1 1 107 107 SER HA H 107 4.413 4.413 4.438 -0.025 17992 446 1 1 . 1 1 107 107 SER CA C 107 60.051 60.051 59.932 0.119 17992 447 1 1 . 1 1 107 107 SER CB C 107 63.921 63.921 63.512 0.409 17992 448 1 1 . 1 1 107 107 SER H H 107 8.114 8.114 7.940 0.174 17992 449 1 1 . 1 1 108 108 ALA N N 108 122.523 122.523 123.892 -1.369 17992 450 1 1 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.394 0.040 17992 451 1 1 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.087 -0.605 17992 452 1 1 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.218 1.113 17992 453 1 1 . 1 1 108 108 ALA H H 108 8.022 8.022 8.155 -0.133 17992 454 1 1 . 1 1 109 109 VAL N N 109 117.146 117.146 120.611 -3.465 17992 455 1 1 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.810 -0.022 17992 456 1 1 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.149 -1.314 17992 457 1 1 . 1 1 109 109 VAL H H 109 7.829 7.829 7.725 0.104 17992 458 1 1 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.365 0.115 17992 459 1 1 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.039 0.406 17992 460 1 1 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.277 0.102 17992 461 1 1 . 1 1 111 111 LEU N N 111 117.393 117.393 119.771 -2.378 17992 462 1 1 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.223 -0.010 17992 463 1 1 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.953 0.829 17992 464 1 1 . 1 1 111 111 LEU CB C 111 42.448 42.448 41.697 0.751 17992 465 1 1 . 1 1 111 111 LEU H H 111 7.538 7.538 7.342 0.196 17992 466 1 1 . 1 1 112 112 ILE N N 112 117.001 117.001 115.490 1.511 17992 467 1 1 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.880 0.121 17992 468 1 1 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.763 -0.137 17992 469 1 1 . 1 1 112 112 ILE H H 112 8.118 8.118 8.415 -0.297 17992 470 1 1 . 1 1 113 113 GLY N N 113 106.840 106.840 108.660 -1.820 17992 471 1 1 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.160 0.612 17992 472 1 1 . 1 1 113 113 GLY H H 113 8.409 8.409 8.011 0.398 17992 473 1 1 . 1 1 114 114 LYS N N 114 120.736 120.736 121.020 -0.284 17992 474 1 1 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.153 -0.033 17992 475 1 1 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.505 0.633 17992 476 1 1 . 1 1 114 114 LYS H H 114 7.847 7.847 7.825 0.022 17992 477 1 1 . 1 1 115 115 TYR N N 115 117.055 117.055 119.949 -2.894 17992 478 1 1 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.299 -0.027 17992 479 1 1 . 1 1 115 115 TYR CA C 115 60.430 60.430 61.364 -0.934 17992 480 1 1 . 1 1 115 115 TYR H H 115 7.891 7.891 7.775 0.116 17992 481 1 1 . 1 1 116 116 MET H H 116 8.170 8.170 8.709 -0.539 17992 482 1 1 . 1 1 117 117 LEU N N 117 117.768 117.768 118.678 -0.910 17992 483 1 1 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.028 -0.119 17992 484 1 1 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.180 1.414 17992 485 1 1 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.696 -0.360 17992 486 1 1 . 1 1 117 117 LEU H H 117 7.781 7.781 7.685 0.096 17992 487 1 1 . 1 1 118 118 PHE N N 118 118.204 118.204 120.422 -2.218 17992 488 1 1 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.129 0.299 17992 489 1 1 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.519 -0.784 17992 490 1 1 . 1 1 118 118 PHE H H 118 8.024 8.024 7.697 0.327 17992 491 1 1 . 1 1 119 119 THR N N 119 114.941 114.941 114.028 0.913 17992 492 1 1 . 1 1 119 119 THR HA H 119 3.972 3.972 4.082 -0.110 17992 493 1 1 . 1 1 119 119 THR CA C 119 67.518 67.518 66.323 1.195 17992 494 1 1 . 1 1 119 119 THR CB C 119 69.194 69.194 68.153 1.041 17992 495 1 1 . 1 1 119 119 THR H H 119 8.171 8.171 7.962 0.209 17992 496 1 1 . 1 1 120 120 LYS N N 120 121.758 121.758 121.560 0.198 17992 497 1 1 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.013 -0.033 17992 498 1 1 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.105 1.705 17992 499 1 1 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.212 0.303 17992 500 1 1 . 1 1 120 120 LYS H H 120 8.359 8.359 7.387 0.972 17992 501 1 1 . 1 1 121 121 GLU N N 121 117.504 117.504 118.935 -1.431 17992 502 1 1 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.019 0.195 17992 503 1 1 . 1 1 121 121 GLU CA C 121 59.240 59.240 59.137 0.103 17992 504 1 1 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.691 -1.308 17992 505 1 1 . 1 1 121 121 GLU H H 121 8.222 8.222 8.032 0.190 17992 506 1 1 . 1 1 122 122 PHE N N 122 121.586 121.586 120.553 1.033 17992 507 1 1 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.077 0.217 17992 508 1 1 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.494 0.080 17992 509 1 1 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.157 0.202 17992 510 1 1 . 1 1 122 122 PHE H H 122 8.562 8.562 8.063 0.499 17992 511 1 1 . 1 1 123 123 VAL N N 123 121.558 121.558 119.537 2.021 17992 512 1 1 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.641 -0.125 17992 513 1 1 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.917 1.691 17992 514 1 1 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.282 0.179 17992 515 1 1 . 1 1 123 123 VAL H H 123 8.784 8.784 7.608 1.176 17992 516 1 1 . 1 1 124 124 GLU N N 124 118.314 118.314 120.366 -2.052 17992 517 1 1 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.970 0.072 17992 518 1 1 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.280 0.927 17992 519 1 1 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.258 -0.833 17992 520 1 1 . 1 1 124 124 GLU H H 124 8.564 8.564 8.252 0.312 17992 521 1 1 . 1 1 125 125 SER N N 125 114.779 114.779 115.373 -0.594 17992 522 1 1 . 1 1 125 125 SER HA H 125 4.265 4.265 3.995 0.270 17992 523 1 1 . 1 1 125 125 SER CA C 125 62.342 62.342 61.376 0.966 17992 524 1 1 . 1 1 125 125 SER CB C 125 63.162 63.162 61.933 1.229 17992 525 1 1 . 1 1 125 125 SER H H 125 8.348 8.348 8.195 0.153 17992 526 1 1 . 1 1 126 126 SER N N 126 118.464 118.464 117.989 0.475 17992 527 1 1 . 1 1 126 126 SER HA H 126 4.069 4.069 4.296 -0.227 17992 528 1 1 . 1 1 126 126 SER CA C 126 62.846 62.846 61.736 1.110 17992 529 1 1 . 1 1 126 126 SER H H 126 8.144 8.144 7.786 0.358 17992 530 1 1 . 1 1 127 127 ILE N N 127 124.705 124.705 121.419 3.286 17992 531 1 1 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.051 -0.370 17992 532 1 1 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.553 2.088 17992 533 1 1 . 1 1 127 127 ILE CB C 127 38.034 38.034 38.001 0.033 17992 534 1 1 . 1 1 127 127 ILE H H 127 8.280 8.280 7.868 0.412 17992 535 1 1 . 1 1 128 128 LYS N N 128 119.907 119.907 120.269 -0.362 17992 536 1 1 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.132 0.753 17992 537 1 1 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.080 0.168 17992 538 1 1 . 1 1 128 128 LYS H H 128 7.741 7.741 7.656 0.085 17992 539 1 1 . 1 1 129 129 ILE N N 129 118.807 118.807 116.970 1.837 17992 540 1 1 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.950 0.157 17992 541 1 1 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.971 -0.579 17992 542 1 1 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.596 -0.546 17992 543 1 1 . 1 1 129 129 ILE H H 129 8.215 8.215 8.107 0.108 17992 544 1 1 . 1 1 130 130 THR N N 130 117.328 117.328 114.339 2.989 17992 545 1 1 . 1 1 130 130 THR HA H 130 3.921 3.921 3.851 0.070 17992 546 1 1 . 1 1 130 130 THR CA C 130 68.210 68.210 66.106 2.104 17992 547 1 1 . 1 1 130 130 THR H H 130 7.988 7.988 7.645 0.343 17992 548 1 1 . 1 1 131 131 GLU N N 131 118.968 118.968 122.175 -3.207 17992 549 1 1 . 1 1 131 131 GLU HA H 131 3.978 3.978 3.989 -0.011 17992 550 1 1 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.031 0.569 17992 551 1 1 . 1 1 131 131 GLU H H 131 8.439 8.439 8.144 0.295 17992 552 1 1 . 1 1 132 132 GLU N N 132 118.712 118.712 118.014 0.698 17992 553 1 1 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.209 0.017 17992 554 1 1 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.130 1.137 17992 555 1 1 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.091 -1.472 17992 556 1 1 . 1 1 132 132 GLU H H 132 7.987 7.987 7.828 0.159 17992 557 1 1 . 1 1 133 133 VAL N N 133 120.060 120.060 120.053 0.007 17992 558 1 1 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.969 -0.102 17992 559 1 1 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.864 1.466 17992 560 1 1 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.523 -0.367 17992 561 1 1 . 1 1 133 133 VAL H H 133 8.341 8.341 7.895 0.446 17992 562 1 1 . 1 1 134 134 ILE N N 134 119.699 119.699 120.537 -0.838 17992 563 1 1 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.995 -0.135 17992 564 1 1 . 1 1 134 134 ILE CA C 134 65.184 65.184 61.851 3.333 17992 565 1 1 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.899 0.003 17992 566 1 1 . 1 1 134 134 ILE H H 134 8.331 8.331 7.718 0.613 17992 567 1 1 . 1 1 135 135 ASN N N 135 117.396 117.396 116.235 1.161 17992 568 1 1 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.662 0.013 17992 569 1 1 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.330 0.175 17992 570 1 1 . 1 1 135 135 ASN CB C 135 39.127 39.127 39.015 0.112 17992 571 1 1 . 1 1 135 135 ASN H H 135 8.318 8.318 7.966 0.352 17992 572 1 1 . 1 1 136 136 THR N N 136 111.419 111.419 110.704 0.715 17992 573 1 1 . 1 1 136 136 THR HA H 136 4.308 4.308 4.426 -0.118 17992 574 1 1 . 1 1 136 136 THR CA C 136 63.872 63.872 64.480 -0.608 17992 575 1 1 . 1 1 136 136 THR CB C 136 69.779 69.779 70.003 -0.224 17992 576 1 1 . 1 1 136 136 THR H H 136 8.006 8.006 7.535 0.471 17992 577 1 1 . 1 1 137 137 HIS N N 137 118.612 118.612 122.307 -3.695 17992 578 1 1 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.492 0.211 17992 579 1 1 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.115 -2.655 17992 580 1 1 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.989 -1.277 17992 581 1 1 . 1 1 137 137 HIS H H 137 8.013 8.013 8.328 -0.315 17992 582 1 1 . 1 1 138 138 HIS N N 138 118.709 118.709 116.074 2.635 17992 583 1 1 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.184 0.642 17992 584 1 1 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.925 -2.410 17992 585 1 1 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.212 -0.966 17992 586 1 1 . 1 1 138 138 HIS H H 138 8.169 8.169 7.847 0.322 17992 587 1 1 . 1 1 139 139 ARG N N 139 123.025 123.025 118.973 4.052 17992 588 1 1 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.353 0.213 17992 589 1 1 . 1 1 139 139 ARG CA C 139 56.394 56.394 56.491 -0.097 17992 590 1 1 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.785 0.236 17992 591 1 1 . 1 1 139 139 ARG H H 139 8.419 8.419 7.981 0.438 17992 592 1 2 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.744 -0.006 17992 593 1 2 . 1 1 8 8 HIS CA C 8 55.776 55.776 54.808 0.968 17992 594 1 2 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.783 -0.439 17992 595 1 2 . 1 1 8 8 HIS H H 8 8.686 8.686 7.463 1.223 17992 596 1 2 . 1 1 9 9 ALA N N 9 124.079 124.079 125.413 -1.334 17992 597 1 2 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.396 -0.009 17992 598 1 2 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.985 0.302 17992 599 1 2 . 1 1 9 9 ALA CB C 9 19.175 19.175 19.761 -0.586 17992 600 1 2 . 1 1 9 9 ALA H H 9 8.457 8.457 8.492 -0.035 17992 601 1 2 . 1 1 10 10 MET N N 10 120.430 120.430 118.838 1.592 17992 602 1 2 . 1 1 10 10 MET HA H 10 4.390 4.390 4.307 0.083 17992 603 1 2 . 1 1 10 10 MET CA C 10 57.753 57.753 58.604 -0.851 17992 604 1 2 . 1 1 10 10 MET CB C 10 32.355 32.355 33.135 -0.780 17992 605 1 2 . 1 1 10 10 MET H H 10 8.545 8.545 8.169 0.376 17992 606 1 2 . 1 1 11 11 VAL N N 11 119.159 119.159 113.918 5.241 17992 607 1 2 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.767 0.249 17992 608 1 2 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.099 2.172 17992 609 1 2 . 1 1 11 11 VAL CB C 11 31.611 31.611 30.843 0.768 17992 610 1 2 . 1 1 11 11 VAL H H 11 8.339 8.339 7.584 0.755 17992 611 1 2 . 1 1 12 12 ILE N N 12 119.461 119.461 120.029 -0.568 17992 612 1 2 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.074 -0.121 17992 613 1 2 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.710 0.624 17992 614 1 2 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.279 -0.784 17992 615 1 2 . 1 1 12 12 ILE H H 12 7.705 7.705 7.778 -0.073 17992 616 1 2 . 1 1 13 13 ASP N N 13 119.460 119.460 119.782 -0.322 17992 617 1 2 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.547 -0.163 17992 618 1 2 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.445 1.079 17992 619 1 2 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.951 -1.539 17992 620 1 2 . 1 1 13 13 ASP H H 13 8.172 8.172 7.800 0.372 17992 621 1 2 . 1 1 14 14 HIS N N 14 116.421 116.421 117.692 -1.271 17992 622 1 2 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.406 0.134 17992 623 1 2 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.493 0.255 17992 624 1 2 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.316 -1.664 17992 625 1 2 . 1 1 14 14 HIS H H 14 8.138 8.138 8.039 0.099 17992 626 1 2 . 1 1 15 15 ILE N N 15 119.970 119.970 119.715 0.255 17992 627 1 2 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.753 0.055 17992 628 1 2 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.477 0.927 17992 629 1 2 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.779 0.008 17992 630 1 2 . 1 1 15 15 ILE H H 15 8.224 8.224 7.614 0.610 17992 631 1 2 . 1 1 16 16 LEU N N 16 118.635 118.635 121.643 -3.008 17992 632 1 2 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.184 1.808 17992 633 1 2 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.187 0.599 17992 634 1 2 . 1 1 16 16 LEU H H 16 8.480 8.480 7.631 0.849 17992 635 1 2 . 1 1 17 17 LYS N N 17 118.257 118.257 117.612 0.645 17992 636 1 2 . 1 1 17 17 LYS HA H 17 4.094 4.094 3.983 0.111 17992 637 1 2 . 1 1 17 17 LYS CA C 17 59.882 59.882 58.902 0.980 17992 638 1 2 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.753 0.463 17992 639 1 2 . 1 1 17 17 LYS H H 17 8.098 8.098 7.793 0.305 17992 640 1 2 . 1 1 18 18 CYS N N 18 117.220 117.220 118.889 -1.669 17992 641 1 2 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.241 0.088 17992 642 1 2 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.794 0.424 17992 643 1 2 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.343 -0.521 17992 644 1 2 . 1 1 18 18 CYS H H 18 7.899 7.899 7.955 -0.056 17992 645 1 2 . 1 1 19 19 VAL N N 19 118.929 118.929 119.975 -1.046 17992 646 1 2 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.918 -0.193 17992 647 1 2 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.241 1.839 17992 648 1 2 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.238 -0.181 17992 649 1 2 . 1 1 19 19 VAL H H 19 8.352 8.352 7.515 0.837 17992 650 1 2 . 1 1 20 20 PHE N N 20 120.244 120.244 119.976 0.268 17992 651 1 2 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.299 -0.025 17992 652 1 2 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.722 0.904 17992 653 1 2 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.267 -0.188 17992 654 1 2 . 1 1 20 20 PHE H H 20 8.791 8.791 8.754 0.037 17992 655 1 2 . 1 1 21 21 ASP N N 21 118.761 118.761 120.370 -1.609 17992 656 1 2 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.389 -0.027 17992 657 1 2 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.520 -0.003 17992 658 1 2 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.834 -0.766 17992 659 1 2 . 1 1 21 21 ASP H H 21 8.705 8.705 7.891 0.814 17992 660 1 2 . 1 1 22 22 LYS N N 22 118.200 118.200 119.139 -0.939 17992 661 1 2 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.133 0.061 17992 662 1 2 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.011 -0.418 17992 663 1 2 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.437 -0.138 17992 664 1 2 . 1 1 22 22 LYS H H 22 7.810 7.810 7.616 0.194 17992 665 1 2 . 1 1 23 23 ILE N N 23 118.534 118.534 119.526 -0.992 17992 666 1 2 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.516 0.265 17992 667 1 2 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.340 0.756 17992 668 1 2 . 1 1 23 23 ILE H H 23 8.351 8.351 7.572 0.779 17992 669 1 2 . 1 1 24 24 CYS N N 24 117.155 117.155 116.943 0.212 17992 670 1 2 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.035 0.014 17992 671 1 2 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.882 0.617 17992 672 1 2 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.854 -1.228 17992 673 1 2 . 1 1 24 24 CYS H H 24 8.203 8.203 7.393 0.810 17992 674 1 2 . 1 1 25 25 LYS N N 25 119.995 119.995 120.537 -0.542 17992 675 1 2 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.708 -0.946 17992 676 1 2 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.381 0.004 17992 677 1 2 . 1 1 25 25 LYS H H 25 7.760 7.760 7.455 0.305 17992 678 1 2 . 1 1 26 26 ILE N N 26 119.168 119.168 119.136 0.032 17992 679 1 2 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.978 -0.004 17992 680 1 2 . 1 1 26 26 ILE CA C 26 64.106 64.106 64.012 0.094 17992 681 1 2 . 1 1 26 26 ILE CB C 26 37.556 37.556 38.022 -0.466 17992 682 1 2 . 1 1 26 26 ILE H H 26 8.055 8.055 8.188 -0.133 17992 683 1 2 . 1 1 27 27 GLY N N 27 108.257 108.257 105.510 2.747 17992 684 1 2 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.550 -0.561 17992 685 1 2 . 1 1 27 27 GLY H H 27 8.568 8.568 7.598 0.970 17992 686 1 2 . 1 1 28 28 THR N N 28 112.727 112.727 111.784 0.943 17992 687 1 2 . 1 1 28 28 THR HA H 28 3.912 3.912 4.376 -0.464 17992 688 1 2 . 1 1 28 28 THR CA C 28 64.717 64.717 63.804 0.913 17992 689 1 2 . 1 1 28 28 THR CB C 28 69.375 69.375 69.057 0.318 17992 690 1 2 . 1 1 28 28 THR H H 28 8.059 8.059 7.738 0.321 17992 691 1 2 . 1 1 29 29 GLU N N 29 120.068 120.068 122.990 -2.922 17992 692 1 2 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.433 -1.829 17992 693 1 2 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.319 -0.226 17992 694 1 2 . 1 1 29 29 GLU H H 29 8.113 8.113 7.600 0.513 17992 695 1 2 . 1 1 30 30 SER N N 30 114.882 114.882 114.720 0.162 17992 696 1 2 . 1 1 30 30 SER HA H 30 4.374 4.374 4.259 0.115 17992 697 1 2 . 1 1 30 30 SER CA C 30 60.353 60.353 61.746 -1.393 17992 698 1 2 . 1 1 30 30 SER H H 30 8.060 8.060 7.884 0.176 17992 699 1 2 . 1 1 31 31 VAL N N 31 122.098 122.098 119.514 2.584 17992 700 1 2 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.742 0.275 17992 701 1 2 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.484 -0.857 17992 702 1 2 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.416 0.569 17992 703 1 2 . 1 1 31 31 VAL H H 31 8.127 8.127 7.811 0.316 17992 704 1 2 . 1 1 32 32 GLU N N 32 120.280 120.280 119.961 0.319 17992 705 1 2 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.061 0.257 17992 706 1 2 . 1 1 32 32 GLU CA C 32 57.887 57.887 58.898 -1.011 17992 707 1 2 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.405 -0.752 17992 708 1 2 . 1 1 32 32 GLU H H 32 8.243 8.243 7.397 0.846 17992 709 1 2 . 1 1 33 33 ALA N N 33 121.715 121.715 121.570 0.145 17992 710 1 2 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.886 0.303 17992 711 1 2 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.105 0.619 17992 712 1 2 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.903 0.825 17992 713 1 2 . 1 1 33 33 ALA H H 33 8.218 8.218 7.489 0.729 17992 714 1 2 . 1 1 34 34 GLY N N 34 104.656 104.656 105.256 -0.600 17992 715 1 2 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.189 0.885 17992 716 1 2 . 1 1 34 34 GLY H H 34 8.308 8.308 7.584 0.724 17992 717 1 2 . 1 1 35 35 ARG N N 35 119.958 119.958 120.913 -0.955 17992 718 1 2 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.318 -0.042 17992 719 1 2 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.815 2.210 17992 720 1 2 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.358 0.931 17992 721 1 2 . 1 1 35 35 ARG H H 35 7.975 7.975 7.333 0.642 17992 722 1 2 . 1 1 36 36 LEU N N 36 118.931 118.931 121.101 -2.170 17992 723 1 2 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.167 0.057 17992 724 1 2 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.478 0.325 17992 725 1 2 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.382 0.811 17992 726 1 2 . 1 1 36 36 LEU H H 36 7.958 7.958 8.460 -0.502 17992 727 1 2 . 1 1 37 37 ILE N N 37 118.087 118.087 119.493 -1.406 17992 728 1 2 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.696 0.235 17992 729 1 2 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.798 0.061 17992 730 1 2 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.578 0.461 17992 731 1 2 . 1 1 37 37 ILE H H 37 7.904 7.904 7.587 0.317 17992 732 1 2 . 1 1 38 38 GLU N N 38 120.989 120.989 119.501 1.488 17992 733 1 2 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.922 0.309 17992 734 1 2 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.670 -1.225 17992 735 1 2 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.410 -0.399 17992 736 1 2 . 1 1 38 38 GLU H H 38 8.041 8.041 7.475 0.566 17992 737 1 2 . 1 1 39 39 LEU N N 39 120.111 120.111 119.530 0.581 17992 738 1 2 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.053 0.218 17992 739 1 2 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.407 0.004 17992 740 1 2 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.468 0.827 17992 741 1 2 . 1 1 39 39 LEU H H 39 8.173 8.173 7.665 0.508 17992 742 1 2 . 1 1 40 40 SER N N 40 113.806 113.806 113.372 0.434 17992 743 1 2 . 1 1 40 40 SER HA H 40 4.312 4.312 4.138 0.174 17992 744 1 2 . 1 1 40 40 SER CA C 40 60.406 60.406 60.588 -0.182 17992 745 1 2 . 1 1 40 40 SER CB C 40 63.646 63.646 63.166 0.480 17992 746 1 2 . 1 1 40 40 SER H H 40 8.031 8.031 7.557 0.474 17992 747 1 2 . 1 1 41 41 GLN N N 41 120.139 120.139 118.356 1.783 17992 748 1 2 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.226 0.170 17992 749 1 2 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.299 -0.698 17992 750 1 2 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.906 -0.521 17992 751 1 2 . 1 1 41 41 GLN H H 41 7.956 7.956 7.723 0.233 17992 752 1 2 . 1 1 42 42 GLU N N 42 119.728 119.728 117.073 2.655 17992 753 1 2 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.317 0.056 17992 754 1 2 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.803 0.286 17992 755 1 2 . 1 1 42 42 GLU CB C 42 29.355 29.355 30.694 -1.339 17992 756 1 2 . 1 1 42 42 GLU H H 42 8.114 8.114 8.441 -0.327 17992 757 1 2 . 1 1 43 43 GLY N N 43 108.655 108.655 108.253 0.402 17992 758 1 2 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.503 0.120 17992 759 1 2 . 1 1 43 43 GLY H H 43 8.325 8.325 7.932 0.393 17992 760 1 2 . 1 1 44 44 GLY N N 44 107.872 107.872 109.083 -1.211 17992 761 1 2 . 1 1 44 44 GLY CA C 44 45.487 45.487 45.533 -0.046 17992 762 1 2 . 1 1 44 44 GLY H H 44 8.105 8.105 7.603 0.502 17992 763 1 2 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.538 1.857 17992 764 1 2 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.450 0.019 17992 765 1 2 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.231 1.199 17992 766 1 2 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.908 0.413 17992 767 1 2 . 1 1 50 50 LEU N N 50 116.864 116.864 117.667 -0.803 17992 768 1 2 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.387 -0.185 17992 769 1 2 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.593 1.956 17992 770 1 2 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.149 1.550 17992 771 1 2 . 1 1 50 50 LEU H H 50 8.336 8.336 8.085 0.251 17992 772 1 2 . 1 1 51 51 TYR N N 51 118.433 118.433 121.441 -3.008 17992 773 1 2 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.109 0.056 17992 774 1 2 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.069 -0.035 17992 775 1 2 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.313 0.171 17992 776 1 2 . 1 1 51 51 TYR H H 51 7.765 7.765 7.726 0.039 17992 777 1 2 . 1 1 52 52 PHE N N 52 117.945 117.945 119.048 -1.103 17992 778 1 2 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.712 0.548 17992 779 1 2 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.128 0.123 17992 780 1 2 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.032 0.287 17992 781 1 2 . 1 1 52 52 PHE H H 52 7.873 7.873 7.725 0.148 17992 782 1 2 . 1 1 53 53 VAL N N 53 117.468 117.468 116.069 1.399 17992 783 1 2 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.544 0.108 17992 784 1 2 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.849 0.449 17992 785 1 2 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.172 0.637 17992 786 1 2 . 1 1 53 53 VAL H H 53 7.864 7.864 7.724 0.140 17992 787 1 2 . 1 1 54 54 VAL N N 54 116.929 116.929 121.412 -4.483 17992 788 1 2 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.611 0.091 17992 789 1 2 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.480 -0.413 17992 790 1 2 . 1 1 54 54 VAL CB C 54 31.801 31.801 30.977 0.824 17992 791 1 2 . 1 1 54 54 VAL H H 54 7.958 7.958 7.790 0.168 17992 792 1 2 . 1 1 55 55 ASN N N 55 115.543 115.543 117.023 -1.480 17992 793 1 2 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.637 -0.007 17992 794 1 2 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.265 0.195 17992 795 1 2 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.177 1.752 17992 796 1 2 . 1 1 55 55 ASN H H 55 7.823 7.823 8.074 -0.251 17992 797 1 2 . 1 1 56 56 VAL N N 56 116.125 116.125 118.668 -2.543 17992 798 1 2 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.624 0.473 17992 799 1 2 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.165 -1.026 17992 800 1 2 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.755 0.248 17992 801 1 2 . 1 1 56 56 VAL H H 56 7.664 7.664 7.476 0.188 17992 802 1 2 . 1 1 57 57 ILE N N 57 116.872 116.872 119.431 -2.559 17992 803 1 2 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.560 0.449 17992 804 1 2 . 1 1 57 57 ILE CA C 57 63.550 63.550 64.517 -0.967 17992 805 1 2 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.419 0.345 17992 806 1 2 . 1 1 57 57 ILE H H 57 7.587 7.587 8.376 -0.789 17992 807 1 2 . 1 1 58 58 GLU N N 58 118.190 118.190 120.703 -2.513 17992 808 1 2 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.064 0.135 17992 809 1 2 . 1 1 58 58 GLU CA C 58 60.305 60.305 62.001 -1.696 17992 810 1 2 . 1 1 58 58 GLU H H 58 8.114 8.114 7.752 0.362 17992 811 1 2 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.334 0.175 17992 812 1 2 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.208 0.354 17992 813 1 2 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.340 0.126 17992 814 1 2 . 1 1 60 60 CYS N N 60 115.035 115.035 118.043 -3.008 17992 815 1 2 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.157 0.111 17992 816 1 2 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.596 -1.484 17992 817 1 2 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.775 -0.785 17992 818 1 2 . 1 1 60 60 CYS H H 60 7.913 7.913 7.507 0.406 17992 819 1 2 . 1 1 61 61 LYS N N 61 121.184 121.184 121.415 -0.231 17992 820 1 2 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.042 0.230 17992 821 1 2 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.756 -0.667 17992 822 1 2 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.046 0.382 17992 823 1 2 . 1 1 61 61 LYS H H 61 8.197 8.197 8.308 -0.111 17992 824 1 2 . 1 1 62 62 LYS N N 62 118.253 118.253 118.050 0.203 17992 825 1 2 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.015 -1.171 17992 826 1 2 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.278 -0.188 17992 827 1 2 . 1 1 62 62 LYS H H 62 7.982 7.982 7.762 0.220 17992 828 1 2 . 1 1 63 63 PHE N N 63 118.763 118.763 117.856 0.907 17992 829 1 2 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.487 -0.232 17992 830 1 2 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.807 0.727 17992 831 1 2 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.257 -0.107 17992 832 1 2 . 1 1 63 63 PHE H H 63 8.155 8.155 7.679 0.476 17992 833 1 2 . 1 1 64 64 SER N N 64 114.881 114.881 116.782 -1.901 17992 834 1 2 . 1 1 64 64 SER HA H 64 4.268 4.268 3.731 0.537 17992 835 1 2 . 1 1 64 64 SER CA C 64 61.588 61.588 62.304 -0.716 17992 836 1 2 . 1 1 64 64 SER CB C 64 63.175 63.175 62.307 0.868 17992 837 1 2 . 1 1 64 64 SER H H 64 8.218 8.218 8.196 0.022 17992 838 1 2 . 1 1 65 65 GLU N N 65 120.937 120.937 120.877 0.060 17992 839 1 2 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.002 0.282 17992 840 1 2 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.763 -0.552 17992 841 1 2 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.224 -0.262 17992 842 1 2 . 1 1 65 65 GLU H H 65 8.067 8.067 7.920 0.147 17992 843 1 2 . 1 1 66 66 LEU N N 66 118.904 118.904 117.941 0.963 17992 844 1 2 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.068 0.195 17992 845 1 2 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.088 0.134 17992 846 1 2 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.484 0.841 17992 847 1 2 . 1 1 66 66 LEU H H 66 8.003 8.003 8.106 -0.103 17992 848 1 2 . 1 1 67 67 THR N N 67 108.190 108.190 109.368 -1.178 17992 849 1 2 . 1 1 67 67 THR HA H 67 4.043 4.043 4.253 -0.210 17992 850 1 2 . 1 1 67 67 THR CA C 67 64.579 64.579 64.699 -0.120 17992 851 1 2 . 1 1 67 67 THR CB C 67 69.410 69.410 68.289 1.121 17992 852 1 2 . 1 1 67 67 THR H H 67 7.783 7.783 7.660 0.123 17992 853 1 2 . 1 1 68 68 GLY N N 68 108.141 108.141 109.171 -1.030 17992 854 1 2 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.362 0.882 17992 855 1 2 . 1 1 68 68 GLY H H 68 7.964 7.964 7.535 0.429 17992 856 1 2 . 1 1 69 69 LEU N N 69 120.124 120.124 121.180 -1.056 17992 857 1 2 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.695 -0.343 17992 858 1 2 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.737 0.749 17992 859 1 2 . 1 1 69 69 LEU CB C 69 42.374 42.374 41.982 0.392 17992 860 1 2 . 1 1 69 69 LEU H H 69 7.749 7.749 7.364 0.385 17992 861 1 2 . 1 1 70 70 VAL N N 70 115.546 115.546 118.405 -2.859 17992 862 1 2 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.873 0.062 17992 863 1 2 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.995 -1.365 17992 864 1 2 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.302 -0.038 17992 865 1 2 . 1 1 70 70 VAL H H 70 7.607 7.607 7.477 0.130 17992 866 1 2 . 1 1 71 71 PHE N N 71 119.035 119.035 115.604 3.431 17992 867 1 2 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.299 0.259 17992 868 1 2 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.948 -1.401 17992 869 1 2 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.619 -0.319 17992 870 1 2 . 1 1 71 71 PHE H H 71 7.618 7.618 7.738 -0.120 17992 871 1 2 . 1 1 72 72 TYR N N 72 118.365 118.365 118.002 0.363 17992 872 1 2 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.591 -0.012 17992 873 1 2 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.224 -1.127 17992 874 1 2 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.786 -1.542 17992 875 1 2 . 1 1 72 72 TYR H H 72 7.740 7.740 7.946 -0.206 17992 876 1 2 . 1 1 73 73 LEU N N 73 121.184 121.184 120.803 0.381 17992 877 1 2 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.750 -0.175 17992 878 1 2 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.776 1.773 17992 879 1 2 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.596 -1.515 17992 880 1 2 . 1 1 73 73 LEU H H 73 7.713 7.713 8.315 -0.602 17992 881 1 2 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.623 0.015 17992 882 1 2 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.668 0.536 17992 883 1 2 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.181 -0.500 17992 884 1 2 . 1 1 75 75 THR N N 75 113.231 113.231 117.047 -3.816 17992 885 1 2 . 1 1 75 75 THR HA H 75 4.339 4.339 4.355 -0.016 17992 886 1 2 . 1 1 75 75 THR CA C 75 62.684 62.684 63.093 -0.409 17992 887 1 2 . 1 1 75 75 THR H H 75 8.217 8.217 8.522 -0.305 17992 888 1 2 . 1 1 76 76 ASP N N 76 120.892 120.892 118.274 2.618 17992 889 1 2 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.605 0.185 17992 890 1 2 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.731 0.508 17992 891 1 2 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.530 -2.215 17992 892 1 2 . 1 1 76 76 ASP H H 76 8.406 8.406 7.229 1.177 17992 893 1 2 . 1 1 77 77 SER N N 77 115.861 115.861 114.076 1.785 17992 894 1 2 . 1 1 77 77 SER HA H 77 4.345 4.345 4.219 0.126 17992 895 1 2 . 1 1 77 77 SER CA C 77 60.528 60.528 59.811 0.717 17992 896 1 2 . 1 1 77 77 SER CB C 77 63.812 63.812 63.550 0.262 17992 897 1 2 . 1 1 77 77 SER H H 77 8.238 8.238 8.445 -0.207 17992 898 1 2 . 1 1 78 78 GLY N N 78 110.440 110.440 106.730 3.710 17992 899 1 2 . 1 1 78 78 GLY CA C 78 46.653 46.653 44.856 1.797 17992 900 1 2 . 1 1 78 78 GLY H H 78 8.570 8.570 7.828 0.742 17992 901 1 2 . 1 1 79 79 GLU N N 79 121.242 121.242 121.778 -0.536 17992 902 1 2 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.150 0.170 17992 903 1 2 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.435 -1.417 17992 904 1 2 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.494 -0.412 17992 905 1 2 . 1 1 79 79 GLU H H 79 8.237 8.237 8.438 -0.201 17992 906 1 2 . 1 1 80 80 LYS N N 80 119.708 119.708 116.985 2.723 17992 907 1 2 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.260 0.059 17992 908 1 2 . 1 1 80 80 LYS CA C 80 57.881 57.881 57.745 0.137 17992 909 1 2 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.089 0.657 17992 910 1 2 . 1 1 80 80 LYS H H 80 8.252 8.252 8.514 -0.262 17992 911 1 2 . 1 1 81 81 MET N N 81 119.849 119.849 116.297 3.552 17992 912 1 2 . 1 1 81 81 MET HA H 81 4.367 4.367 4.373 -0.006 17992 913 1 2 . 1 1 81 81 MET CA C 81 57.845 57.845 58.486 -0.640 17992 914 1 2 . 1 1 81 81 MET CB C 81 32.658 32.658 32.014 0.644 17992 915 1 2 . 1 1 81 81 MET H H 81 8.419 8.419 7.797 0.622 17992 916 1 2 . 1 1 82 82 THR N N 82 114.947 114.947 115.314 -0.367 17992 917 1 2 . 1 1 82 82 THR HA H 82 4.132 4.132 4.052 0.080 17992 918 1 2 . 1 1 82 82 THR CA C 82 65.377 65.377 66.415 -1.038 17992 919 1 2 . 1 1 82 82 THR CB C 82 69.035 69.035 68.732 0.303 17992 920 1 2 . 1 1 82 82 THR H H 82 8.115 8.115 8.241 -0.126 17992 921 1 2 . 1 1 83 83 GLU N N 83 121.416 121.416 118.753 2.663 17992 922 1 2 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.224 0.149 17992 923 1 2 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.659 -0.595 17992 924 1 2 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.394 -0.452 17992 925 1 2 . 1 1 83 83 GLU H H 83 8.336 8.336 7.849 0.487 17992 926 1 2 . 1 1 84 84 SER N N 84 115.783 115.783 115.523 0.260 17992 927 1 2 . 1 1 84 84 SER HA H 84 4.278 4.278 4.350 -0.072 17992 928 1 2 . 1 1 84 84 SER CA C 84 61.685 61.685 61.133 0.552 17992 929 1 2 . 1 1 84 84 SER H H 84 8.191 8.191 8.186 0.005 17992 930 1 2 . 1 1 85 85 LYS N N 85 121.318 121.318 120.560 0.758 17992 931 1 2 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.063 0.022 17992 932 1 2 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.473 0.315 17992 933 1 2 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.179 0.251 17992 934 1 2 . 1 1 85 85 LYS H H 85 8.113 8.113 7.581 0.532 17992 935 1 2 . 1 1 86 86 SER N N 86 115.042 115.042 114.123 0.919 17992 936 1 2 . 1 1 86 86 SER HA H 86 4.389 4.389 4.384 0.005 17992 937 1 2 . 1 1 86 86 SER CA C 86 61.437 61.437 60.824 0.613 17992 938 1 2 . 1 1 86 86 SER CB C 86 63.116 63.116 63.053 0.063 17992 939 1 2 . 1 1 86 86 SER H H 86 8.066 8.066 7.653 0.413 17992 940 1 2 . 1 1 87 87 VAL N N 87 122.920 122.920 122.327 0.593 17992 941 1 2 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.854 0.526 17992 942 1 2 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.629 0.493 17992 943 1 2 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.513 -0.134 17992 944 1 2 . 1 1 87 87 VAL H H 87 8.103 8.103 7.176 0.927 17992 945 1 2 . 1 1 88 88 LEU N N 88 119.501 119.501 117.929 1.572 17992 946 1 2 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.071 0.051 17992 947 1 2 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.221 0.685 17992 948 1 2 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.299 0.645 17992 949 1 2 . 1 1 88 88 LEU H H 88 8.146 8.146 7.696 0.450 17992 950 1 2 . 1 1 89 89 LYS N N 89 120.285 120.285 119.054 1.231 17992 951 1 2 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.095 -0.000 17992 952 1 2 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.709 1.178 17992 953 1 2 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.111 0.115 17992 954 1 2 . 1 1 89 89 LYS H H 89 8.245 8.245 7.575 0.670 17992 955 1 2 . 1 1 90 90 SER N N 90 115.131 115.131 114.134 0.997 17992 956 1 2 . 1 1 90 90 SER HA H 90 4.362 4.362 4.317 0.045 17992 957 1 2 . 1 1 90 90 SER CA C 90 61.815 61.815 60.123 1.692 17992 958 1 2 . 1 1 90 90 SER H H 90 8.037 8.037 7.727 0.310 17992 959 1 2 . 1 1 91 91 LEU N N 91 120.855 120.855 121.768 -0.913 17992 960 1 2 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.246 -0.098 17992 961 1 2 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.377 1.036 17992 962 1 2 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.882 0.293 17992 963 1 2 . 1 1 91 91 LEU H H 91 8.445 8.445 7.259 1.186 17992 964 1 2 . 1 1 92 92 THR N N 92 112.933 112.933 115.501 -2.568 17992 965 1 2 . 1 1 92 92 THR HA H 92 3.904 3.904 3.872 0.032 17992 966 1 2 . 1 1 92 92 THR CA C 92 67.390 67.390 67.138 0.252 17992 967 1 2 . 1 1 92 92 THR CB C 92 69.367 69.367 68.628 0.739 17992 968 1 2 . 1 1 92 92 THR H H 92 8.383 8.383 7.707 0.676 17992 969 1 2 . 1 1 93 93 GLU N N 93 120.387 120.387 120.310 0.077 17992 970 1 2 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.546 -0.059 17992 971 1 2 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.482 -0.337 17992 972 1 2 . 1 1 93 93 GLU H H 93 7.971 7.971 8.213 -0.242 17992 973 1 2 . 1 1 94 94 LYS N N 94 118.470 118.470 117.278 1.192 17992 974 1 2 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.177 -0.011 17992 975 1 2 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.186 0.860 17992 976 1 2 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.580 -0.233 17992 977 1 2 . 1 1 94 94 LYS H H 94 7.804 7.804 7.894 -0.090 17992 978 1 2 . 1 1 95 95 LEU N N 95 118.397 118.397 119.334 -0.937 17992 979 1 2 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.288 -0.129 17992 980 1 2 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.288 1.589 17992 981 1 2 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.234 -0.285 17992 982 1 2 . 1 1 95 95 LEU H H 95 8.256 8.256 7.370 0.886 17992 983 1 2 . 1 1 96 96 LYS N N 96 117.747 117.747 117.590 0.157 17992 984 1 2 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.132 -0.192 17992 985 1 2 . 1 1 96 96 LYS CA C 96 60.282 60.282 58.718 1.564 17992 986 1 2 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.518 -0.169 17992 987 1 2 . 1 1 96 96 LYS H H 96 8.105 8.105 8.225 -0.120 17992 988 1 2 . 1 1 97 97 LYS N N 97 116.451 116.451 120.379 -3.928 17992 989 1 2 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.187 -0.020 17992 990 1 2 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.829 0.714 17992 991 1 2 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.875 0.276 17992 992 1 2 . 1 1 97 97 LYS H H 97 7.520 7.520 7.486 0.034 17992 993 1 2 . 1 1 98 98 ILE N N 98 117.587 117.587 121.175 -3.588 17992 994 1 2 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.771 0.159 17992 995 1 2 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.763 0.536 17992 996 1 2 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.087 -0.338 17992 997 1 2 . 1 1 98 98 ILE H H 98 7.782 7.782 7.884 -0.102 17992 998 1 2 . 1 1 99 99 VAL N N 99 116.989 116.989 117.852 -0.863 17992 999 1 2 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.634 0.191 17992 1000 1 2 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.230 0.733 17992 1001 1 2 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.419 0.063 17992 1002 1 2 . 1 1 99 99 VAL H H 99 7.917 7.917 7.383 0.534 17992 1003 1 2 . 1 1 100 100 GLU N N 100 116.782 116.782 118.797 -2.015 17992 1004 1 2 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.203 0.010 17992 1005 1 2 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.962 0.012 17992 1006 1 2 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.373 -1.450 17992 1007 1 2 . 1 1 100 100 GLU H H 100 7.702 7.702 7.982 -0.280 17992 1008 1 2 . 1 1 101 101 LEU N N 101 118.218 118.218 119.330 -1.112 17992 1009 1 2 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.315 -0.160 17992 1010 1 2 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.755 -1.018 17992 1011 1 2 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.897 -0.858 17992 1012 1 2 . 1 1 101 101 LEU H H 101 7.751 7.751 7.747 0.004 17992 1013 1 2 . 1 1 102 102 ILE N N 102 119.412 119.412 118.241 1.171 17992 1014 1 2 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.430 -0.703 17992 1015 1 2 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.662 3.147 17992 1016 1 2 . 1 1 102 102 ILE H H 102 7.559 7.559 7.944 -0.385 17992 1017 1 2 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.681 -0.094 17992 1018 1 2 . 1 1 103 103 PRO CA C 103 64.289 64.289 63.030 1.259 17992 1019 1 2 . 1 1 103 103 PRO CB C 103 31.886 31.886 33.032 -1.146 17992 1020 1 2 . 1 1 104 104 SER N N 104 112.794 112.794 115.126 -2.332 17992 1021 1 2 . 1 1 104 104 SER HA H 104 4.571 4.571 4.633 -0.062 17992 1022 1 2 . 1 1 104 104 SER CA C 104 59.286 59.286 58.715 0.571 17992 1023 1 2 . 1 1 104 104 SER CB C 104 63.849 63.849 64.556 -0.707 17992 1024 1 2 . 1 1 104 104 SER H H 104 8.100 8.100 8.476 -0.376 17992 1025 1 2 . 1 1 105 105 THR N N 105 114.655 114.655 114.479 0.176 17992 1026 1 2 . 1 1 105 105 THR HA H 105 4.318 4.318 4.592 -0.274 17992 1027 1 2 . 1 1 105 105 THR CA C 105 64.056 64.056 60.928 3.128 17992 1028 1 2 . 1 1 105 105 THR CB C 105 69.861 69.861 71.039 -1.178 17992 1029 1 2 . 1 1 105 105 THR H H 105 8.186 8.186 7.872 0.314 17992 1030 1 2 . 1 1 106 106 SER N N 106 116.165 116.165 117.656 -1.491 17992 1031 1 2 . 1 1 106 106 SER HA H 106 4.344 4.344 4.625 -0.281 17992 1032 1 2 . 1 1 106 106 SER CA C 106 60.864 60.864 58.684 2.180 17992 1033 1 2 . 1 1 106 106 SER CB C 106 63.462 63.462 63.357 0.105 17992 1034 1 2 . 1 1 106 106 SER H H 106 8.200 8.200 8.752 -0.552 17992 1035 1 2 . 1 1 107 107 SER N N 107 116.732 116.732 117.286 -0.554 17992 1036 1 2 . 1 1 107 107 SER HA H 107 4.413 4.413 4.459 -0.046 17992 1037 1 2 . 1 1 107 107 SER CA C 107 60.051 60.051 60.608 -0.557 17992 1038 1 2 . 1 1 107 107 SER CB C 107 63.921 63.921 63.848 0.073 17992 1039 1 2 . 1 1 107 107 SER H H 107 8.114 8.114 7.618 0.496 17992 1040 1 2 . 1 1 108 108 ALA N N 108 122.523 122.523 123.420 -0.897 17992 1041 1 2 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.313 0.121 17992 1042 1 2 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.455 -0.973 17992 1043 1 2 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.161 1.170 17992 1044 1 2 . 1 1 108 108 ALA H H 108 8.022 8.022 7.688 0.334 17992 1045 1 2 . 1 1 109 109 VAL N N 109 117.146 117.146 120.397 -3.251 17992 1046 1 2 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.705 0.083 17992 1047 1 2 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.341 -1.506 17992 1048 1 2 . 1 1 109 109 VAL H H 109 7.829 7.829 8.373 -0.544 17992 1049 1 2 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.292 0.188 17992 1050 1 2 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.423 0.022 17992 1051 1 2 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.252 0.127 17992 1052 1 2 . 1 1 111 111 LEU N N 111 117.393 117.393 119.319 -1.926 17992 1053 1 2 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.185 0.028 17992 1054 1 2 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.228 0.554 17992 1055 1 2 . 1 1 111 111 LEU CB C 111 42.448 42.448 41.506 0.942 17992 1056 1 2 . 1 1 111 111 LEU H H 111 7.538 7.538 7.275 0.263 17992 1057 1 2 . 1 1 112 112 ILE N N 112 117.001 117.001 119.507 -2.506 17992 1058 1 2 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.791 0.210 17992 1059 1 2 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.559 0.067 17992 1060 1 2 . 1 1 112 112 ILE H H 112 8.118 8.118 8.698 -0.580 17992 1061 1 2 . 1 1 113 113 GLY N N 113 106.840 106.840 106.713 0.127 17992 1062 1 2 . 1 1 113 113 GLY CA C 113 47.772 47.772 46.798 0.974 17992 1063 1 2 . 1 1 113 113 GLY H H 113 8.409 8.409 7.830 0.579 17992 1064 1 2 . 1 1 114 114 LYS N N 114 120.736 120.736 121.340 -0.604 17992 1065 1 2 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.192 -0.072 17992 1066 1 2 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.705 0.433 17992 1067 1 2 . 1 1 114 114 LYS H H 114 7.847 7.847 8.085 -0.238 17992 1068 1 2 . 1 1 115 115 TYR N N 115 117.055 117.055 119.430 -2.375 17992 1069 1 2 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.350 -0.078 17992 1070 1 2 . 1 1 115 115 TYR CA C 115 60.430 60.430 61.064 -0.634 17992 1071 1 2 . 1 1 115 115 TYR H H 115 7.891 7.891 7.431 0.460 17992 1072 1 2 . 1 1 116 116 MET H H 116 8.170 8.170 7.861 0.309 17992 1073 1 2 . 1 1 117 117 LEU N N 117 117.768 117.768 119.960 -2.192 17992 1074 1 2 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.007 -0.098 17992 1075 1 2 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.225 1.369 17992 1076 1 2 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.675 -0.339 17992 1077 1 2 . 1 1 117 117 LEU H H 117 7.781 7.781 7.749 0.032 17992 1078 1 2 . 1 1 118 118 PHE N N 118 118.204 118.204 118.733 -0.529 17992 1079 1 2 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.227 0.201 17992 1080 1 2 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.095 -0.360 17992 1081 1 2 . 1 1 118 118 PHE H H 118 8.024 8.024 7.944 0.080 17992 1082 1 2 . 1 1 119 119 THR N N 119 114.941 114.941 112.999 1.942 17992 1083 1 2 . 1 1 119 119 THR HA H 119 3.972 3.972 4.331 -0.359 17992 1084 1 2 . 1 1 119 119 THR CA C 119 67.518 67.518 65.866 1.652 17992 1085 1 2 . 1 1 119 119 THR CB C 119 69.194 69.194 68.936 0.258 17992 1086 1 2 . 1 1 119 119 THR H H 119 8.171 8.171 8.057 0.114 17992 1087 1 2 . 1 1 120 120 LYS N N 120 121.758 121.758 122.423 -0.665 17992 1088 1 2 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.991 -0.011 17992 1089 1 2 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.719 1.091 17992 1090 1 2 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.130 0.385 17992 1091 1 2 . 1 1 120 120 LYS H H 120 8.359 8.359 7.551 0.808 17992 1092 1 2 . 1 1 121 121 GLU N N 121 117.504 117.504 118.785 -1.281 17992 1093 1 2 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.096 0.118 17992 1094 1 2 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.373 0.867 17992 1095 1 2 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.356 -0.973 17992 1096 1 2 . 1 1 121 121 GLU H H 121 8.222 8.222 7.933 0.289 17992 1097 1 2 . 1 1 122 122 PHE N N 122 121.586 121.586 118.069 3.517 17992 1098 1 2 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.251 0.043 17992 1099 1 2 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.478 1.096 17992 1100 1 2 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.230 0.130 17992 1101 1 2 . 1 1 122 122 PHE H H 122 8.562 8.562 7.702 0.860 17992 1102 1 2 . 1 1 123 123 VAL N N 123 121.558 121.558 116.020 5.538 17992 1103 1 2 . 1 1 123 123 VAL HA H 123 3.516 3.516 4.235 -0.719 17992 1104 1 2 . 1 1 123 123 VAL CA C 123 67.608 67.608 64.409 3.200 17992 1105 1 2 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.732 -0.271 17992 1106 1 2 . 1 1 123 123 VAL H H 123 8.784 8.784 7.513 1.271 17992 1107 1 2 . 1 1 124 124 GLU N N 124 118.314 118.314 121.893 -3.579 17992 1108 1 2 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.012 0.030 17992 1109 1 2 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.526 0.680 17992 1110 1 2 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.715 -0.290 17992 1111 1 2 . 1 1 124 124 GLU H H 124 8.564 8.564 8.147 0.417 17992 1112 1 2 . 1 1 125 125 SER N N 125 114.779 114.779 114.797 -0.018 17992 1113 1 2 . 1 1 125 125 SER HA H 125 4.265 4.265 4.186 0.079 17992 1114 1 2 . 1 1 125 125 SER CA C 125 62.342 62.342 61.149 1.193 17992 1115 1 2 . 1 1 125 125 SER CB C 125 63.162 63.162 62.785 0.377 17992 1116 1 2 . 1 1 125 125 SER H H 125 8.348 8.348 7.880 0.468 17992 1117 1 2 . 1 1 126 126 SER N N 126 118.464 118.464 117.838 0.626 17992 1118 1 2 . 1 1 126 126 SER HA H 126 4.069 4.069 4.255 -0.186 17992 1119 1 2 . 1 1 126 126 SER CA C 126 62.846 62.846 61.744 1.102 17992 1120 1 2 . 1 1 126 126 SER H H 126 8.144 8.144 8.305 -0.161 17992 1121 1 2 . 1 1 127 127 ILE N N 127 124.705 124.705 122.401 2.304 17992 1122 1 2 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.005 -0.324 17992 1123 1 2 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.954 1.687 17992 1124 1 2 . 1 1 127 127 ILE CB C 127 38.034 38.034 38.097 -0.063 17992 1125 1 2 . 1 1 127 127 ILE H H 127 8.280 8.280 7.667 0.613 17992 1126 1 2 . 1 1 128 128 LYS N N 128 119.907 119.907 120.684 -0.777 17992 1127 1 2 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.501 0.384 17992 1128 1 2 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.223 0.025 17992 1129 1 2 . 1 1 128 128 LYS H H 128 7.741 7.741 7.386 0.355 17992 1130 1 2 . 1 1 129 129 ILE N N 129 118.807 118.807 116.089 2.718 17992 1131 1 2 . 1 1 129 129 ILE HA H 129 4.107 4.107 4.012 0.095 17992 1132 1 2 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.430 -0.038 17992 1133 1 2 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.502 -0.452 17992 1134 1 2 . 1 1 129 129 ILE H H 129 8.215 8.215 7.807 0.408 17992 1135 1 2 . 1 1 130 130 THR N N 130 117.328 117.328 114.504 2.824 17992 1136 1 2 . 1 1 130 130 THR HA H 130 3.921 3.921 3.955 -0.034 17992 1137 1 2 . 1 1 130 130 THR CA C 130 68.210 68.210 65.030 3.180 17992 1138 1 2 . 1 1 130 130 THR H H 130 7.988 7.988 7.549 0.439 17992 1139 1 2 . 1 1 131 131 GLU N N 131 118.968 118.968 121.665 -2.697 17992 1140 1 2 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.061 -0.083 17992 1141 1 2 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.615 0.985 17992 1142 1 2 . 1 1 131 131 GLU H H 131 8.439 8.439 8.150 0.289 17992 1143 1 2 . 1 1 132 132 GLU N N 132 118.712 118.712 118.322 0.390 17992 1144 1 2 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.196 0.030 17992 1145 1 2 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.129 1.138 17992 1146 1 2 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.144 -1.525 17992 1147 1 2 . 1 1 132 132 GLU H H 132 7.987 7.987 7.538 0.449 17992 1148 1 2 . 1 1 133 133 VAL N N 133 120.060 120.060 121.268 -1.208 17992 1149 1 2 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.821 0.046 17992 1150 1 2 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.910 1.420 17992 1151 1 2 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.253 0.903 17992 1152 1 2 . 1 1 133 133 VAL H H 133 8.341 8.341 7.572 0.769 17992 1153 1 2 . 1 1 134 134 ILE N N 134 119.699 119.699 117.511 2.188 17992 1154 1 2 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.807 0.053 17992 1155 1 2 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.912 1.272 17992 1156 1 2 . 1 1 134 134 ILE CB C 134 37.902 37.902 36.789 1.113 17992 1157 1 2 . 1 1 134 134 ILE H H 134 8.331 8.331 7.618 0.713 17992 1158 1 2 . 1 1 135 135 ASN N N 135 117.396 117.396 118.138 -0.742 17992 1159 1 2 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.487 0.188 17992 1160 1 2 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.089 -0.584 17992 1161 1 2 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.385 0.742 17992 1162 1 2 . 1 1 135 135 ASN H H 135 8.318 8.318 8.243 0.075 17992 1163 1 2 . 1 1 136 136 THR N N 136 111.419 111.419 114.509 -3.090 17992 1164 1 2 . 1 1 136 136 THR HA H 136 4.308 4.308 4.247 0.061 17992 1165 1 2 . 1 1 136 136 THR CA C 136 63.872 63.872 65.947 -2.075 17992 1166 1 2 . 1 1 136 136 THR CB C 136 69.779 69.779 68.769 1.010 17992 1167 1 2 . 1 1 136 136 THR H H 136 8.006 8.006 7.722 0.284 17992 1168 1 2 . 1 1 137 137 HIS N N 137 118.612 118.612 120.516 -1.904 17992 1169 1 2 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.356 0.347 17992 1170 1 2 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.694 -2.234 17992 1171 1 2 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.074 -1.362 17992 1172 1 2 . 1 1 137 137 HIS H H 137 8.013 8.013 7.731 0.282 17992 1173 1 2 . 1 1 138 138 HIS N N 138 118.709 118.709 116.933 1.776 17992 1174 1 2 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.454 0.372 17992 1175 1 2 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.487 -1.973 17992 1176 1 2 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.630 -1.384 17992 1177 1 2 . 1 1 138 138 HIS H H 138 8.169 8.169 8.260 -0.091 17992 1178 1 2 . 1 1 139 139 ARG N N 139 123.025 123.025 118.738 4.287 17992 1179 1 2 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.031 0.535 17992 1180 1 2 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.218 -1.824 17992 1181 1 2 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.692 0.330 17992 1182 1 2 . 1 1 139 139 ARG H H 139 8.419 8.419 7.703 0.716 17992 1183 1 3 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.830 -0.092 17992 1184 1 3 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.297 0.479 17992 1185 1 3 . 1 1 8 8 HIS CB C 8 29.344 29.344 31.289 -1.945 17992 1186 1 3 . 1 1 8 8 HIS H H 8 8.686 8.686 8.269 0.417 17992 1187 1 3 . 1 1 9 9 ALA N N 9 124.079 124.079 124.808 -0.729 17992 1188 1 3 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.489 -0.102 17992 1189 1 3 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.781 0.506 17992 1190 1 3 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.280 -1.105 17992 1191 1 3 . 1 1 9 9 ALA H H 9 8.457 8.457 8.524 -0.067 17992 1192 1 3 . 1 1 10 10 MET N N 10 120.430 120.430 119.040 1.390 17992 1193 1 3 . 1 1 10 10 MET HA H 10 4.390 4.390 4.526 -0.136 17992 1194 1 3 . 1 1 10 10 MET CA C 10 57.753 57.753 58.088 -0.335 17992 1195 1 3 . 1 1 10 10 MET CB C 10 32.355 32.355 32.091 0.264 17992 1196 1 3 . 1 1 10 10 MET H H 10 8.545 8.545 8.308 0.237 17992 1197 1 3 . 1 1 11 11 VAL N N 11 119.159 119.159 115.025 4.134 17992 1198 1 3 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.167 -0.151 17992 1199 1 3 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.419 0.852 17992 1200 1 3 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.023 0.589 17992 1201 1 3 . 1 1 11 11 VAL H H 11 8.339 8.339 8.059 0.280 17992 1202 1 3 . 1 1 12 12 ILE N N 12 119.461 119.461 120.173 -0.712 17992 1203 1 3 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.090 -0.137 17992 1204 1 3 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.085 1.249 17992 1205 1 3 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.633 -1.137 17992 1206 1 3 . 1 1 12 12 ILE H H 12 7.705 7.705 7.952 -0.247 17992 1207 1 3 . 1 1 13 13 ASP N N 13 119.460 119.460 120.698 -1.238 17992 1208 1 3 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.505 -0.121 17992 1209 1 3 . 1 1 13 13 ASP CA C 13 57.524 57.524 57.073 0.451 17992 1210 1 3 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.757 -1.345 17992 1211 1 3 . 1 1 13 13 ASP H H 13 8.172 8.172 7.936 0.235 17992 1212 1 3 . 1 1 14 14 HIS N N 14 116.421 116.421 117.936 -1.515 17992 1213 1 3 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.449 0.091 17992 1214 1 3 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.822 -0.074 17992 1215 1 3 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.009 -1.357 17992 1216 1 3 . 1 1 14 14 HIS H H 14 8.138 8.138 8.423 -0.285 17992 1217 1 3 . 1 1 15 15 ILE N N 15 119.970 119.970 119.539 0.431 17992 1218 1 3 . 1 1 15 15 ILE HA H 15 3.808 3.808 4.028 -0.220 17992 1219 1 3 . 1 1 15 15 ILE CA C 15 65.404 65.404 63.579 1.825 17992 1220 1 3 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.752 0.035 17992 1221 1 3 . 1 1 15 15 ILE H H 15 8.224 8.224 7.695 0.529 17992 1222 1 3 . 1 1 16 16 LEU N N 16 118.635 118.635 122.293 -3.658 17992 1223 1 3 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.446 1.546 17992 1224 1 3 . 1 1 16 16 LEU CA C 16 58.786 58.786 57.383 1.403 17992 1225 1 3 . 1 1 16 16 LEU H H 16 8.480 8.480 7.729 0.751 17992 1226 1 3 . 1 1 17 17 LYS N N 17 118.257 118.257 118.141 0.116 17992 1227 1 3 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.056 0.038 17992 1228 1 3 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.106 0.776 17992 1229 1 3 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.789 0.427 17992 1230 1 3 . 1 1 17 17 LYS H H 17 8.098 8.098 7.726 0.372 17992 1231 1 3 . 1 1 18 18 CYS N N 18 117.220 117.220 118.162 -0.942 17992 1232 1 3 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.309 0.020 17992 1233 1 3 . 1 1 18 18 CYS CA C 18 63.218 63.218 63.065 0.153 17992 1234 1 3 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.314 -0.492 17992 1235 1 3 . 1 1 18 18 CYS H H 18 7.899 7.899 8.054 -0.155 17992 1236 1 3 . 1 1 19 19 VAL N N 19 118.929 118.929 120.060 -1.131 17992 1237 1 3 . 1 1 19 19 VAL HA H 19 3.725 3.725 4.089 -0.364 17992 1238 1 3 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.644 2.436 17992 1239 1 3 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.730 0.327 17992 1240 1 3 . 1 1 19 19 VAL H H 19 8.352 8.352 7.240 1.112 17992 1241 1 3 . 1 1 20 20 PHE N N 20 120.244 120.244 119.914 0.330 17992 1242 1 3 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.309 -0.035 17992 1243 1 3 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.796 0.830 17992 1244 1 3 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.267 -0.187 17992 1245 1 3 . 1 1 20 20 PHE H H 20 8.791 8.791 8.759 0.032 17992 1246 1 3 . 1 1 21 21 ASP N N 21 118.761 118.761 120.351 -1.590 17992 1247 1 3 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.433 -0.070 17992 1248 1 3 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.319 0.197 17992 1249 1 3 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.887 -0.819 17992 1250 1 3 . 1 1 21 21 ASP H H 21 8.705 8.705 7.858 0.847 17992 1251 1 3 . 1 1 22 22 LYS N N 22 118.200 118.200 119.036 -0.836 17992 1252 1 3 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.008 0.186 17992 1253 1 3 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.270 -0.677 17992 1254 1 3 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.242 0.057 17992 1255 1 3 . 1 1 22 22 LYS H H 22 7.810 7.810 7.581 0.229 17992 1256 1 3 . 1 1 23 23 ILE N N 23 118.534 118.534 118.837 -0.303 17992 1257 1 3 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.430 0.351 17992 1258 1 3 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.847 0.248 17992 1259 1 3 . 1 1 23 23 ILE H H 23 8.351 8.351 7.585 0.766 17992 1260 1 3 . 1 1 24 24 CYS N N 24 117.155 117.155 115.264 1.891 17992 1261 1 3 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.192 -0.143 17992 1262 1 3 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.302 2.197 17992 1263 1 3 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.539 -0.913 17992 1264 1 3 . 1 1 24 24 CYS H H 24 8.203 8.203 7.767 0.436 17992 1265 1 3 . 1 1 25 25 LYS N N 25 119.995 119.995 120.905 -0.910 17992 1266 1 3 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.106 -0.344 17992 1267 1 3 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.835 -0.450 17992 1268 1 3 . 1 1 25 25 LYS H H 25 7.760 7.760 7.377 0.383 17992 1269 1 3 . 1 1 26 26 ILE N N 26 119.168 119.168 116.302 2.866 17992 1270 1 3 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.734 0.240 17992 1271 1 3 . 1 1 26 26 ILE CA C 26 64.106 64.106 64.613 -0.507 17992 1272 1 3 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.153 0.404 17992 1273 1 3 . 1 1 26 26 ILE H H 26 8.055 8.055 8.536 -0.481 17992 1274 1 3 . 1 1 27 27 GLY N N 27 108.257 108.257 106.687 1.570 17992 1275 1 3 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.613 0.376 17992 1276 1 3 . 1 1 27 27 GLY H H 27 8.568 8.568 7.811 0.757 17992 1277 1 3 . 1 1 28 28 THR N N 28 112.727 112.727 114.037 -1.310 17992 1278 1 3 . 1 1 28 28 THR HA H 28 3.912 3.912 4.317 -0.405 17992 1279 1 3 . 1 1 28 28 THR CA C 28 64.717 64.717 63.953 0.764 17992 1280 1 3 . 1 1 28 28 THR CB C 28 69.375 69.375 68.925 0.450 17992 1281 1 3 . 1 1 28 28 THR H H 28 8.059 8.059 7.908 0.151 17992 1282 1 3 . 1 1 29 29 GLU N N 29 120.068 120.068 121.228 -1.160 17992 1283 1 3 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.171 -1.567 17992 1284 1 3 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.796 -0.703 17992 1285 1 3 . 1 1 29 29 GLU H H 29 8.113 8.113 7.579 0.534 17992 1286 1 3 . 1 1 30 30 SER N N 30 114.882 114.882 116.100 -1.218 17992 1287 1 3 . 1 1 30 30 SER HA H 30 4.374 4.374 4.093 0.281 17992 1288 1 3 . 1 1 30 30 SER CA C 30 60.353 60.353 61.376 -1.023 17992 1289 1 3 . 1 1 30 30 SER H H 30 8.060 8.060 7.718 0.342 17992 1290 1 3 . 1 1 31 31 VAL N N 31 122.098 122.098 120.193 1.905 17992 1291 1 3 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.692 0.325 17992 1292 1 3 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.555 -0.928 17992 1293 1 3 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.485 0.500 17992 1294 1 3 . 1 1 31 31 VAL H H 31 8.127 8.127 7.896 0.231 17992 1295 1 3 . 1 1 32 32 GLU N N 32 120.280 120.280 119.786 0.494 17992 1296 1 3 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.107 0.211 17992 1297 1 3 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.052 -1.165 17992 1298 1 3 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.382 -0.729 17992 1299 1 3 . 1 1 32 32 GLU H H 32 8.243 8.243 7.781 0.462 17992 1300 1 3 . 1 1 33 33 ALA N N 33 121.715 121.715 121.736 -0.021 17992 1301 1 3 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.941 0.248 17992 1302 1 3 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.280 0.444 17992 1303 1 3 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.980 0.748 17992 1304 1 3 . 1 1 33 33 ALA H H 33 8.218 8.218 7.627 0.591 17992 1305 1 3 . 1 1 34 34 GLY N N 34 104.656 104.656 105.259 -0.603 17992 1306 1 3 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.000 1.074 17992 1307 1 3 . 1 1 34 34 GLY H H 34 8.308 8.308 7.875 0.433 17992 1308 1 3 . 1 1 35 35 ARG N N 35 119.958 119.958 120.726 -0.768 17992 1309 1 3 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.275 0.001 17992 1310 1 3 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.471 2.554 17992 1311 1 3 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.517 0.772 17992 1312 1 3 . 1 1 35 35 ARG H H 35 7.975 7.975 7.421 0.554 17992 1313 1 3 . 1 1 36 36 LEU N N 36 118.931 118.931 121.440 -2.509 17992 1314 1 3 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.109 0.115 17992 1315 1 3 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.094 -0.291 17992 1316 1 3 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.842 0.351 17992 1317 1 3 . 1 1 36 36 LEU H H 36 7.958 7.958 8.487 -0.529 17992 1318 1 3 . 1 1 37 37 ILE N N 37 118.087 118.087 118.491 -0.404 17992 1319 1 3 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.695 0.236 17992 1320 1 3 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.392 0.467 17992 1321 1 3 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.698 0.341 17992 1322 1 3 . 1 1 37 37 ILE H H 37 7.904 7.904 7.695 0.209 17992 1323 1 3 . 1 1 38 38 GLU N N 38 120.989 120.989 120.746 0.243 17992 1324 1 3 . 1 1 38 38 GLU HA H 38 4.231 4.231 4.082 0.149 17992 1325 1 3 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.362 -0.917 17992 1326 1 3 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.482 -0.471 17992 1327 1 3 . 1 1 38 38 GLU H H 38 8.041 8.041 7.495 0.546 17992 1328 1 3 . 1 1 39 39 LEU N N 39 120.111 120.111 120.425 -0.314 17992 1329 1 3 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.064 0.207 17992 1330 1 3 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.399 0.012 17992 1331 1 3 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.544 0.750 17992 1332 1 3 . 1 1 39 39 LEU H H 39 8.173 8.173 7.862 0.311 17992 1333 1 3 . 1 1 40 40 SER N N 40 113.806 113.806 112.947 0.859 17992 1334 1 3 . 1 1 40 40 SER HA H 40 4.312 4.312 4.319 -0.007 17992 1335 1 3 . 1 1 40 40 SER CA C 40 60.406 60.406 59.703 0.703 17992 1336 1 3 . 1 1 40 40 SER CB C 40 63.646 63.646 63.742 -0.096 17992 1337 1 3 . 1 1 40 40 SER H H 40 8.031 8.031 7.696 0.335 17992 1338 1 3 . 1 1 41 41 GLN N N 41 120.139 120.139 119.965 0.174 17992 1339 1 3 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.109 0.287 17992 1340 1 3 . 1 1 41 41 GLN CA C 41 56.601 56.601 56.568 0.034 17992 1341 1 3 . 1 1 41 41 GLN CB C 41 29.385 29.385 27.382 2.003 17992 1342 1 3 . 1 1 41 41 GLN H H 41 7.956 7.956 7.518 0.438 17992 1343 1 3 . 1 1 42 42 GLU N N 42 119.728 119.728 123.437 -3.709 17992 1344 1 3 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.521 -0.148 17992 1345 1 3 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.224 0.865 17992 1346 1 3 . 1 1 42 42 GLU CB C 42 29.355 29.355 29.989 -0.634 17992 1347 1 3 . 1 1 42 42 GLU H H 42 8.114 8.114 8.240 -0.126 17992 1348 1 3 . 1 1 43 43 GLY N N 43 108.655 108.655 109.374 -0.719 17992 1349 1 3 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.202 0.421 17992 1350 1 3 . 1 1 43 43 GLY H H 43 8.325 8.325 8.576 -0.251 17992 1351 1 3 . 1 1 44 44 GLY N N 44 107.872 107.872 108.269 -0.397 17992 1352 1 3 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.992 0.495 17992 1353 1 3 . 1 1 44 44 GLY H H 44 8.105 8.105 7.958 0.147 17992 1354 1 3 . 1 1 48 48 GLY CA C 48 45.395 45.395 44.103 1.292 17992 1355 1 3 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.614 -0.145 17992 1356 1 3 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.226 1.204 17992 1357 1 3 . 1 1 49 49 PRO CB C 49 32.321 32.321 32.186 0.135 17992 1358 1 3 . 1 1 50 50 LEU N N 50 116.864 116.864 117.822 -0.958 17992 1359 1 3 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.242 -0.040 17992 1360 1 3 . 1 1 50 50 LEU CA C 50 57.549 57.549 56.855 0.694 17992 1361 1 3 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.538 0.162 17992 1362 1 3 . 1 1 50 50 LEU H H 50 8.336 8.336 7.598 0.738 17992 1363 1 3 . 1 1 51 51 TYR N N 51 118.433 118.433 120.819 -2.386 17992 1364 1 3 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.153 0.012 17992 1365 1 3 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.868 0.166 17992 1366 1 3 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.152 0.332 17992 1367 1 3 . 1 1 51 51 TYR H H 51 7.765 7.765 7.863 -0.098 17992 1368 1 3 . 1 1 52 52 PHE N N 52 117.945 117.945 120.342 -2.397 17992 1369 1 3 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.475 0.785 17992 1370 1 3 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.519 0.732 17992 1371 1 3 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.532 0.787 17992 1372 1 3 . 1 1 52 52 PHE H H 52 7.873 7.873 7.753 0.120 17992 1373 1 3 . 1 1 53 53 VAL N N 53 117.468 117.468 118.623 -1.155 17992 1374 1 3 . 1 1 53 53 VAL HA H 53 3.652 3.652 2.982 0.670 17992 1375 1 3 . 1 1 53 53 VAL CA C 53 66.298 66.298 66.014 0.284 17992 1376 1 3 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.357 0.453 17992 1377 1 3 . 1 1 53 53 VAL H H 53 7.864 7.864 7.227 0.637 17992 1378 1 3 . 1 1 54 54 VAL N N 54 116.929 116.929 120.572 -3.643 17992 1379 1 3 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.615 0.087 17992 1380 1 3 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.314 -0.247 17992 1381 1 3 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.478 0.323 17992 1382 1 3 . 1 1 54 54 VAL H H 54 7.958 7.958 7.827 0.131 17992 1383 1 3 . 1 1 55 55 ASN N N 55 115.543 115.543 116.926 -1.383 17992 1384 1 3 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.658 -0.028 17992 1385 1 3 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.301 0.159 17992 1386 1 3 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.352 0.577 17992 1387 1 3 . 1 1 55 55 ASN H H 55 7.823 7.823 7.977 -0.154 17992 1388 1 3 . 1 1 56 56 VAL N N 56 116.125 116.125 118.226 -2.101 17992 1389 1 3 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.921 0.176 17992 1390 1 3 . 1 1 56 56 VAL CA C 56 64.139 64.139 64.823 -0.684 17992 1391 1 3 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.596 -0.593 17992 1392 1 3 . 1 1 56 56 VAL H H 56 7.664 7.664 7.594 0.070 17992 1393 1 3 . 1 1 57 57 ILE N N 57 116.872 116.872 118.664 -1.792 17992 1394 1 3 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.786 0.223 17992 1395 1 3 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.955 0.595 17992 1396 1 3 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.470 1.293 17992 1397 1 3 . 1 1 57 57 ILE H H 57 7.587 7.587 7.832 -0.245 17992 1398 1 3 . 1 1 58 58 GLU N N 58 118.190 118.190 120.770 -2.580 17992 1399 1 3 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.131 0.068 17992 1400 1 3 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.907 -1.602 17992 1401 1 3 . 1 1 58 58 GLU H H 58 8.114 8.114 7.823 0.291 17992 1402 1 3 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.366 0.143 17992 1403 1 3 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.096 0.466 17992 1404 1 3 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.242 0.224 17992 1405 1 3 . 1 1 60 60 CYS N N 60 115.035 115.035 117.852 -2.817 17992 1406 1 3 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.077 0.191 17992 1407 1 3 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.973 -0.860 17992 1408 1 3 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.884 -0.894 17992 1409 1 3 . 1 1 60 60 CYS H H 60 7.913 7.913 7.452 0.461 17992 1410 1 3 . 1 1 61 61 LYS N N 61 121.184 121.184 120.213 0.971 17992 1411 1 3 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.877 0.395 17992 1412 1 3 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.050 -0.961 17992 1413 1 3 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.083 0.345 17992 1414 1 3 . 1 1 61 61 LYS H H 61 8.197 8.197 8.329 -0.132 17992 1415 1 3 . 1 1 62 62 LYS N N 62 118.253 118.253 116.780 1.473 17992 1416 1 3 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.076 -1.232 17992 1417 1 3 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.425 -0.335 17992 1418 1 3 . 1 1 62 62 LYS H H 62 7.982 7.982 7.633 0.349 17992 1419 1 3 . 1 1 63 63 PHE N N 63 118.763 118.763 117.691 1.072 17992 1420 1 3 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.521 -0.266 17992 1421 1 3 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.848 0.686 17992 1422 1 3 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.630 -0.480 17992 1423 1 3 . 1 1 63 63 PHE H H 63 8.155 8.155 7.425 0.730 17992 1424 1 3 . 1 1 64 64 SER N N 64 114.881 114.881 115.649 -0.768 17992 1425 1 3 . 1 1 64 64 SER HA H 64 4.268 4.268 4.168 0.100 17992 1426 1 3 . 1 1 64 64 SER CA C 64 61.588 61.588 62.049 -0.461 17992 1427 1 3 . 1 1 64 64 SER CB C 64 63.175 63.175 62.807 0.368 17992 1428 1 3 . 1 1 64 64 SER H H 64 8.218 8.218 8.077 0.141 17992 1429 1 3 . 1 1 65 65 GLU N N 65 120.937 120.937 120.218 0.719 17992 1430 1 3 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.102 0.182 17992 1431 1 3 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.921 -0.710 17992 1432 1 3 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.350 -0.388 17992 1433 1 3 . 1 1 65 65 GLU H H 65 8.067 8.067 7.783 0.284 17992 1434 1 3 . 1 1 66 66 LEU N N 66 118.904 118.904 117.098 1.806 17992 1435 1 3 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.034 0.229 17992 1436 1 3 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.249 -0.027 17992 1437 1 3 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.233 1.092 17992 1438 1 3 . 1 1 66 66 LEU H H 66 8.003 8.003 7.638 0.365 17992 1439 1 3 . 1 1 67 67 THR N N 67 108.190 108.190 108.938 -0.748 17992 1440 1 3 . 1 1 67 67 THR HA H 67 4.043 4.043 4.270 -0.227 17992 1441 1 3 . 1 1 67 67 THR CA C 67 64.579 64.579 65.169 -0.590 17992 1442 1 3 . 1 1 67 67 THR CB C 67 69.410 69.410 68.454 0.956 17992 1443 1 3 . 1 1 67 67 THR H H 67 7.783 7.783 7.665 0.118 17992 1444 1 3 . 1 1 68 68 GLY N N 68 108.141 108.141 108.006 0.135 17992 1445 1 3 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.375 0.869 17992 1446 1 3 . 1 1 68 68 GLY H H 68 7.964 7.964 7.601 0.363 17992 1447 1 3 . 1 1 69 69 LEU N N 69 120.124 120.124 120.925 -0.801 17992 1448 1 3 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.601 -0.249 17992 1449 1 3 . 1 1 69 69 LEU CA C 69 56.486 56.486 56.087 0.399 17992 1450 1 3 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.590 -0.216 17992 1451 1 3 . 1 1 69 69 LEU H H 69 7.749 7.749 7.663 0.086 17992 1452 1 3 . 1 1 70 70 VAL N N 70 115.546 115.546 116.941 -1.395 17992 1453 1 3 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.943 -0.008 17992 1454 1 3 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.534 -0.904 17992 1455 1 3 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.434 -0.170 17992 1456 1 3 . 1 1 70 70 VAL H H 70 7.607 7.607 7.570 0.037 17992 1457 1 3 . 1 1 71 71 PHE N N 71 119.035 119.035 115.629 3.406 17992 1458 1 3 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.573 -0.015 17992 1459 1 3 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.505 -0.958 17992 1460 1 3 . 1 1 71 71 PHE CB C 71 39.300 39.300 40.092 -0.792 17992 1461 1 3 . 1 1 71 71 PHE H H 71 7.618 7.618 7.861 -0.243 17992 1462 1 3 . 1 1 72 72 TYR N N 72 118.365 118.365 117.488 0.877 17992 1463 1 3 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.639 -0.060 17992 1464 1 3 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.638 -1.541 17992 1465 1 3 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.577 -1.333 17992 1466 1 3 . 1 1 72 72 TYR H H 72 7.740 7.740 8.044 -0.304 17992 1467 1 3 . 1 1 73 73 LEU N N 73 121.184 121.184 121.748 -0.564 17992 1468 1 3 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.833 -0.258 17992 1469 1 3 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.376 2.173 17992 1470 1 3 . 1 1 73 73 LEU CB C 73 42.081 42.081 42.691 -0.610 17992 1471 1 3 . 1 1 73 73 LEU H H 73 7.713 7.713 7.455 0.258 17992 1472 1 3 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.577 0.061 17992 1473 1 3 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.946 0.258 17992 1474 1 3 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.276 -0.595 17992 1475 1 3 . 1 1 75 75 THR N N 75 113.231 113.231 116.637 -3.406 17992 1476 1 3 . 1 1 75 75 THR HA H 75 4.339 4.339 4.448 -0.109 17992 1477 1 3 . 1 1 75 75 THR CA C 75 62.684 62.684 62.733 -0.049 17992 1478 1 3 . 1 1 75 75 THR H H 75 8.217 8.217 8.528 -0.311 17992 1479 1 3 . 1 1 76 76 ASP N N 76 120.892 120.892 118.915 1.977 17992 1480 1 3 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.697 0.093 17992 1481 1 3 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.818 0.421 17992 1482 1 3 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.704 -2.389 17992 1483 1 3 . 1 1 76 76 ASP H H 76 8.406 8.406 7.360 1.046 17992 1484 1 3 . 1 1 77 77 SER N N 77 115.861 115.861 114.269 1.592 17992 1485 1 3 . 1 1 77 77 SER HA H 77 4.345 4.345 4.326 0.019 17992 1486 1 3 . 1 1 77 77 SER CA C 77 60.528 60.528 59.756 0.772 17992 1487 1 3 . 1 1 77 77 SER CB C 77 63.812 63.812 64.013 -0.201 17992 1488 1 3 . 1 1 77 77 SER H H 77 8.238 8.238 8.580 -0.342 17992 1489 1 3 . 1 1 78 78 GLY N N 78 110.440 110.440 107.195 3.245 17992 1490 1 3 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.003 1.650 17992 1491 1 3 . 1 1 78 78 GLY H H 78 8.570 8.570 7.870 0.700 17992 1492 1 3 . 1 1 79 79 GLU N N 79 121.242 121.242 122.010 -0.768 17992 1493 1 3 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.024 0.296 17992 1494 1 3 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.475 -1.457 17992 1495 1 3 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.884 -0.802 17992 1496 1 3 . 1 1 79 79 GLU H H 79 8.237 8.237 8.541 -0.304 17992 1497 1 3 . 1 1 80 80 LYS N N 80 119.708 119.708 119.108 0.600 17992 1498 1 3 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.094 0.225 17992 1499 1 3 . 1 1 80 80 LYS CA C 80 57.881 57.881 59.187 -1.306 17992 1500 1 3 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.618 1.128 17992 1501 1 3 . 1 1 80 80 LYS H H 80 8.252 8.252 8.620 -0.368 17992 1502 1 3 . 1 1 81 81 MET N N 81 119.849 119.849 117.519 2.330 17992 1503 1 3 . 1 1 81 81 MET HA H 81 4.367 4.367 4.214 0.153 17992 1504 1 3 . 1 1 81 81 MET CA C 81 57.845 57.845 59.270 -1.425 17992 1505 1 3 . 1 1 81 81 MET CB C 81 32.658 32.658 32.134 0.524 17992 1506 1 3 . 1 1 81 81 MET H H 81 8.419 8.419 7.893 0.526 17992 1507 1 3 . 1 1 82 82 THR N N 82 114.947 114.947 114.125 0.822 17992 1508 1 3 . 1 1 82 82 THR HA H 82 4.132 4.132 4.043 0.089 17992 1509 1 3 . 1 1 82 82 THR CA C 82 65.377 65.377 66.115 -0.738 17992 1510 1 3 . 1 1 82 82 THR CB C 82 69.035 69.035 68.594 0.441 17992 1511 1 3 . 1 1 82 82 THR H H 82 8.115 8.115 8.114 0.001 17992 1512 1 3 . 1 1 83 83 GLU N N 83 121.416 121.416 119.084 2.332 17992 1513 1 3 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.221 0.152 17992 1514 1 3 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.593 -0.529 17992 1515 1 3 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.768 -0.826 17992 1516 1 3 . 1 1 83 83 GLU H H 83 8.336 8.336 8.260 0.076 17992 1517 1 3 . 1 1 84 84 SER N N 84 115.783 115.783 115.028 0.755 17992 1518 1 3 . 1 1 84 84 SER HA H 84 4.278 4.278 4.343 -0.065 17992 1519 1 3 . 1 1 84 84 SER CA C 84 61.685 61.685 60.505 1.180 17992 1520 1 3 . 1 1 84 84 SER H H 84 8.191 8.191 7.771 0.420 17992 1521 1 3 . 1 1 85 85 LYS N N 85 121.318 121.318 122.246 -0.928 17992 1522 1 3 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.186 -0.101 17992 1523 1 3 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.196 0.592 17992 1524 1 3 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.495 -0.065 17992 1525 1 3 . 1 1 85 85 LYS H H 85 8.113 8.113 7.661 0.452 17992 1526 1 3 . 1 1 86 86 SER N N 86 115.042 115.042 112.519 2.523 17992 1527 1 3 . 1 1 86 86 SER HA H 86 4.389 4.389 4.423 -0.034 17992 1528 1 3 . 1 1 86 86 SER CA C 86 61.437 61.437 60.853 0.584 17992 1529 1 3 . 1 1 86 86 SER CB C 86 63.116 63.116 63.004 0.112 17992 1530 1 3 . 1 1 86 86 SER H H 86 8.066 8.066 7.819 0.247 17992 1531 1 3 . 1 1 87 87 VAL N N 87 122.920 122.920 122.108 0.812 17992 1532 1 3 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.900 0.480 17992 1533 1 3 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.667 0.456 17992 1534 1 3 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.608 -0.230 17992 1535 1 3 . 1 1 87 87 VAL H H 87 8.103 8.103 7.783 0.320 17992 1536 1 3 . 1 1 88 88 LEU N N 88 119.501 119.501 119.243 0.258 17992 1537 1 3 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.095 0.027 17992 1538 1 3 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.931 -0.025 17992 1539 1 3 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.037 0.907 17992 1540 1 3 . 1 1 88 88 LEU H H 88 8.146 8.146 7.643 0.503 17992 1541 1 3 . 1 1 89 89 LYS N N 89 120.285 120.285 119.028 1.257 17992 1542 1 3 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.175 -0.080 17992 1543 1 3 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.182 0.705 17992 1544 1 3 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.244 -0.018 17992 1545 1 3 . 1 1 89 89 LYS H H 89 8.245 8.245 7.933 0.312 17992 1546 1 3 . 1 1 90 90 SER N N 90 115.131 115.131 114.073 1.058 17992 1547 1 3 . 1 1 90 90 SER HA H 90 4.362 4.362 4.447 -0.085 17992 1548 1 3 . 1 1 90 90 SER CA C 90 61.815 61.815 60.068 1.747 17992 1549 1 3 . 1 1 90 90 SER H H 90 8.037 8.037 7.609 0.428 17992 1550 1 3 . 1 1 91 91 LEU N N 91 120.855 120.855 121.299 -0.444 17992 1551 1 3 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.312 -0.164 17992 1552 1 3 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.877 0.536 17992 1553 1 3 . 1 1 91 91 LEU CB C 91 42.175 42.175 42.064 0.111 17992 1554 1 3 . 1 1 91 91 LEU H H 91 8.445 8.445 8.226 0.219 17992 1555 1 3 . 1 1 92 92 THR N N 92 112.933 112.933 115.614 -2.681 17992 1556 1 3 . 1 1 92 92 THR HA H 92 3.904 3.904 3.941 -0.037 17992 1557 1 3 . 1 1 92 92 THR CA C 92 67.390 67.390 66.201 1.189 17992 1558 1 3 . 1 1 92 92 THR CB C 92 69.367 69.367 68.270 1.097 17992 1559 1 3 . 1 1 92 92 THR H H 92 8.383 8.383 7.679 0.704 17992 1560 1 3 . 1 1 93 93 GLU N N 93 120.387 120.387 120.096 0.291 17992 1561 1 3 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.141 0.346 17992 1562 1 3 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.151 -0.006 17992 1563 1 3 . 1 1 93 93 GLU H H 93 7.971 7.971 8.523 -0.552 17992 1564 1 3 . 1 1 94 94 LYS N N 94 118.470 118.470 117.796 0.674 17992 1565 1 3 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.223 -0.057 17992 1566 1 3 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.841 1.205 17992 1567 1 3 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.646 -0.299 17992 1568 1 3 . 1 1 94 94 LYS H H 94 7.804 7.804 8.006 -0.202 17992 1569 1 3 . 1 1 95 95 LEU N N 95 118.397 118.397 118.904 -0.507 17992 1570 1 3 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.236 -0.077 17992 1571 1 3 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.534 1.343 17992 1572 1 3 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.187 -0.238 17992 1573 1 3 . 1 1 95 95 LEU H H 95 8.256 8.256 7.868 0.388 17992 1574 1 3 . 1 1 96 96 LYS N N 96 117.747 117.747 119.342 -1.595 17992 1575 1 3 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.041 -0.101 17992 1576 1 3 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.517 0.764 17992 1577 1 3 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.929 0.420 17992 1578 1 3 . 1 1 96 96 LYS H H 96 8.105 8.105 8.335 -0.230 17992 1579 1 3 . 1 1 97 97 LYS N N 97 116.451 116.451 119.490 -3.039 17992 1580 1 3 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.187 -0.020 17992 1581 1 3 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.405 1.138 17992 1582 1 3 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.955 0.196 17992 1583 1 3 . 1 1 97 97 LYS H H 97 7.520 7.520 7.712 -0.192 17992 1584 1 3 . 1 1 98 98 ILE N N 98 117.587 117.587 122.257 -4.670 17992 1585 1 3 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.785 0.145 17992 1586 1 3 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.898 0.401 17992 1587 1 3 . 1 1 98 98 ILE CB C 98 37.749 37.749 37.984 -0.235 17992 1588 1 3 . 1 1 98 98 ILE H H 98 7.782 7.782 7.660 0.122 17992 1589 1 3 . 1 1 99 99 VAL N N 99 116.989 116.989 118.894 -1.905 17992 1590 1 3 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.631 0.194 17992 1591 1 3 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.434 0.528 17992 1592 1 3 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.962 -0.479 17992 1593 1 3 . 1 1 99 99 VAL H H 99 7.917 7.917 7.455 0.462 17992 1594 1 3 . 1 1 100 100 GLU N N 100 116.782 116.782 118.583 -1.801 17992 1595 1 3 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.183 0.030 17992 1596 1 3 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.822 0.152 17992 1597 1 3 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.274 -1.351 17992 1598 1 3 . 1 1 100 100 GLU H H 100 7.702 7.702 8.008 -0.306 17992 1599 1 3 . 1 1 101 101 LEU N N 101 118.218 118.218 120.405 -2.187 17992 1600 1 3 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.299 -0.144 17992 1601 1 3 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.965 -1.229 17992 1602 1 3 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.814 -0.775 17992 1603 1 3 . 1 1 101 101 LEU H H 101 7.751 7.751 7.758 -0.007 17992 1604 1 3 . 1 1 102 102 ILE N N 102 119.412 119.412 116.097 3.315 17992 1605 1 3 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.418 -0.691 17992 1606 1 3 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.842 2.967 17992 1607 1 3 . 1 1 102 102 ILE H H 102 7.559 7.559 7.805 -0.246 17992 1608 1 3 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.587 0.000 17992 1609 1 3 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.722 1.567 17992 1610 1 3 . 1 1 103 103 PRO CB C 103 31.886 31.886 30.535 1.351 17992 1611 1 3 . 1 1 104 104 SER N N 104 112.794 112.794 121.360 -8.566 17992 1612 1 3 . 1 1 104 104 SER HA H 104 4.571 4.571 4.464 0.107 17992 1613 1 3 . 1 1 104 104 SER CA C 104 59.286 59.286 58.678 0.608 17992 1614 1 3 . 1 1 104 104 SER CB C 104 63.849 63.849 63.845 0.004 17992 1615 1 3 . 1 1 104 104 SER H H 104 8.100 8.100 8.016 0.084 17992 1616 1 3 . 1 1 105 105 THR N N 105 114.655 114.655 112.134 2.521 17992 1617 1 3 . 1 1 105 105 THR HA H 105 4.318 4.318 4.242 0.076 17992 1618 1 3 . 1 1 105 105 THR CA C 105 64.056 64.056 62.222 1.834 17992 1619 1 3 . 1 1 105 105 THR CB C 105 69.861 69.861 69.315 0.546 17992 1620 1 3 . 1 1 105 105 THR H H 105 8.186 8.186 8.246 -0.060 17992 1621 1 3 . 1 1 106 106 SER N N 106 116.165 116.165 115.044 1.121 17992 1622 1 3 . 1 1 106 106 SER HA H 106 4.344 4.344 4.553 -0.209 17992 1623 1 3 . 1 1 106 106 SER CA C 106 60.864 60.864 59.884 0.980 17992 1624 1 3 . 1 1 106 106 SER CB C 106 63.462 63.462 63.104 0.358 17992 1625 1 3 . 1 1 106 106 SER H H 106 8.200 8.200 8.640 -0.440 17992 1626 1 3 . 1 1 107 107 SER N N 107 116.732 116.732 117.441 -0.709 17992 1627 1 3 . 1 1 107 107 SER HA H 107 4.413 4.413 4.444 -0.031 17992 1628 1 3 . 1 1 107 107 SER CA C 107 60.051 60.051 61.206 -1.155 17992 1629 1 3 . 1 1 107 107 SER CB C 107 63.921 63.921 63.687 0.234 17992 1630 1 3 . 1 1 107 107 SER H H 107 8.114 8.114 7.902 0.212 17992 1631 1 3 . 1 1 108 108 ALA N N 108 122.523 122.523 124.277 -1.754 17992 1632 1 3 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.325 0.109 17992 1633 1 3 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.537 -1.055 17992 1634 1 3 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.389 0.942 17992 1635 1 3 . 1 1 108 108 ALA H H 108 8.022 8.022 7.562 0.460 17992 1636 1 3 . 1 1 109 109 VAL N N 109 117.146 117.146 120.404 -3.258 17992 1637 1 3 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.855 -0.067 17992 1638 1 3 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.197 -1.362 17992 1639 1 3 . 1 1 109 109 VAL H H 109 7.829 7.829 7.578 0.251 17992 1640 1 3 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.350 0.130 17992 1641 1 3 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.345 0.100 17992 1642 1 3 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.324 0.055 17992 1643 1 3 . 1 1 111 111 LEU N N 111 117.393 117.393 119.703 -2.310 17992 1644 1 3 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.126 0.087 17992 1645 1 3 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.591 0.191 17992 1646 1 3 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.319 0.129 17992 1647 1 3 . 1 1 111 111 LEU H H 111 7.538 7.538 7.235 0.303 17992 1648 1 3 . 1 1 112 112 ILE N N 112 117.001 117.001 119.722 -2.721 17992 1649 1 3 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.933 0.068 17992 1650 1 3 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.154 0.472 17992 1651 1 3 . 1 1 112 112 ILE H H 112 8.118 8.118 8.625 -0.507 17992 1652 1 3 . 1 1 113 113 GLY N N 113 106.840 106.840 106.901 -0.061 17992 1653 1 3 . 1 1 113 113 GLY CA C 113 47.772 47.772 46.636 1.136 17992 1654 1 3 . 1 1 113 113 GLY H H 113 8.409 8.409 7.920 0.489 17992 1655 1 3 . 1 1 114 114 LYS N N 114 120.736 120.736 122.602 -1.866 17992 1656 1 3 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.006 0.114 17992 1657 1 3 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.941 0.197 17992 1658 1 3 . 1 1 114 114 LYS H H 114 7.847 7.847 7.605 0.242 17992 1659 1 3 . 1 1 115 115 TYR N N 115 117.055 117.055 117.133 -0.078 17992 1660 1 3 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.444 -0.172 17992 1661 1 3 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.422 0.008 17992 1662 1 3 . 1 1 115 115 TYR H H 115 7.891 7.891 7.366 0.525 17992 1663 1 3 . 1 1 116 116 MET H H 116 8.170 8.170 7.661 0.509 17992 1664 1 3 . 1 1 117 117 LEU N N 117 117.768 117.768 119.178 -1.410 17992 1665 1 3 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.143 -0.234 17992 1666 1 3 . 1 1 117 117 LEU CA C 117 58.594 58.594 56.629 1.965 17992 1667 1 3 . 1 1 117 117 LEU CB C 117 41.336 41.336 42.146 -0.810 17992 1668 1 3 . 1 1 117 117 LEU H H 117 7.781 7.781 7.606 0.175 17992 1669 1 3 . 1 1 118 118 PHE N N 118 118.204 118.204 120.355 -2.151 17992 1670 1 3 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.121 0.307 17992 1671 1 3 . 1 1 118 118 PHE CA C 118 60.735 60.735 62.020 -1.285 17992 1672 1 3 . 1 1 118 118 PHE H H 118 8.024 8.024 7.864 0.160 17992 1673 1 3 . 1 1 119 119 THR N N 119 114.941 114.941 112.458 2.483 17992 1674 1 3 . 1 1 119 119 THR HA H 119 3.972 3.972 4.073 -0.101 17992 1675 1 3 . 1 1 119 119 THR CA C 119 67.518 67.518 65.811 1.707 17992 1676 1 3 . 1 1 119 119 THR CB C 119 69.194 69.194 68.483 0.711 17992 1677 1 3 . 1 1 119 119 THR H H 119 8.171 8.171 7.925 0.246 17992 1678 1 3 . 1 1 120 120 LYS N N 120 121.758 121.758 121.184 0.574 17992 1679 1 3 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.108 -0.128 17992 1680 1 3 . 1 1 120 120 LYS CA C 120 60.810 60.810 58.428 2.382 17992 1681 1 3 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.664 -0.149 17992 1682 1 3 . 1 1 120 120 LYS H H 120 8.359 8.359 7.690 0.669 17992 1683 1 3 . 1 1 121 121 GLU N N 121 117.504 117.504 118.583 -1.079 17992 1684 1 3 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.091 0.123 17992 1685 1 3 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.988 0.252 17992 1686 1 3 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.983 -1.599 17992 1687 1 3 . 1 1 121 121 GLU H H 121 8.222 8.222 8.138 0.084 17992 1688 1 3 . 1 1 122 122 PHE N N 122 121.586 121.586 120.506 1.080 17992 1689 1 3 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.211 0.083 17992 1690 1 3 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.344 0.230 17992 1691 1 3 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.191 0.168 17992 1692 1 3 . 1 1 122 122 PHE H H 122 8.562 8.562 8.172 0.390 17992 1693 1 3 . 1 1 123 123 VAL N N 123 121.558 121.558 118.834 2.724 17992 1694 1 3 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.698 -0.182 17992 1695 1 3 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.418 2.190 17992 1696 1 3 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.546 -0.085 17992 1697 1 3 . 1 1 123 123 VAL H H 123 8.784 8.784 7.354 1.430 17992 1698 1 3 . 1 1 124 124 GLU N N 124 118.314 118.314 120.423 -2.109 17992 1699 1 3 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.061 -0.019 17992 1700 1 3 . 1 1 124 124 GLU CA C 124 60.207 60.207 58.787 1.420 17992 1701 1 3 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.141 -0.716 17992 1702 1 3 . 1 1 124 124 GLU H H 124 8.564 8.564 8.017 0.547 17992 1703 1 3 . 1 1 125 125 SER N N 125 114.779 114.779 115.246 -0.467 17992 1704 1 3 . 1 1 125 125 SER HA H 125 4.265 4.265 4.115 0.150 17992 1705 1 3 . 1 1 125 125 SER CA C 125 62.342 62.342 61.220 1.122 17992 1706 1 3 . 1 1 125 125 SER CB C 125 63.162 63.162 62.762 0.400 17992 1707 1 3 . 1 1 125 125 SER H H 125 8.348 8.348 8.263 0.085 17992 1708 1 3 . 1 1 126 126 SER N N 126 118.464 118.464 117.552 0.912 17992 1709 1 3 . 1 1 126 126 SER HA H 126 4.069 4.069 4.327 -0.258 17992 1710 1 3 . 1 1 126 126 SER CA C 126 62.846 62.846 62.044 0.802 17992 1711 1 3 . 1 1 126 126 SER H H 126 8.144 8.144 7.832 0.312 17992 1712 1 3 . 1 1 127 127 ILE N N 127 124.705 124.705 117.560 7.145 17992 1713 1 3 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.162 -0.481 17992 1714 1 3 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.423 2.218 17992 1715 1 3 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.501 0.533 17992 1716 1 3 . 1 1 127 127 ILE H H 127 8.280 8.280 7.488 0.792 17992 1717 1 3 . 1 1 128 128 LYS N N 128 119.907 119.907 121.388 -1.481 17992 1718 1 3 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.356 0.529 17992 1719 1 3 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.590 -0.342 17992 1720 1 3 . 1 1 128 128 LYS H H 128 7.741 7.741 7.424 0.317 17992 1721 1 3 . 1 1 129 129 ILE N N 129 118.807 118.807 118.806 0.001 17992 1722 1 3 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.851 0.256 17992 1723 1 3 . 1 1 129 129 ILE CA C 129 64.392 64.392 65.239 -0.847 17992 1724 1 3 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.042 0.008 17992 1725 1 3 . 1 1 129 129 ILE H H 129 8.215 8.215 8.522 -0.307 17992 1726 1 3 . 1 1 130 130 THR N N 130 117.328 117.328 113.014 4.314 17992 1727 1 3 . 1 1 130 130 THR HA H 130 3.921 3.921 3.965 -0.044 17992 1728 1 3 . 1 1 130 130 THR CA C 130 68.210 68.210 65.859 2.351 17992 1729 1 3 . 1 1 130 130 THR H H 130 7.988 7.988 8.126 -0.138 17992 1730 1 3 . 1 1 131 131 GLU N N 131 118.968 118.968 121.396 -2.428 17992 1731 1 3 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.039 -0.061 17992 1732 1 3 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.188 0.412 17992 1733 1 3 . 1 1 131 131 GLU H H 131 8.439 8.439 7.629 0.810 17992 1734 1 3 . 1 1 132 132 GLU N N 132 118.712 118.712 119.468 -0.756 17992 1735 1 3 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.233 -0.007 17992 1736 1 3 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.021 1.246 17992 1737 1 3 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.116 -1.497 17992 1738 1 3 . 1 1 132 132 GLU H H 132 7.987 7.987 7.956 0.031 17992 1739 1 3 . 1 1 133 133 VAL N N 133 120.060 120.060 120.991 -0.931 17992 1740 1 3 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.762 0.105 17992 1741 1 3 . 1 1 133 133 VAL CA C 133 66.330 66.330 65.328 1.002 17992 1742 1 3 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.738 0.418 17992 1743 1 3 . 1 1 133 133 VAL H H 133 8.341 8.341 7.885 0.456 17992 1744 1 3 . 1 1 134 134 ILE N N 134 119.699 119.699 117.046 2.653 17992 1745 1 3 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.605 0.255 17992 1746 1 3 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.346 1.838 17992 1747 1 3 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.106 0.796 17992 1748 1 3 . 1 1 134 134 ILE H H 134 8.331 8.331 7.328 1.003 17992 1749 1 3 . 1 1 135 135 ASN N N 135 117.396 117.396 118.085 -0.689 17992 1750 1 3 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.384 0.291 17992 1751 1 3 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.239 -0.734 17992 1752 1 3 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.333 0.794 17992 1753 1 3 . 1 1 135 135 ASN H H 135 8.318 8.318 8.304 0.014 17992 1754 1 3 . 1 1 136 136 THR N N 136 111.419 111.419 114.292 -2.873 17992 1755 1 3 . 1 1 136 136 THR HA H 136 4.308 4.308 4.218 0.090 17992 1756 1 3 . 1 1 136 136 THR CA C 136 63.872 63.872 65.793 -1.921 17992 1757 1 3 . 1 1 136 136 THR CB C 136 69.779 69.779 69.133 0.646 17992 1758 1 3 . 1 1 136 136 THR H H 136 8.006 8.006 7.772 0.234 17992 1759 1 3 . 1 1 137 137 HIS N N 137 118.612 118.612 118.280 0.332 17992 1760 1 3 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.303 0.400 17992 1761 1 3 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.129 -1.669 17992 1762 1 3 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.300 -0.588 17992 1763 1 3 . 1 1 137 137 HIS H H 137 8.013 8.013 7.654 0.358 17992 1764 1 3 . 1 1 138 138 HIS N N 138 118.709 118.709 117.709 1.000 17992 1765 1 3 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.028 0.798 17992 1766 1 3 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.921 -2.407 17992 1767 1 3 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.726 -1.480 17992 1768 1 3 . 1 1 138 138 HIS H H 138 8.169 8.169 7.796 0.373 17992 1769 1 3 . 1 1 139 139 ARG N N 139 123.025 123.025 119.478 3.547 17992 1770 1 3 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.011 0.555 17992 1771 1 3 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.499 -2.105 17992 1772 1 3 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.753 0.268 17992 1773 1 3 . 1 1 139 139 ARG H H 139 8.419 8.419 7.703 0.716 17992 1774 1 4 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.335 0.403 17992 1775 1 4 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.016 -0.240 17992 1776 1 4 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.157 0.188 17992 1777 1 4 . 1 1 8 8 HIS H H 8 8.686 8.686 8.190 0.496 17992 1778 1 4 . 1 1 9 9 ALA N N 9 124.079 124.079 123.258 0.821 17992 1779 1 4 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.334 0.053 17992 1780 1 4 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.484 0.803 17992 1781 1 4 . 1 1 9 9 ALA CB C 9 19.175 19.175 19.981 -0.806 17992 1782 1 4 . 1 1 9 9 ALA H H 9 8.457 8.457 8.245 0.212 17992 1783 1 4 . 1 1 10 10 MET N N 10 120.430 120.430 118.102 2.328 17992 1784 1 4 . 1 1 10 10 MET HA H 10 4.390 4.390 4.281 0.109 17992 1785 1 4 . 1 1 10 10 MET CA C 10 57.753 57.753 57.992 -0.239 17992 1786 1 4 . 1 1 10 10 MET CB C 10 32.355 32.355 32.596 -0.241 17992 1787 1 4 . 1 1 10 10 MET H H 10 8.545 8.545 8.104 0.441 17992 1788 1 4 . 1 1 11 11 VAL N N 11 119.159 119.159 113.964 5.195 17992 1789 1 4 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.907 0.109 17992 1790 1 4 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.096 1.175 17992 1791 1 4 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.425 0.186 17992 1792 1 4 . 1 1 11 11 VAL H H 11 8.339 8.339 7.625 0.714 17992 1793 1 4 . 1 1 12 12 ILE N N 12 119.461 119.461 119.681 -0.220 17992 1794 1 4 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.106 -0.153 17992 1795 1 4 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.231 1.103 17992 1796 1 4 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.388 -0.892 17992 1797 1 4 . 1 1 12 12 ILE H H 12 7.705 7.705 7.752 -0.047 17992 1798 1 4 . 1 1 13 13 ASP N N 13 119.460 119.460 120.354 -0.894 17992 1799 1 4 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.429 -0.045 17992 1800 1 4 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.864 0.660 17992 1801 1 4 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.761 -1.349 17992 1802 1 4 . 1 1 13 13 ASP H H 13 8.172 8.172 7.787 0.385 17992 1803 1 4 . 1 1 14 14 HIS N N 14 116.421 116.421 116.546 -0.125 17992 1804 1 4 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.407 0.133 17992 1805 1 4 . 1 1 14 14 HIS CA C 14 58.748 58.748 57.489 1.258 17992 1806 1 4 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.112 -1.460 17992 1807 1 4 . 1 1 14 14 HIS H H 14 8.138 8.138 7.707 0.431 17992 1808 1 4 . 1 1 15 15 ILE N N 15 119.970 119.970 120.715 -0.745 17992 1809 1 4 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.804 0.004 17992 1810 1 4 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.193 1.211 17992 1811 1 4 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.765 0.022 17992 1812 1 4 . 1 1 15 15 ILE H H 15 8.224 8.224 7.969 0.255 17992 1813 1 4 . 1 1 16 16 LEU N N 16 118.635 118.635 122.252 -3.617 17992 1814 1 4 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.447 1.545 17992 1815 1 4 . 1 1 16 16 LEU CA C 16 58.786 58.786 57.888 0.898 17992 1816 1 4 . 1 1 16 16 LEU H H 16 8.480 8.480 7.678 0.802 17992 1817 1 4 . 1 1 17 17 LYS N N 17 118.257 118.257 118.330 -0.073 17992 1818 1 4 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.002 0.092 17992 1819 1 4 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.206 0.676 17992 1820 1 4 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.986 0.230 17992 1821 1 4 . 1 1 17 17 LYS H H 17 8.098 8.098 7.661 0.437 17992 1822 1 4 . 1 1 18 18 CYS N N 18 117.220 117.220 118.353 -1.133 17992 1823 1 4 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.224 0.105 17992 1824 1 4 . 1 1 18 18 CYS CA C 18 63.218 63.218 63.734 -0.516 17992 1825 1 4 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.784 -0.962 17992 1826 1 4 . 1 1 18 18 CYS H H 18 7.899 7.899 7.942 -0.043 17992 1827 1 4 . 1 1 19 19 VAL N N 19 118.929 118.929 119.006 -0.077 17992 1828 1 4 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.981 -0.256 17992 1829 1 4 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.918 2.162 17992 1830 1 4 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.247 -0.190 17992 1831 1 4 . 1 1 19 19 VAL H H 19 8.352 8.352 7.365 0.987 17992 1832 1 4 . 1 1 20 20 PHE N N 20 120.244 120.244 119.816 0.428 17992 1833 1 4 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.328 -0.054 17992 1834 1 4 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.667 0.959 17992 1835 1 4 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.640 -0.560 17992 1836 1 4 . 1 1 20 20 PHE H H 20 8.791 8.791 8.755 0.036 17992 1837 1 4 . 1 1 21 21 ASP N N 21 118.761 118.761 120.451 -1.690 17992 1838 1 4 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.357 0.006 17992 1839 1 4 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.623 -0.106 17992 1840 1 4 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.856 -0.788 17992 1841 1 4 . 1 1 21 21 ASP H H 21 8.705 8.705 7.939 0.766 17992 1842 1 4 . 1 1 22 22 LYS N N 22 118.200 118.200 119.753 -1.553 17992 1843 1 4 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.026 0.168 17992 1844 1 4 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.005 -0.412 17992 1845 1 4 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.362 -0.063 17992 1846 1 4 . 1 1 22 22 LYS H H 22 7.810 7.810 7.604 0.206 17992 1847 1 4 . 1 1 23 23 ILE N N 23 118.534 118.534 118.759 -0.225 17992 1848 1 4 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.425 0.356 17992 1849 1 4 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.687 0.409 17992 1850 1 4 . 1 1 23 23 ILE H H 23 8.351 8.351 7.536 0.815 17992 1851 1 4 . 1 1 24 24 CYS N N 24 117.155 117.155 115.731 1.424 17992 1852 1 4 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.252 -0.203 17992 1853 1 4 . 1 1 24 24 CYS CA C 24 63.499 63.499 60.706 2.793 17992 1854 1 4 . 1 1 24 24 CYS CB C 24 26.626 26.626 26.501 0.125 17992 1855 1 4 . 1 1 24 24 CYS H H 24 8.203 8.203 7.791 0.412 17992 1856 1 4 . 1 1 25 25 LYS N N 25 119.995 119.995 122.209 -2.214 17992 1857 1 4 . 1 1 25 25 LYS CA C 25 58.762 58.762 58.498 0.264 17992 1858 1 4 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.548 -0.163 17992 1859 1 4 . 1 1 25 25 LYS H H 25 7.760 7.760 7.532 0.228 17992 1860 1 4 . 1 1 26 26 ILE N N 26 119.168 119.168 119.574 -0.406 17992 1861 1 4 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.690 0.284 17992 1862 1 4 . 1 1 26 26 ILE CA C 26 64.106 64.106 64.358 -0.251 17992 1863 1 4 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.759 -0.203 17992 1864 1 4 . 1 1 26 26 ILE H H 26 8.055 8.055 8.504 -0.449 17992 1865 1 4 . 1 1 27 27 GLY N N 27 108.257 108.257 106.359 1.898 17992 1866 1 4 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.241 -0.252 17992 1867 1 4 . 1 1 27 27 GLY H H 27 8.568 8.568 7.912 0.656 17992 1868 1 4 . 1 1 28 28 THR N N 28 112.727 112.727 111.134 1.593 17992 1869 1 4 . 1 1 28 28 THR HA H 28 3.912 3.912 4.349 -0.437 17992 1870 1 4 . 1 1 28 28 THR CA C 28 64.717 64.717 63.865 0.852 17992 1871 1 4 . 1 1 28 28 THR CB C 28 69.375 69.375 69.653 -0.278 17992 1872 1 4 . 1 1 28 28 THR H H 28 8.059 8.059 7.555 0.504 17992 1873 1 4 . 1 1 29 29 GLU N N 29 120.068 120.068 121.091 -1.023 17992 1874 1 4 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.847 -1.243 17992 1875 1 4 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.811 -0.718 17992 1876 1 4 . 1 1 29 29 GLU H H 29 8.113 8.113 8.075 0.038 17992 1877 1 4 . 1 1 30 30 SER N N 30 114.882 114.882 116.053 -1.171 17992 1878 1 4 . 1 1 30 30 SER HA H 30 4.374 4.374 4.306 0.068 17992 1879 1 4 . 1 1 30 30 SER CA C 30 60.353 60.353 61.236 -0.882 17992 1880 1 4 . 1 1 30 30 SER H H 30 8.060 8.060 8.321 -0.261 17992 1881 1 4 . 1 1 31 31 VAL N N 31 122.098 122.098 118.847 3.251 17992 1882 1 4 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.705 0.312 17992 1883 1 4 . 1 1 31 31 VAL CA C 31 64.627 64.627 64.950 -0.323 17992 1884 1 4 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.080 0.905 17992 1885 1 4 . 1 1 31 31 VAL H H 31 8.127 8.127 7.463 0.664 17992 1886 1 4 . 1 1 32 32 GLU N N 32 120.280 120.280 120.035 0.245 17992 1887 1 4 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.077 0.241 17992 1888 1 4 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.130 -1.243 17992 1889 1 4 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.403 -0.750 17992 1890 1 4 . 1 1 32 32 GLU H H 32 8.243 8.243 7.590 0.653 17992 1891 1 4 . 1 1 33 33 ALA N N 33 121.715 121.715 121.534 0.181 17992 1892 1 4 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.935 0.254 17992 1893 1 4 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.269 0.455 17992 1894 1 4 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.023 0.705 17992 1895 1 4 . 1 1 33 33 ALA H H 33 8.218 8.218 7.652 0.566 17992 1896 1 4 . 1 1 34 34 GLY N N 34 104.656 104.656 105.377 -0.721 17992 1897 1 4 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.339 0.735 17992 1898 1 4 . 1 1 34 34 GLY H H 34 8.308 8.308 7.919 0.389 17992 1899 1 4 . 1 1 35 35 ARG N N 35 119.958 119.958 120.890 -0.932 17992 1900 1 4 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.342 -0.066 17992 1901 1 4 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.810 2.215 17992 1902 1 4 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.326 0.963 17992 1903 1 4 . 1 1 35 35 ARG H H 35 7.975 7.975 7.286 0.689 17992 1904 1 4 . 1 1 36 36 LEU N N 36 118.931 118.931 121.124 -2.193 17992 1905 1 4 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.172 0.052 17992 1906 1 4 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.404 0.399 17992 1907 1 4 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.344 0.849 17992 1908 1 4 . 1 1 36 36 LEU H H 36 7.958 7.958 8.474 -0.516 17992 1909 1 4 . 1 1 37 37 ILE N N 37 118.087 118.087 119.649 -1.562 17992 1910 1 4 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.719 0.212 17992 1911 1 4 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.794 0.065 17992 1912 1 4 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.617 0.422 17992 1913 1 4 . 1 1 37 37 ILE H H 37 7.904 7.904 7.680 0.224 17992 1914 1 4 . 1 1 38 38 GLU N N 38 120.989 120.989 119.448 1.541 17992 1915 1 4 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.956 0.275 17992 1916 1 4 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.617 -1.173 17992 1917 1 4 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.394 -0.383 17992 1918 1 4 . 1 1 38 38 GLU H H 38 8.041 8.041 7.536 0.505 17992 1919 1 4 . 1 1 39 39 LEU N N 39 120.111 120.111 119.546 0.565 17992 1920 1 4 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.084 0.187 17992 1921 1 4 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.434 -0.023 17992 1922 1 4 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.361 0.934 17992 1923 1 4 . 1 1 39 39 LEU H H 39 8.173 8.173 7.670 0.503 17992 1924 1 4 . 1 1 40 40 SER N N 40 113.806 113.806 112.883 0.923 17992 1925 1 4 . 1 1 40 40 SER HA H 40 4.312 4.312 4.166 0.146 17992 1926 1 4 . 1 1 40 40 SER CA C 40 60.406 60.406 61.088 -0.682 17992 1927 1 4 . 1 1 40 40 SER CB C 40 63.646 63.646 63.089 0.557 17992 1928 1 4 . 1 1 40 40 SER H H 40 8.031 8.031 7.554 0.477 17992 1929 1 4 . 1 1 41 41 GLN N N 41 120.139 120.139 118.217 1.922 17992 1930 1 4 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.311 0.085 17992 1931 1 4 . 1 1 41 41 GLN CA C 41 56.601 56.601 56.981 -0.380 17992 1932 1 4 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.714 -0.329 17992 1933 1 4 . 1 1 41 41 GLN H H 41 7.956 7.956 7.771 0.185 17992 1934 1 4 . 1 1 42 42 GLU N N 42 119.728 119.728 116.717 3.011 17992 1935 1 4 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.314 0.059 17992 1936 1 4 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.886 0.203 17992 1937 1 4 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.145 -1.790 17992 1938 1 4 . 1 1 42 42 GLU H H 42 8.114 8.114 8.397 -0.283 17992 1939 1 4 . 1 1 43 43 GLY N N 43 108.655 108.655 107.817 0.838 17992 1940 1 4 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.513 0.110 17992 1941 1 4 . 1 1 43 43 GLY H H 43 8.325 8.325 8.083 0.242 17992 1942 1 4 . 1 1 44 44 GLY N N 44 107.872 107.872 107.689 0.183 17992 1943 1 4 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.830 0.657 17992 1944 1 4 . 1 1 44 44 GLY H H 44 8.105 8.105 7.917 0.188 17992 1945 1 4 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.803 1.592 17992 1946 1 4 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.462 0.007 17992 1947 1 4 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.273 1.157 17992 1948 1 4 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.879 0.442 17992 1949 1 4 . 1 1 50 50 LEU N N 50 116.864 116.864 117.938 -1.074 17992 1950 1 4 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.405 -0.203 17992 1951 1 4 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.295 2.254 17992 1952 1 4 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.239 1.460 17992 1953 1 4 . 1 1 50 50 LEU H H 50 8.336 8.336 8.056 0.280 17992 1954 1 4 . 1 1 51 51 TYR N N 51 118.433 118.433 121.143 -2.710 17992 1955 1 4 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.124 0.041 17992 1956 1 4 . 1 1 51 51 TYR CA C 51 61.034 61.034 62.249 -1.215 17992 1957 1 4 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.426 0.058 17992 1958 1 4 . 1 1 51 51 TYR H H 51 7.765 7.765 7.759 0.006 17992 1959 1 4 . 1 1 52 52 PHE N N 52 117.945 117.945 119.068 -1.123 17992 1960 1 4 . 1 1 52 52 PHE HA H 52 4.260 4.260 4.169 0.091 17992 1961 1 4 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.791 -0.540 17992 1962 1 4 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.938 0.381 17992 1963 1 4 . 1 1 52 52 PHE H H 52 7.873 7.873 7.719 0.154 17992 1964 1 4 . 1 1 53 53 VAL N N 53 117.468 117.468 118.775 -1.307 17992 1965 1 4 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.303 0.349 17992 1966 1 4 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.644 0.653 17992 1967 1 4 . 1 1 53 53 VAL CB C 53 31.810 31.810 32.089 -0.279 17992 1968 1 4 . 1 1 53 53 VAL H H 53 7.864 7.864 8.080 -0.216 17992 1969 1 4 . 1 1 54 54 VAL N N 54 116.929 116.929 120.261 -3.332 17992 1970 1 4 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.501 0.201 17992 1971 1 4 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.599 -0.532 17992 1972 1 4 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.439 0.363 17992 1973 1 4 . 1 1 54 54 VAL H H 54 7.958 7.958 8.345 -0.387 17992 1974 1 4 . 1 1 55 55 ASN N N 55 115.543 115.543 116.944 -1.401 17992 1975 1 4 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.420 0.210 17992 1976 1 4 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.299 0.161 17992 1977 1 4 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.486 1.443 17992 1978 1 4 . 1 1 55 55 ASN H H 55 7.823 7.823 7.926 -0.103 17992 1979 1 4 . 1 1 56 56 VAL N N 56 116.125 116.125 117.253 -1.128 17992 1980 1 4 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.860 0.237 17992 1981 1 4 . 1 1 56 56 VAL CA C 56 64.139 64.139 63.421 0.718 17992 1982 1 4 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.248 -0.245 17992 1983 1 4 . 1 1 56 56 VAL H H 56 7.664 7.664 7.228 0.436 17992 1984 1 4 . 1 1 57 57 ILE N N 57 116.872 116.872 118.891 -2.019 17992 1985 1 4 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.947 0.062 17992 1986 1 4 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.437 1.113 17992 1987 1 4 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.022 0.741 17992 1988 1 4 . 1 1 57 57 ILE H H 57 7.587 7.587 8.127 -0.540 17992 1989 1 4 . 1 1 58 58 GLU N N 58 118.190 118.190 120.909 -2.719 17992 1990 1 4 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.101 0.098 17992 1991 1 4 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.802 -1.497 17992 1992 1 4 . 1 1 58 58 GLU H H 58 8.114 8.114 7.675 0.439 17992 1993 1 4 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.379 0.130 17992 1994 1 4 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.314 0.248 17992 1995 1 4 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.231 0.235 17992 1996 1 4 . 1 1 60 60 CYS N N 60 115.035 115.035 117.550 -2.515 17992 1997 1 4 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.146 0.122 17992 1998 1 4 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.031 -0.918 17992 1999 1 4 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.222 -0.232 17992 2000 1 4 . 1 1 60 60 CYS H H 60 7.913 7.913 7.708 0.205 17992 2001 1 4 . 1 1 61 61 LYS N N 61 121.184 121.184 120.743 0.441 17992 2002 1 4 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.921 0.351 17992 2003 1 4 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.066 -0.977 17992 2004 1 4 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.069 0.359 17992 2005 1 4 . 1 1 61 61 LYS H H 61 8.197 8.197 8.372 -0.175 17992 2006 1 4 . 1 1 62 62 LYS N N 62 118.253 118.253 117.426 0.827 17992 2007 1 4 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.711 -0.867 17992 2008 1 4 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.109 -0.019 17992 2009 1 4 . 1 1 62 62 LYS H H 62 7.982 7.982 7.597 0.385 17992 2010 1 4 . 1 1 63 63 PHE N N 63 118.763 118.763 117.926 0.837 17992 2011 1 4 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.531 -0.276 17992 2012 1 4 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.687 0.847 17992 2013 1 4 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.762 -0.612 17992 2014 1 4 . 1 1 63 63 PHE H H 63 8.155 8.155 7.533 0.622 17992 2015 1 4 . 1 1 64 64 SER N N 64 114.881 114.881 115.618 -0.737 17992 2016 1 4 . 1 1 64 64 SER HA H 64 4.268 4.268 4.112 0.156 17992 2017 1 4 . 1 1 64 64 SER CA C 64 61.588 61.588 61.911 -0.323 17992 2018 1 4 . 1 1 64 64 SER CB C 64 63.175 63.175 63.019 0.156 17992 2019 1 4 . 1 1 64 64 SER H H 64 8.218 8.218 8.091 0.127 17992 2020 1 4 . 1 1 65 65 GLU N N 65 120.937 120.937 119.760 1.177 17992 2021 1 4 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.132 0.152 17992 2022 1 4 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.919 -0.708 17992 2023 1 4 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.421 -0.459 17992 2024 1 4 . 1 1 65 65 GLU H H 65 8.067 8.067 7.831 0.236 17992 2025 1 4 . 1 1 66 66 LEU N N 66 118.904 118.904 118.205 0.699 17992 2026 1 4 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.065 0.198 17992 2027 1 4 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.173 0.049 17992 2028 1 4 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.084 1.241 17992 2029 1 4 . 1 1 66 66 LEU H H 66 8.003 8.003 7.761 0.242 17992 2030 1 4 . 1 1 67 67 THR N N 67 108.190 108.190 109.907 -1.717 17992 2031 1 4 . 1 1 67 67 THR HA H 67 4.043 4.043 4.312 -0.269 17992 2032 1 4 . 1 1 67 67 THR CA C 67 64.579 64.579 65.113 -0.534 17992 2033 1 4 . 1 1 67 67 THR CB C 67 69.410 69.410 68.610 0.800 17992 2034 1 4 . 1 1 67 67 THR H H 67 7.783 7.783 7.825 -0.042 17992 2035 1 4 . 1 1 68 68 GLY N N 68 108.141 108.141 108.681 -0.540 17992 2036 1 4 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.423 0.821 17992 2037 1 4 . 1 1 68 68 GLY H H 68 7.964 7.964 7.685 0.279 17992 2038 1 4 . 1 1 69 69 LEU N N 69 120.124 120.124 120.836 -0.712 17992 2039 1 4 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.566 -0.214 17992 2040 1 4 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.876 0.610 17992 2041 1 4 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.594 -0.220 17992 2042 1 4 . 1 1 69 69 LEU H H 69 7.749 7.749 7.606 0.143 17992 2043 1 4 . 1 1 70 70 VAL N N 70 115.546 115.546 116.749 -1.203 17992 2044 1 4 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.886 0.049 17992 2045 1 4 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.707 -1.077 17992 2046 1 4 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.527 -0.263 17992 2047 1 4 . 1 1 70 70 VAL H H 70 7.607 7.607 7.475 0.132 17992 2048 1 4 . 1 1 71 71 PHE N N 71 119.035 119.035 115.396 3.639 17992 2049 1 4 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.553 0.005 17992 2050 1 4 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.500 -0.953 17992 2051 1 4 . 1 1 71 71 PHE CB C 71 39.300 39.300 40.322 -1.022 17992 2052 1 4 . 1 1 71 71 PHE H H 71 7.618 7.618 7.787 -0.169 17992 2053 1 4 . 1 1 72 72 TYR N N 72 118.365 118.365 117.414 0.951 17992 2054 1 4 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.604 -0.025 17992 2055 1 4 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.495 -1.398 17992 2056 1 4 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.503 -1.259 17992 2057 1 4 . 1 1 72 72 TYR H H 72 7.740 7.740 8.017 -0.277 17992 2058 1 4 . 1 1 73 73 LEU N N 73 121.184 121.184 123.108 -1.924 17992 2059 1 4 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.738 -0.163 17992 2060 1 4 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.570 1.979 17992 2061 1 4 . 1 1 73 73 LEU CB C 73 42.081 42.081 42.842 -0.761 17992 2062 1 4 . 1 1 73 73 LEU H H 73 7.713 7.713 7.432 0.281 17992 2063 1 4 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.539 0.099 17992 2064 1 4 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.688 0.516 17992 2065 1 4 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.579 -0.898 17992 2066 1 4 . 1 1 75 75 THR N N 75 113.231 113.231 115.136 -1.905 17992 2067 1 4 . 1 1 75 75 THR HA H 75 4.339 4.339 4.430 -0.091 17992 2068 1 4 . 1 1 75 75 THR CA C 75 62.684 62.684 62.365 0.319 17992 2069 1 4 . 1 1 75 75 THR H H 75 8.217 8.217 8.407 -0.190 17992 2070 1 4 . 1 1 76 76 ASP N N 76 120.892 120.892 115.744 5.148 17992 2071 1 4 . 1 1 76 76 ASP HA H 76 4.790 4.790 3.899 0.891 17992 2072 1 4 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.170 1.069 17992 2073 1 4 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.700 -1.385 17992 2074 1 4 . 1 1 76 76 ASP H H 76 8.406 8.406 7.239 1.167 17992 2075 1 4 . 1 1 77 77 SER N N 77 115.861 115.861 113.190 2.671 17992 2076 1 4 . 1 1 77 77 SER HA H 77 4.345 4.345 4.332 0.013 17992 2077 1 4 . 1 1 77 77 SER CA C 77 60.528 60.528 59.571 0.957 17992 2078 1 4 . 1 1 77 77 SER CB C 77 63.812 63.812 63.740 0.072 17992 2079 1 4 . 1 1 77 77 SER H H 77 8.238 8.238 8.249 -0.011 17992 2080 1 4 . 1 1 78 78 GLY N N 78 110.440 110.440 105.225 5.215 17992 2081 1 4 . 1 1 78 78 GLY CA C 78 46.653 46.653 44.953 1.700 17992 2082 1 4 . 1 1 78 78 GLY H H 78 8.570 8.570 7.701 0.869 17992 2083 1 4 . 1 1 79 79 GLU N N 79 121.242 121.242 121.865 -0.623 17992 2084 1 4 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.036 0.284 17992 2085 1 4 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.294 -1.276 17992 2086 1 4 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.780 -0.699 17992 2087 1 4 . 1 1 79 79 GLU H H 79 8.237 8.237 8.461 -0.224 17992 2088 1 4 . 1 1 80 80 LYS N N 80 119.708 119.708 118.139 1.569 17992 2089 1 4 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.039 0.280 17992 2090 1 4 . 1 1 80 80 LYS CA C 80 57.881 57.881 59.149 -1.268 17992 2091 1 4 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.767 0.979 17992 2092 1 4 . 1 1 80 80 LYS H H 80 8.252 8.252 8.518 -0.266 17992 2093 1 4 . 1 1 81 81 MET N N 81 119.849 119.849 117.347 2.502 17992 2094 1 4 . 1 1 81 81 MET HA H 81 4.367 4.367 4.369 -0.002 17992 2095 1 4 . 1 1 81 81 MET CA C 81 57.845 57.845 59.369 -1.524 17992 2096 1 4 . 1 1 81 81 MET CB C 81 32.658 32.658 32.444 0.214 17992 2097 1 4 . 1 1 81 81 MET H H 81 8.419 8.419 7.626 0.793 17992 2098 1 4 . 1 1 82 82 THR N N 82 114.947 114.947 114.408 0.539 17992 2099 1 4 . 1 1 82 82 THR HA H 82 4.132 4.132 3.983 0.149 17992 2100 1 4 . 1 1 82 82 THR CA C 82 65.377 65.377 65.852 -0.475 17992 2101 1 4 . 1 1 82 82 THR CB C 82 69.035 69.035 68.641 0.394 17992 2102 1 4 . 1 1 82 82 THR H H 82 8.115 8.115 8.072 0.043 17992 2103 1 4 . 1 1 83 83 GLU N N 83 121.416 121.416 118.681 2.735 17992 2104 1 4 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.258 0.115 17992 2105 1 4 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.179 -0.115 17992 2106 1 4 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.966 -1.024 17992 2107 1 4 . 1 1 83 83 GLU H H 83 8.336 8.336 8.166 0.170 17992 2108 1 4 . 1 1 84 84 SER N N 84 115.783 115.783 114.540 1.243 17992 2109 1 4 . 1 1 84 84 SER HA H 84 4.278 4.278 4.408 -0.130 17992 2110 1 4 . 1 1 84 84 SER CA C 84 61.685 61.685 60.264 1.421 17992 2111 1 4 . 1 1 84 84 SER H H 84 8.191 8.191 7.748 0.443 17992 2112 1 4 . 1 1 85 85 LYS N N 85 121.318 121.318 122.696 -1.378 17992 2113 1 4 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.167 -0.082 17992 2114 1 4 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.398 0.390 17992 2115 1 4 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.377 0.053 17992 2116 1 4 . 1 1 85 85 LYS H H 85 8.113 8.113 7.906 0.207 17992 2117 1 4 . 1 1 86 86 SER N N 86 115.042 115.042 112.519 2.523 17992 2118 1 4 . 1 1 86 86 SER HA H 86 4.389 4.389 4.408 -0.019 17992 2119 1 4 . 1 1 86 86 SER CA C 86 61.437 61.437 60.501 0.936 17992 2120 1 4 . 1 1 86 86 SER CB C 86 63.116 63.116 62.834 0.282 17992 2121 1 4 . 1 1 86 86 SER H H 86 8.066 8.066 7.790 0.276 17992 2122 1 4 . 1 1 87 87 VAL N N 87 122.920 122.920 122.421 0.499 17992 2123 1 4 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.913 0.467 17992 2124 1 4 . 1 1 87 87 VAL CA C 87 66.123 66.123 64.672 1.451 17992 2125 1 4 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.322 0.057 17992 2126 1 4 . 1 1 87 87 VAL H H 87 8.103 8.103 7.894 0.209 17992 2127 1 4 . 1 1 88 88 LEU N N 88 119.501 119.501 120.221 -0.720 17992 2128 1 4 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.025 0.097 17992 2129 1 4 . 1 1 88 88 LEU CA C 88 57.906 57.906 58.270 -0.364 17992 2130 1 4 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.067 0.877 17992 2131 1 4 . 1 1 88 88 LEU H H 88 8.146 8.146 7.606 0.540 17992 2132 1 4 . 1 1 89 89 LYS N N 89 120.285 120.285 118.764 1.521 17992 2133 1 4 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.132 -0.037 17992 2134 1 4 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.514 1.373 17992 2135 1 4 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.084 0.142 17992 2136 1 4 . 1 1 89 89 LYS H H 89 8.245 8.245 7.771 0.474 17992 2137 1 4 . 1 1 90 90 SER N N 90 115.131 115.131 114.411 0.720 17992 2138 1 4 . 1 1 90 90 SER HA H 90 4.362 4.362 4.425 -0.063 17992 2139 1 4 . 1 1 90 90 SER CA C 90 61.815 61.815 60.082 1.733 17992 2140 1 4 . 1 1 90 90 SER H H 90 8.037 8.037 7.591 0.446 17992 2141 1 4 . 1 1 91 91 LEU N N 91 120.855 120.855 121.838 -0.983 17992 2142 1 4 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.387 -0.239 17992 2143 1 4 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.616 0.797 17992 2144 1 4 . 1 1 91 91 LEU CB C 91 42.175 42.175 42.266 -0.091 17992 2145 1 4 . 1 1 91 91 LEU H H 91 8.445 8.445 7.893 0.552 17992 2146 1 4 . 1 1 92 92 THR N N 92 112.933 112.933 115.361 -2.428 17992 2147 1 4 . 1 1 92 92 THR HA H 92 3.904 3.904 3.884 0.020 17992 2148 1 4 . 1 1 92 92 THR CA C 92 67.390 67.390 66.746 0.644 17992 2149 1 4 . 1 1 92 92 THR CB C 92 69.367 69.367 68.518 0.849 17992 2150 1 4 . 1 1 92 92 THR H H 92 8.383 8.383 7.899 0.484 17992 2151 1 4 . 1 1 93 93 GLU N N 93 120.387 120.387 119.774 0.613 17992 2152 1 4 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.511 -0.024 17992 2153 1 4 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.457 -0.312 17992 2154 1 4 . 1 1 93 93 GLU H H 93 7.971 7.971 8.421 -0.450 17992 2155 1 4 . 1 1 94 94 LYS N N 94 118.470 118.470 117.308 1.162 17992 2156 1 4 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.171 -0.005 17992 2157 1 4 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.793 1.253 17992 2158 1 4 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.606 -0.259 17992 2159 1 4 . 1 1 94 94 LYS H H 94 7.804 7.804 7.902 -0.098 17992 2160 1 4 . 1 1 95 95 LEU N N 95 118.397 118.397 119.036 -0.639 17992 2161 1 4 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.274 -0.115 17992 2162 1 4 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.519 1.358 17992 2163 1 4 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.217 -0.267 17992 2164 1 4 . 1 1 95 95 LEU H H 95 8.256 8.256 7.740 0.516 17992 2165 1 4 . 1 1 96 96 LYS N N 96 117.747 117.747 119.835 -2.088 17992 2166 1 4 . 1 1 96 96 LYS HA H 96 3.940 3.940 3.980 -0.040 17992 2167 1 4 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.882 0.400 17992 2168 1 4 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.989 0.360 17992 2169 1 4 . 1 1 96 96 LYS H H 96 8.105 8.105 8.540 -0.435 17992 2170 1 4 . 1 1 97 97 LYS N N 97 116.451 116.451 119.733 -3.282 17992 2171 1 4 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.161 0.006 17992 2172 1 4 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.772 0.771 17992 2173 1 4 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.121 0.030 17992 2174 1 4 . 1 1 97 97 LYS H H 97 7.520 7.520 7.808 -0.288 17992 2175 1 4 . 1 1 98 98 ILE N N 98 117.587 117.587 122.198 -4.611 17992 2176 1 4 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.778 0.152 17992 2177 1 4 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.755 0.544 17992 2178 1 4 . 1 1 98 98 ILE CB C 98 37.749 37.749 37.966 -0.217 17992 2179 1 4 . 1 1 98 98 ILE H H 98 7.782 7.782 7.726 0.056 17992 2180 1 4 . 1 1 99 99 VAL N N 99 116.989 116.989 117.520 -0.531 17992 2181 1 4 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.701 0.124 17992 2182 1 4 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.212 0.751 17992 2183 1 4 . 1 1 99 99 VAL CB C 99 31.482 31.482 30.936 0.546 17992 2184 1 4 . 1 1 99 99 VAL H H 99 7.917 7.917 7.508 0.409 17992 2185 1 4 . 1 1 100 100 GLU N N 100 116.782 116.782 118.279 -1.497 17992 2186 1 4 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.210 0.003 17992 2187 1 4 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.677 0.297 17992 2188 1 4 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.855 -1.932 17992 2189 1 4 . 1 1 100 100 GLU H H 100 7.702 7.702 7.941 -0.239 17992 2190 1 4 . 1 1 101 101 LEU N N 101 118.218 118.218 119.809 -1.591 17992 2191 1 4 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.355 -0.200 17992 2192 1 4 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.292 -0.556 17992 2193 1 4 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.935 -0.896 17992 2194 1 4 . 1 1 101 101 LEU H H 101 7.751 7.751 7.777 -0.026 17992 2195 1 4 . 1 1 102 102 ILE N N 102 119.412 119.412 116.716 2.696 17992 2196 1 4 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.429 -0.702 17992 2197 1 4 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.680 3.129 17992 2198 1 4 . 1 1 102 102 ILE H H 102 7.559 7.559 7.774 -0.215 17992 2199 1 4 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.602 -0.015 17992 2200 1 4 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.880 1.409 17992 2201 1 4 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.222 0.664 17992 2202 1 4 . 1 1 104 104 SER N N 104 112.794 112.794 120.591 -7.797 17992 2203 1 4 . 1 1 104 104 SER HA H 104 4.571 4.571 4.107 0.464 17992 2204 1 4 . 1 1 104 104 SER CA C 104 59.286 59.286 59.996 -0.710 17992 2205 1 4 . 1 1 104 104 SER CB C 104 63.849 63.849 63.479 0.370 17992 2206 1 4 . 1 1 104 104 SER H H 104 8.100 8.100 8.487 -0.387 17992 2207 1 4 . 1 1 105 105 THR N N 105 114.655 114.655 109.147 5.508 17992 2208 1 4 . 1 1 105 105 THR HA H 105 4.318 4.318 4.516 -0.198 17992 2209 1 4 . 1 1 105 105 THR CA C 105 64.056 64.056 60.676 3.380 17992 2210 1 4 . 1 1 105 105 THR CB C 105 69.861 69.861 71.683 -1.822 17992 2211 1 4 . 1 1 105 105 THR H H 105 8.186 8.186 7.783 0.403 17992 2212 1 4 . 1 1 106 106 SER N N 106 116.165 116.165 114.324 1.841 17992 2213 1 4 . 1 1 106 106 SER HA H 106 4.344 4.344 4.720 -0.376 17992 2214 1 4 . 1 1 106 106 SER CA C 106 60.864 60.864 58.942 1.922 17992 2215 1 4 . 1 1 106 106 SER CB C 106 63.462 63.462 63.695 -0.233 17992 2216 1 4 . 1 1 106 106 SER H H 106 8.200 8.200 8.638 -0.438 17992 2217 1 4 . 1 1 107 107 SER N N 107 116.732 116.732 117.480 -0.748 17992 2218 1 4 . 1 1 107 107 SER HA H 107 4.413 4.413 4.567 -0.154 17992 2219 1 4 . 1 1 107 107 SER CA C 107 60.051 60.051 60.205 -0.154 17992 2220 1 4 . 1 1 107 107 SER CB C 107 63.921 63.921 64.029 -0.108 17992 2221 1 4 . 1 1 107 107 SER H H 107 8.114 8.114 7.592 0.522 17992 2222 1 4 . 1 1 108 108 ALA N N 108 122.523 122.523 124.390 -1.867 17992 2223 1 4 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.354 0.080 17992 2224 1 4 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.356 -0.875 17992 2225 1 4 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.329 1.002 17992 2226 1 4 . 1 1 108 108 ALA H H 108 8.022 8.022 8.076 -0.054 17992 2227 1 4 . 1 1 109 109 VAL N N 109 117.146 117.146 120.620 -3.474 17992 2228 1 4 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.787 0.001 17992 2229 1 4 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.286 -1.451 17992 2230 1 4 . 1 1 109 109 VAL H H 109 7.829 7.829 8.487 -0.658 17992 2231 1 4 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.341 0.139 17992 2232 1 4 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.243 0.202 17992 2233 1 4 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.283 0.096 17992 2234 1 4 . 1 1 111 111 LEU N N 111 117.393 117.393 119.508 -2.115 17992 2235 1 4 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.211 0.002 17992 2236 1 4 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.265 0.517 17992 2237 1 4 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.307 0.141 17992 2238 1 4 . 1 1 111 111 LEU H H 111 7.538 7.538 7.271 0.267 17992 2239 1 4 . 1 1 112 112 ILE N N 112 117.001 117.001 119.826 -2.825 17992 2240 1 4 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.870 0.131 17992 2241 1 4 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.535 0.091 17992 2242 1 4 . 1 1 112 112 ILE H H 112 8.118 8.118 8.849 -0.731 17992 2243 1 4 . 1 1 113 113 GLY N N 113 106.840 106.840 107.381 -0.541 17992 2244 1 4 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.150 0.622 17992 2245 1 4 . 1 1 113 113 GLY H H 113 8.409 8.409 8.050 0.359 17992 2246 1 4 . 1 1 114 114 LYS N N 114 120.736 120.736 121.707 -0.971 17992 2247 1 4 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.139 -0.019 17992 2248 1 4 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.805 0.333 17992 2249 1 4 . 1 1 114 114 LYS H H 114 7.847 7.847 7.704 0.143 17992 2250 1 4 . 1 1 115 115 TYR N N 115 117.055 117.055 119.293 -2.238 17992 2251 1 4 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.207 0.065 17992 2252 1 4 . 1 1 115 115 TYR CA C 115 60.430 60.430 62.381 -1.951 17992 2253 1 4 . 1 1 115 115 TYR H H 115 7.891 7.891 7.383 0.508 17992 2254 1 4 . 1 1 116 116 MET H H 116 8.170 8.170 8.711 -0.541 17992 2255 1 4 . 1 1 117 117 LEU N N 117 117.768 117.768 119.697 -1.929 17992 2256 1 4 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.125 -0.216 17992 2257 1 4 . 1 1 117 117 LEU CA C 117 58.594 58.594 56.928 1.666 17992 2258 1 4 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.978 -0.642 17992 2259 1 4 . 1 1 117 117 LEU H H 117 7.781 7.781 7.521 0.260 17992 2260 1 4 . 1 1 118 118 PHE N N 118 118.204 118.204 120.863 -2.659 17992 2261 1 4 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.073 0.355 17992 2262 1 4 . 1 1 118 118 PHE CA C 118 60.735 60.735 62.163 -1.428 17992 2263 1 4 . 1 1 118 118 PHE H H 118 8.024 8.024 8.157 -0.133 17992 2264 1 4 . 1 1 119 119 THR N N 119 114.941 114.941 113.772 1.169 17992 2265 1 4 . 1 1 119 119 THR HA H 119 3.972 3.972 4.070 -0.098 17992 2266 1 4 . 1 1 119 119 THR CA C 119 67.518 67.518 66.257 1.261 17992 2267 1 4 . 1 1 119 119 THR CB C 119 69.194 69.194 68.621 0.574 17992 2268 1 4 . 1 1 119 119 THR H H 119 8.171 8.171 7.858 0.313 17992 2269 1 4 . 1 1 120 120 LYS N N 120 121.758 121.758 120.194 1.564 17992 2270 1 4 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.896 0.084 17992 2271 1 4 . 1 1 120 120 LYS CA C 120 60.810 60.810 58.947 1.863 17992 2272 1 4 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.020 0.495 17992 2273 1 4 . 1 1 120 120 LYS H H 120 8.359 8.359 7.453 0.906 17992 2274 1 4 . 1 1 121 121 GLU N N 121 117.504 117.504 118.940 -1.436 17992 2275 1 4 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.156 0.058 17992 2276 1 4 . 1 1 121 121 GLU CA C 121 59.240 59.240 57.559 1.681 17992 2277 1 4 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.941 -1.558 17992 2278 1 4 . 1 1 121 121 GLU H H 121 8.222 8.222 8.158 0.064 17992 2279 1 4 . 1 1 122 122 PHE N N 122 121.586 121.586 121.025 0.561 17992 2280 1 4 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.017 0.277 17992 2281 1 4 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.429 0.145 17992 2282 1 4 . 1 1 122 122 PHE CB C 122 39.359 39.359 38.950 0.409 17992 2283 1 4 . 1 1 122 122 PHE H H 122 8.562 8.562 7.778 0.784 17992 2284 1 4 . 1 1 123 123 VAL N N 123 121.558 121.558 119.692 1.866 17992 2285 1 4 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.708 -0.192 17992 2286 1 4 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.615 1.993 17992 2287 1 4 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.871 -0.410 17992 2288 1 4 . 1 1 123 123 VAL H H 123 8.784 8.784 7.757 1.027 17992 2289 1 4 . 1 1 124 124 GLU N N 124 118.314 118.314 119.935 -1.621 17992 2290 1 4 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.993 0.049 17992 2291 1 4 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.430 0.777 17992 2292 1 4 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.226 -0.801 17992 2293 1 4 . 1 1 124 124 GLU H H 124 8.564 8.564 8.414 0.150 17992 2294 1 4 . 1 1 125 125 SER N N 125 114.779 114.779 115.584 -0.805 17992 2295 1 4 . 1 1 125 125 SER HA H 125 4.265 4.265 4.134 0.131 17992 2296 1 4 . 1 1 125 125 SER CA C 125 62.342 62.342 61.721 0.621 17992 2297 1 4 . 1 1 125 125 SER CB C 125 63.162 63.162 62.511 0.651 17992 2298 1 4 . 1 1 125 125 SER H H 125 8.348 8.348 8.375 -0.027 17992 2299 1 4 . 1 1 126 126 SER N N 126 118.464 118.464 117.505 0.959 17992 2300 1 4 . 1 1 126 126 SER HA H 126 4.069 4.069 4.436 -0.367 17992 2301 1 4 . 1 1 126 126 SER CA C 126 62.846 62.846 60.789 2.057 17992 2302 1 4 . 1 1 126 126 SER H H 126 8.144 8.144 8.113 0.031 17992 2303 1 4 . 1 1 127 127 ILE N N 127 124.705 124.705 122.232 2.473 17992 2304 1 4 . 1 1 127 127 ILE HA H 127 3.681 3.681 3.969 -0.288 17992 2305 1 4 . 1 1 127 127 ILE CA C 127 65.641 65.641 64.145 1.496 17992 2306 1 4 . 1 1 127 127 ILE CB C 127 38.034 38.034 38.120 -0.086 17992 2307 1 4 . 1 1 127 127 ILE H H 127 8.280 8.280 8.092 0.188 17992 2308 1 4 . 1 1 128 128 LYS N N 128 119.907 119.907 119.879 0.028 17992 2309 1 4 . 1 1 128 128 LYS CA C 128 59.885 59.885 58.815 1.071 17992 2310 1 4 . 1 1 128 128 LYS CB C 128 32.248 32.248 31.801 0.447 17992 2311 1 4 . 1 1 128 128 LYS H H 128 7.741 7.741 7.509 0.232 17992 2312 1 4 . 1 1 129 129 ILE N N 129 118.807 118.807 117.168 1.639 17992 2313 1 4 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.903 0.204 17992 2314 1 4 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.533 -0.141 17992 2315 1 4 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.145 -0.095 17992 2316 1 4 . 1 1 129 129 ILE H H 129 8.215 8.215 7.636 0.579 17992 2317 1 4 . 1 1 130 130 THR N N 130 117.328 117.328 114.378 2.950 17992 2318 1 4 . 1 1 130 130 THR HA H 130 3.921 3.921 4.030 -0.109 17992 2319 1 4 . 1 1 130 130 THR CA C 130 68.210 68.210 65.351 2.859 17992 2320 1 4 . 1 1 130 130 THR H H 130 7.988 7.988 7.773 0.215 17992 2321 1 4 . 1 1 131 131 GLU N N 131 118.968 118.968 122.117 -3.149 17992 2322 1 4 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.006 -0.028 17992 2323 1 4 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.907 0.693 17992 2324 1 4 . 1 1 131 131 GLU H H 131 8.439 8.439 7.918 0.521 17992 2325 1 4 . 1 1 132 132 GLU N N 132 118.712 118.712 118.287 0.425 17992 2326 1 4 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.238 -0.012 17992 2327 1 4 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.235 1.032 17992 2328 1 4 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.745 -1.126 17992 2329 1 4 . 1 1 132 132 GLU H H 132 7.987 7.987 7.608 0.379 17992 2330 1 4 . 1 1 133 133 VAL N N 133 120.060 120.060 120.820 -0.760 17992 2331 1 4 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.974 -0.107 17992 2332 1 4 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.155 2.175 17992 2333 1 4 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.887 0.269 17992 2334 1 4 . 1 1 133 133 VAL H H 133 8.341 8.341 7.927 0.414 17992 2335 1 4 . 1 1 134 134 ILE N N 134 119.699 119.699 120.435 -0.736 17992 2336 1 4 . 1 1 134 134 ILE HA H 134 3.860 3.860 4.012 -0.152 17992 2337 1 4 . 1 1 134 134 ILE CA C 134 65.184 65.184 62.148 3.036 17992 2338 1 4 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.745 0.157 17992 2339 1 4 . 1 1 134 134 ILE H H 134 8.331 8.331 7.760 0.571 17992 2340 1 4 . 1 1 135 135 ASN N N 135 117.396 117.396 116.539 0.857 17992 2341 1 4 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.588 0.087 17992 2342 1 4 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.743 -0.238 17992 2343 1 4 . 1 1 135 135 ASN CB C 135 39.127 39.127 39.081 0.046 17992 2344 1 4 . 1 1 135 135 ASN H H 135 8.318 8.318 8.009 0.309 17992 2345 1 4 . 1 1 136 136 THR N N 136 111.419 111.419 114.263 -2.844 17992 2346 1 4 . 1 1 136 136 THR HA H 136 4.308 4.308 4.314 -0.006 17992 2347 1 4 . 1 1 136 136 THR CA C 136 63.872 63.872 65.358 -1.486 17992 2348 1 4 . 1 1 136 136 THR CB C 136 69.779 69.779 69.353 0.425 17992 2349 1 4 . 1 1 136 136 THR H H 136 8.006 8.006 7.440 0.566 17992 2350 1 4 . 1 1 137 137 HIS N N 137 118.612 118.612 120.441 -1.829 17992 2351 1 4 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.312 0.391 17992 2352 1 4 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.964 -2.504 17992 2353 1 4 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.720 -1.008 17992 2354 1 4 . 1 1 137 137 HIS H H 137 8.013 8.013 8.243 -0.230 17992 2355 1 4 . 1 1 138 138 HIS N N 138 118.709 118.709 117.143 1.566 17992 2356 1 4 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.212 0.614 17992 2357 1 4 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.608 -3.094 17992 2358 1 4 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.622 -1.376 17992 2359 1 4 . 1 1 138 138 HIS H H 138 8.169 8.169 7.895 0.274 17992 2360 1 4 . 1 1 139 139 ARG N N 139 123.025 123.025 119.701 3.324 17992 2361 1 4 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.041 0.525 17992 2362 1 4 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.083 -1.689 17992 2363 1 4 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.606 0.415 17992 2364 1 4 . 1 1 139 139 ARG H H 139 8.419 8.419 8.042 0.377 17992 2365 1 5 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.581 0.157 17992 2366 1 5 . 1 1 8 8 HIS CA C 8 55.776 55.776 54.640 1.136 17992 2367 1 5 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.031 -0.687 17992 2368 1 5 . 1 1 8 8 HIS H H 8 8.686 8.686 7.870 0.816 17992 2369 1 5 . 1 1 9 9 ALA N N 9 124.079 124.079 126.078 -1.999 17992 2370 1 5 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.465 -0.078 17992 2371 1 5 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.962 0.324 17992 2372 1 5 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.500 -1.325 17992 2373 1 5 . 1 1 9 9 ALA H H 9 8.457 8.457 8.437 0.020 17992 2374 1 5 . 1 1 10 10 MET N N 10 120.430 120.430 118.603 1.827 17992 2375 1 5 . 1 1 10 10 MET HA H 10 4.390 4.390 4.449 -0.059 17992 2376 1 5 . 1 1 10 10 MET CA C 10 57.753 57.753 58.480 -0.727 17992 2377 1 5 . 1 1 10 10 MET CB C 10 32.355 32.355 32.705 -0.350 17992 2378 1 5 . 1 1 10 10 MET H H 10 8.545 8.545 8.345 0.200 17992 2379 1 5 . 1 1 11 11 VAL N N 11 119.159 119.159 114.553 4.606 17992 2380 1 5 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.117 -0.101 17992 2381 1 5 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.013 2.259 17992 2382 1 5 . 1 1 11 11 VAL CB C 11 31.611 31.611 30.645 0.966 17992 2383 1 5 . 1 1 11 11 VAL H H 11 8.339 8.339 7.865 0.474 17992 2384 1 5 . 1 1 12 12 ILE N N 12 119.461 119.461 120.339 -0.878 17992 2385 1 5 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.083 -0.130 17992 2386 1 5 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.840 0.494 17992 2387 1 5 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.280 -0.784 17992 2388 1 5 . 1 1 12 12 ILE H H 12 7.705 7.705 7.845 -0.140 17992 2389 1 5 . 1 1 13 13 ASP N N 13 119.460 119.460 119.899 -0.439 17992 2390 1 5 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.498 -0.114 17992 2391 1 5 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.582 0.942 17992 2392 1 5 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.928 -1.516 17992 2393 1 5 . 1 1 13 13 ASP H H 13 8.172 8.172 7.887 0.285 17992 2394 1 5 . 1 1 14 14 HIS N N 14 116.421 116.421 118.789 -2.368 17992 2395 1 5 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.425 0.115 17992 2396 1 5 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.484 0.264 17992 2397 1 5 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.392 -1.740 17992 2398 1 5 . 1 1 14 14 HIS H H 14 8.138 8.138 7.785 0.353 17992 2399 1 5 . 1 1 15 15 ILE N N 15 119.970 119.970 120.148 -0.178 17992 2400 1 5 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.701 0.107 17992 2401 1 5 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.757 0.647 17992 2402 1 5 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.974 -0.187 17992 2403 1 5 . 1 1 15 15 ILE H H 15 8.224 8.224 7.640 0.584 17992 2404 1 5 . 1 1 16 16 LEU N N 16 118.635 118.635 121.208 -2.573 17992 2405 1 5 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.548 0.444 17992 2406 1 5 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.605 0.181 17992 2407 1 5 . 1 1 16 16 LEU H H 16 8.480 8.480 7.622 0.858 17992 2408 1 5 . 1 1 17 17 LYS N N 17 118.257 118.257 118.300 -0.043 17992 2409 1 5 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.086 0.008 17992 2410 1 5 . 1 1 17 17 LYS CA C 17 59.882 59.882 58.904 0.978 17992 2411 1 5 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.755 0.461 17992 2412 1 5 . 1 1 17 17 LYS H H 17 8.098 8.098 7.926 0.172 17992 2413 1 5 . 1 1 18 18 CYS N N 18 117.220 117.220 118.558 -1.338 17992 2414 1 5 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.276 0.053 17992 2415 1 5 . 1 1 18 18 CYS CA C 18 63.218 63.218 63.122 0.096 17992 2416 1 5 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.661 -0.839 17992 2417 1 5 . 1 1 18 18 CYS H H 18 7.899 7.899 7.884 0.015 17992 2418 1 5 . 1 1 19 19 VAL N N 19 118.929 118.929 119.704 -0.775 17992 2419 1 5 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.945 -0.220 17992 2420 1 5 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.986 2.094 17992 2421 1 5 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.233 -0.175 17992 2422 1 5 . 1 1 19 19 VAL H H 19 8.352 8.352 7.589 0.763 17992 2423 1 5 . 1 1 20 20 PHE N N 20 120.244 120.244 119.896 0.348 17992 2424 1 5 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.300 -0.026 17992 2425 1 5 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.738 0.888 17992 2426 1 5 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.549 -0.469 17992 2427 1 5 . 1 1 20 20 PHE H H 20 8.791 8.791 8.815 -0.024 17992 2428 1 5 . 1 1 21 21 ASP N N 21 118.761 118.761 120.370 -1.609 17992 2429 1 5 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.384 -0.021 17992 2430 1 5 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.594 -0.077 17992 2431 1 5 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.890 -0.822 17992 2432 1 5 . 1 1 21 21 ASP H H 21 8.705 8.705 7.976 0.729 17992 2433 1 5 . 1 1 22 22 LYS N N 22 118.200 118.200 119.646 -1.446 17992 2434 1 5 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.131 0.063 17992 2435 1 5 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.533 0.060 17992 2436 1 5 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.563 -0.264 17992 2437 1 5 . 1 1 22 22 LYS H H 22 7.810 7.810 7.618 0.192 17992 2438 1 5 . 1 1 23 23 ILE N N 23 118.534 118.534 119.508 -0.974 17992 2439 1 5 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.505 0.276 17992 2440 1 5 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.456 0.640 17992 2441 1 5 . 1 1 23 23 ILE H H 23 8.351 8.351 7.543 0.808 17992 2442 1 5 . 1 1 24 24 CYS N N 24 117.155 117.155 115.611 1.544 17992 2443 1 5 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.151 -0.102 17992 2444 1 5 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.091 1.408 17992 2445 1 5 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.605 -0.979 17992 2446 1 5 . 1 1 24 24 CYS H H 24 8.203 8.203 7.570 0.633 17992 2447 1 5 . 1 1 25 25 LYS N N 25 119.995 119.995 121.294 -1.299 17992 2448 1 5 . 1 1 25 25 LYS CA C 25 58.762 58.762 58.150 0.612 17992 2449 1 5 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.340 0.045 17992 2450 1 5 . 1 1 25 25 LYS H H 25 7.760 7.760 7.527 0.233 17992 2451 1 5 . 1 1 26 26 ILE N N 26 119.168 119.168 118.895 0.273 17992 2452 1 5 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.634 0.340 17992 2453 1 5 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.386 0.720 17992 2454 1 5 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.361 0.195 17992 2455 1 5 . 1 1 26 26 ILE H H 26 8.055 8.055 8.288 -0.233 17992 2456 1 5 . 1 1 27 27 GLY N N 27 108.257 108.257 105.449 2.808 17992 2457 1 5 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.110 -0.121 17992 2458 1 5 . 1 1 27 27 GLY H H 27 8.568 8.568 7.710 0.858 17992 2459 1 5 . 1 1 28 28 THR N N 28 112.727 112.727 112.322 0.405 17992 2460 1 5 . 1 1 28 28 THR HA H 28 3.912 3.912 4.274 -0.362 17992 2461 1 5 . 1 1 28 28 THR CA C 28 64.717 64.717 63.706 1.012 17992 2462 1 5 . 1 1 28 28 THR CB C 28 69.375 69.375 69.459 -0.084 17992 2463 1 5 . 1 1 28 28 THR H H 28 8.059 8.059 7.531 0.528 17992 2464 1 5 . 1 1 29 29 GLU N N 29 120.068 120.068 121.984 -1.916 17992 2465 1 5 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.224 -1.620 17992 2466 1 5 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.886 -0.793 17992 2467 1 5 . 1 1 29 29 GLU H H 29 8.113 8.113 8.167 -0.054 17992 2468 1 5 . 1 1 30 30 SER N N 30 114.882 114.882 114.098 0.784 17992 2469 1 5 . 1 1 30 30 SER HA H 30 4.374 4.374 4.220 0.154 17992 2470 1 5 . 1 1 30 30 SER CA C 30 60.353 60.353 61.155 -0.802 17992 2471 1 5 . 1 1 30 30 SER H H 30 8.060 8.060 7.711 0.349 17992 2472 1 5 . 1 1 31 31 VAL N N 31 122.098 122.098 119.928 2.170 17992 2473 1 5 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.700 0.317 17992 2474 1 5 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.378 -0.751 17992 2475 1 5 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.457 0.528 17992 2476 1 5 . 1 1 31 31 VAL H H 31 8.127 8.127 7.182 0.945 17992 2477 1 5 . 1 1 32 32 GLU N N 32 120.280 120.280 119.951 0.329 17992 2478 1 5 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.109 0.209 17992 2479 1 5 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.093 -1.206 17992 2480 1 5 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.369 -0.716 17992 2481 1 5 . 1 1 32 32 GLU H H 32 8.243 8.243 7.449 0.794 17992 2482 1 5 . 1 1 33 33 ALA N N 33 121.715 121.715 121.340 0.375 17992 2483 1 5 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.937 0.252 17992 2484 1 5 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.210 0.514 17992 2485 1 5 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.073 0.655 17992 2486 1 5 . 1 1 33 33 ALA H H 33 8.218 8.218 7.613 0.605 17992 2487 1 5 . 1 1 34 34 GLY N N 34 104.656 104.656 105.649 -0.993 17992 2488 1 5 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.408 0.666 17992 2489 1 5 . 1 1 34 34 GLY H H 34 8.308 8.308 7.943 0.365 17992 2490 1 5 . 1 1 35 35 ARG N N 35 119.958 119.958 121.517 -1.559 17992 2491 1 5 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.261 0.015 17992 2492 1 5 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.481 1.544 17992 2493 1 5 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.852 0.437 17992 2494 1 5 . 1 1 35 35 ARG H H 35 7.975 7.975 7.450 0.525 17992 2495 1 5 . 1 1 36 36 LEU N N 36 118.931 118.931 121.263 -2.332 17992 2496 1 5 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.055 0.169 17992 2497 1 5 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.450 -0.647 17992 2498 1 5 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.957 0.236 17992 2499 1 5 . 1 1 36 36 LEU H H 36 7.958 7.958 8.532 -0.574 17992 2500 1 5 . 1 1 37 37 ILE N N 37 118.087 118.087 118.064 0.023 17992 2501 1 5 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.731 0.200 17992 2502 1 5 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.138 0.721 17992 2503 1 5 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.877 0.162 17992 2504 1 5 . 1 1 37 37 ILE H H 37 7.904 7.904 7.563 0.341 17992 2505 1 5 . 1 1 38 38 GLU N N 38 120.989 120.989 121.379 -0.390 17992 2506 1 5 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.937 0.294 17992 2507 1 5 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.370 -0.925 17992 2508 1 5 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.457 -0.446 17992 2509 1 5 . 1 1 38 38 GLU H H 38 8.041 8.041 7.511 0.530 17992 2510 1 5 . 1 1 39 39 LEU N N 39 120.111 120.111 119.972 0.139 17992 2511 1 5 . 1 1 39 39 LEU HA H 39 4.271 4.271 3.974 0.297 17992 2512 1 5 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.764 -0.353 17992 2513 1 5 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.382 0.913 17992 2514 1 5 . 1 1 39 39 LEU H H 39 8.173 8.173 7.854 0.319 17992 2515 1 5 . 1 1 40 40 SER N N 40 113.806 113.806 113.265 0.541 17992 2516 1 5 . 1 1 40 40 SER HA H 40 4.312 4.312 4.134 0.178 17992 2517 1 5 . 1 1 40 40 SER CA C 40 60.406 60.406 61.169 -0.763 17992 2518 1 5 . 1 1 40 40 SER CB C 40 63.646 63.646 62.898 0.748 17992 2519 1 5 . 1 1 40 40 SER H H 40 8.031 8.031 7.824 0.207 17992 2520 1 5 . 1 1 41 41 GLN N N 41 120.139 120.139 117.775 2.364 17992 2521 1 5 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.089 0.307 17992 2522 1 5 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.856 -1.256 17992 2523 1 5 . 1 1 41 41 GLN CB C 41 29.385 29.385 28.909 0.476 17992 2524 1 5 . 1 1 41 41 GLN H H 41 7.956 7.956 7.908 0.048 17992 2525 1 5 . 1 1 42 42 GLU N N 42 119.728 119.728 115.000 4.728 17992 2526 1 5 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.286 0.087 17992 2527 1 5 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.723 0.366 17992 2528 1 5 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.491 -2.136 17992 2529 1 5 . 1 1 42 42 GLU H H 42 8.114 8.114 7.873 0.241 17992 2530 1 5 . 1 1 43 43 GLY N N 43 108.655 108.655 107.400 1.255 17992 2531 1 5 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.376 0.247 17992 2532 1 5 . 1 1 43 43 GLY H H 43 8.325 8.325 8.061 0.264 17992 2533 1 5 . 1 1 44 44 GLY N N 44 107.872 107.872 107.990 -0.118 17992 2534 1 5 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.111 1.376 17992 2535 1 5 . 1 1 44 44 GLY H H 44 8.105 8.105 8.051 0.054 17992 2536 1 5 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.424 1.971 17992 2537 1 5 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.495 -0.026 17992 2538 1 5 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.410 1.020 17992 2539 1 5 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.926 0.395 17992 2540 1 5 . 1 1 50 50 LEU N N 50 116.864 116.864 118.219 -1.355 17992 2541 1 5 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.386 -0.184 17992 2542 1 5 . 1 1 50 50 LEU CA C 50 57.549 57.549 56.194 1.355 17992 2543 1 5 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.252 1.448 17992 2544 1 5 . 1 1 50 50 LEU H H 50 8.336 8.336 8.159 0.177 17992 2545 1 5 . 1 1 51 51 TYR N N 51 118.433 118.433 121.782 -3.349 17992 2546 1 5 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.096 0.069 17992 2547 1 5 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.742 -0.708 17992 2548 1 5 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.279 0.205 17992 2549 1 5 . 1 1 51 51 TYR H H 51 7.765 7.765 7.759 0.006 17992 2550 1 5 . 1 1 52 52 PHE N N 52 117.945 117.945 119.724 -1.779 17992 2551 1 5 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.921 0.339 17992 2552 1 5 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.698 -0.447 17992 2553 1 5 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.182 0.137 17992 2554 1 5 . 1 1 52 52 PHE H H 52 7.873 7.873 7.853 0.020 17992 2555 1 5 . 1 1 53 53 VAL N N 53 117.468 117.468 118.813 -1.345 17992 2556 1 5 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.266 0.386 17992 2557 1 5 . 1 1 53 53 VAL CA C 53 66.298 66.298 66.269 0.029 17992 2558 1 5 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.773 0.037 17992 2559 1 5 . 1 1 53 53 VAL H H 53 7.864 7.864 7.533 0.331 17992 2560 1 5 . 1 1 54 54 VAL N N 54 116.929 116.929 120.657 -3.728 17992 2561 1 5 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.619 0.083 17992 2562 1 5 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.729 -0.662 17992 2563 1 5 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.128 0.673 17992 2564 1 5 . 1 1 54 54 VAL H H 54 7.958 7.958 8.316 -0.358 17992 2565 1 5 . 1 1 55 55 ASN N N 55 115.543 115.543 116.899 -1.356 17992 2566 1 5 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.665 -0.035 17992 2567 1 5 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.139 0.321 17992 2568 1 5 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.820 1.109 17992 2569 1 5 . 1 1 55 55 ASN H H 55 7.823 7.823 7.930 -0.107 17992 2570 1 5 . 1 1 56 56 VAL N N 56 116.125 116.125 119.389 -3.264 17992 2571 1 5 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.678 0.419 17992 2572 1 5 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.000 -0.861 17992 2573 1 5 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.699 0.304 17992 2574 1 5 . 1 1 56 56 VAL H H 56 7.664 7.664 7.565 0.099 17992 2575 1 5 . 1 1 57 57 ILE N N 57 116.872 116.872 118.683 -1.811 17992 2576 1 5 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.784 0.225 17992 2577 1 5 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.539 1.011 17992 2578 1 5 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.507 1.256 17992 2579 1 5 . 1 1 57 57 ILE H H 57 7.587 7.587 8.180 -0.593 17992 2580 1 5 . 1 1 58 58 GLU N N 58 118.190 118.190 120.651 -2.461 17992 2581 1 5 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.055 0.144 17992 2582 1 5 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.797 -1.492 17992 2583 1 5 . 1 1 58 58 GLU H H 58 8.114 8.114 7.660 0.454 17992 2584 1 5 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.299 0.210 17992 2585 1 5 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.210 0.352 17992 2586 1 5 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.270 0.196 17992 2587 1 5 . 1 1 60 60 CYS N N 60 115.035 115.035 117.834 -2.799 17992 2588 1 5 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.045 0.223 17992 2589 1 5 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.618 -1.505 17992 2590 1 5 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.485 -0.495 17992 2591 1 5 . 1 1 60 60 CYS H H 60 7.913 7.913 7.494 0.419 17992 2592 1 5 . 1 1 61 61 LYS N N 61 121.184 121.184 120.430 0.754 17992 2593 1 5 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.978 0.294 17992 2594 1 5 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.172 -1.083 17992 2595 1 5 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.074 0.354 17992 2596 1 5 . 1 1 61 61 LYS H H 61 8.197 8.197 8.230 -0.033 17992 2597 1 5 . 1 1 62 62 LYS N N 62 118.253 118.253 117.636 0.617 17992 2598 1 5 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.898 -1.054 17992 2599 1 5 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.111 -0.021 17992 2600 1 5 . 1 1 62 62 LYS H H 62 7.982 7.982 8.057 -0.075 17992 2601 1 5 . 1 1 63 63 PHE N N 63 118.763 118.763 117.563 1.200 17992 2602 1 5 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.498 -0.243 17992 2603 1 5 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.504 1.030 17992 2604 1 5 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.537 -0.387 17992 2605 1 5 . 1 1 63 63 PHE H H 63 8.155 8.155 7.741 0.414 17992 2606 1 5 . 1 1 64 64 SER N N 64 114.881 114.881 117.919 -3.038 17992 2607 1 5 . 1 1 64 64 SER HA H 64 4.268 4.268 3.700 0.568 17992 2608 1 5 . 1 1 64 64 SER CA C 64 61.588 61.588 61.845 -0.257 17992 2609 1 5 . 1 1 64 64 SER CB C 64 63.175 63.175 62.734 0.441 17992 2610 1 5 . 1 1 64 64 SER H H 64 8.218 8.218 8.014 0.204 17992 2611 1 5 . 1 1 65 65 GLU N N 65 120.937 120.937 120.490 0.447 17992 2612 1 5 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.066 0.218 17992 2613 1 5 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.883 -0.672 17992 2614 1 5 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.350 -0.388 17992 2615 1 5 . 1 1 65 65 GLU H H 65 8.067 8.067 7.784 0.283 17992 2616 1 5 . 1 1 66 66 LEU N N 66 118.904 118.904 119.150 -0.246 17992 2617 1 5 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.106 0.157 17992 2618 1 5 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.084 0.138 17992 2619 1 5 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.521 0.804 17992 2620 1 5 . 1 1 66 66 LEU H H 66 8.003 8.003 7.900 0.103 17992 2621 1 5 . 1 1 67 67 THR N N 67 108.190 108.190 113.224 -5.034 17992 2622 1 5 . 1 1 67 67 THR HA H 67 4.043 4.043 4.132 -0.089 17992 2623 1 5 . 1 1 67 67 THR CA C 67 64.579 64.579 66.481 -1.902 17992 2624 1 5 . 1 1 67 67 THR CB C 67 69.410 69.410 68.372 1.038 17992 2625 1 5 . 1 1 67 67 THR H H 67 7.783 7.783 7.497 0.286 17992 2626 1 5 . 1 1 68 68 GLY N N 68 108.141 108.141 107.479 0.662 17992 2627 1 5 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.396 0.848 17992 2628 1 5 . 1 1 68 68 GLY H H 68 7.964 7.964 7.612 0.352 17992 2629 1 5 . 1 1 69 69 LEU N N 69 120.124 120.124 121.091 -0.967 17992 2630 1 5 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.645 -0.293 17992 2631 1 5 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.983 0.503 17992 2632 1 5 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.722 -0.348 17992 2633 1 5 . 1 1 69 69 LEU H H 69 7.749 7.749 7.583 0.166 17992 2634 1 5 . 1 1 70 70 VAL N N 70 115.546 115.546 118.696 -3.150 17992 2635 1 5 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.943 -0.008 17992 2636 1 5 . 1 1 70 70 VAL CA C 70 63.630 63.630 65.397 -1.767 17992 2637 1 5 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.188 0.076 17992 2638 1 5 . 1 1 70 70 VAL H H 70 7.607 7.607 7.704 -0.097 17992 2639 1 5 . 1 1 71 71 PHE N N 71 119.035 119.035 116.659 2.376 17992 2640 1 5 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.369 0.189 17992 2641 1 5 . 1 1 71 71 PHE CA C 71 58.547 58.547 58.914 -0.367 17992 2642 1 5 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.432 -0.132 17992 2643 1 5 . 1 1 71 71 PHE H H 71 7.618 7.618 8.030 -0.412 17992 2644 1 5 . 1 1 72 72 TYR N N 72 118.365 118.365 117.758 0.607 17992 2645 1 5 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.621 -0.042 17992 2646 1 5 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.280 -1.183 17992 2647 1 5 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.737 -1.493 17992 2648 1 5 . 1 1 72 72 TYR H H 72 7.740 7.740 7.910 -0.170 17992 2649 1 5 . 1 1 73 73 LEU N N 73 121.184 121.184 120.939 0.245 17992 2650 1 5 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.782 -0.207 17992 2651 1 5 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.778 1.772 17992 2652 1 5 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.974 -1.893 17992 2653 1 5 . 1 1 73 73 LEU H H 73 7.713 7.713 7.664 0.049 17992 2654 1 5 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.700 -0.062 17992 2655 1 5 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.315 0.889 17992 2656 1 5 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.574 -0.893 17992 2657 1 5 . 1 1 75 75 THR N N 75 113.231 113.231 116.703 -3.472 17992 2658 1 5 . 1 1 75 75 THR HA H 75 4.339 4.339 4.138 0.201 17992 2659 1 5 . 1 1 75 75 THR CA C 75 62.684 62.684 64.534 -1.850 17992 2660 1 5 . 1 1 75 75 THR H H 75 8.217 8.217 8.581 -0.364 17992 2661 1 5 . 1 1 76 76 ASP N N 76 120.892 120.892 116.356 4.536 17992 2662 1 5 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.646 0.144 17992 2663 1 5 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.553 0.686 17992 2664 1 5 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.478 -2.163 17992 2665 1 5 . 1 1 76 76 ASP H H 76 8.406 8.406 7.359 1.047 17992 2666 1 5 . 1 1 77 77 SER N N 77 115.861 115.861 113.559 2.302 17992 2667 1 5 . 1 1 77 77 SER HA H 77 4.345 4.345 4.227 0.118 17992 2668 1 5 . 1 1 77 77 SER CA C 77 60.528 60.528 59.752 0.776 17992 2669 1 5 . 1 1 77 77 SER CB C 77 63.812 63.812 63.548 0.264 17992 2670 1 5 . 1 1 77 77 SER H H 77 8.238 8.238 8.410 -0.172 17992 2671 1 5 . 1 1 78 78 GLY N N 78 110.440 110.440 106.296 4.144 17992 2672 1 5 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.080 1.573 17992 2673 1 5 . 1 1 78 78 GLY H H 78 8.570 8.570 7.896 0.674 17992 2674 1 5 . 1 1 79 79 GLU N N 79 121.242 121.242 121.833 -0.591 17992 2675 1 5 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.222 0.098 17992 2676 1 5 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.211 -1.193 17992 2677 1 5 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.561 -0.479 17992 2678 1 5 . 1 1 79 79 GLU H H 79 8.237 8.237 8.540 -0.303 17992 2679 1 5 . 1 1 80 80 LYS N N 80 119.708 119.708 117.912 1.796 17992 2680 1 5 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.522 -0.203 17992 2681 1 5 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.518 -0.637 17992 2682 1 5 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.401 0.345 17992 2683 1 5 . 1 1 80 80 LYS H H 80 8.252 8.252 8.488 -0.236 17992 2684 1 5 . 1 1 81 81 MET N N 81 119.849 119.849 117.398 2.451 17992 2685 1 5 . 1 1 81 81 MET HA H 81 4.367 4.367 4.596 -0.229 17992 2686 1 5 . 1 1 81 81 MET CA C 81 57.845 57.845 58.982 -1.137 17992 2687 1 5 . 1 1 81 81 MET CB C 81 32.658 32.658 32.739 -0.081 17992 2688 1 5 . 1 1 81 81 MET H H 81 8.419 8.419 7.775 0.644 17992 2689 1 5 . 1 1 82 82 THR N N 82 114.947 114.947 115.073 -0.126 17992 2690 1 5 . 1 1 82 82 THR HA H 82 4.132 4.132 4.017 0.115 17992 2691 1 5 . 1 1 82 82 THR CA C 82 65.377 65.377 66.106 -0.729 17992 2692 1 5 . 1 1 82 82 THR CB C 82 69.035 69.035 68.546 0.489 17992 2693 1 5 . 1 1 82 82 THR H H 82 8.115 8.115 8.299 -0.184 17992 2694 1 5 . 1 1 83 83 GLU N N 83 121.416 121.416 119.337 2.079 17992 2695 1 5 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.282 0.091 17992 2696 1 5 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.318 -0.254 17992 2697 1 5 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.636 -0.694 17992 2698 1 5 . 1 1 83 83 GLU H H 83 8.336 8.336 8.040 0.296 17992 2699 1 5 . 1 1 84 84 SER N N 84 115.783 115.783 116.307 -0.524 17992 2700 1 5 . 1 1 84 84 SER HA H 84 4.278 4.278 4.362 -0.084 17992 2701 1 5 . 1 1 84 84 SER CA C 84 61.685 61.685 61.745 -0.060 17992 2702 1 5 . 1 1 84 84 SER H H 84 8.191 8.191 8.307 -0.116 17992 2703 1 5 . 1 1 85 85 LYS N N 85 121.318 121.318 121.058 0.260 17992 2704 1 5 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.072 0.013 17992 2705 1 5 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.990 0.798 17992 2706 1 5 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.573 -0.143 17992 2707 1 5 . 1 1 85 85 LYS H H 85 8.113 8.113 7.569 0.544 17992 2708 1 5 . 1 1 86 86 SER N N 86 115.042 115.042 113.610 1.432 17992 2709 1 5 . 1 1 86 86 SER HA H 86 4.389 4.389 4.370 0.019 17992 2710 1 5 . 1 1 86 86 SER CA C 86 61.437 61.437 60.342 1.095 17992 2711 1 5 . 1 1 86 86 SER CB C 86 63.116 63.116 62.498 0.618 17992 2712 1 5 . 1 1 86 86 SER H H 86 8.066 8.066 7.557 0.509 17992 2713 1 5 . 1 1 87 87 VAL N N 87 122.920 122.920 121.957 0.963 17992 2714 1 5 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.881 0.499 17992 2715 1 5 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.319 0.804 17992 2716 1 5 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.858 -0.479 17992 2717 1 5 . 1 1 87 87 VAL H H 87 8.103 8.103 7.194 0.909 17992 2718 1 5 . 1 1 88 88 LEU N N 88 119.501 119.501 117.959 1.542 17992 2719 1 5 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.108 0.014 17992 2720 1 5 . 1 1 88 88 LEU CA C 88 57.906 57.906 56.910 0.996 17992 2721 1 5 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.350 0.594 17992 2722 1 5 . 1 1 88 88 LEU H H 88 8.146 8.146 7.366 0.780 17992 2723 1 5 . 1 1 89 89 LYS N N 89 120.285 120.285 119.668 0.617 17992 2724 1 5 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.047 0.048 17992 2725 1 5 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.304 0.583 17992 2726 1 5 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.267 -0.041 17992 2727 1 5 . 1 1 89 89 LYS H H 89 8.245 8.245 7.649 0.596 17992 2728 1 5 . 1 1 90 90 SER N N 90 115.131 115.131 114.401 0.730 17992 2729 1 5 . 1 1 90 90 SER HA H 90 4.362 4.362 4.319 0.043 17992 2730 1 5 . 1 1 90 90 SER CA C 90 61.815 61.815 60.434 1.381 17992 2731 1 5 . 1 1 90 90 SER H H 90 8.037 8.037 7.678 0.359 17992 2732 1 5 . 1 1 91 91 LEU N N 91 120.855 120.855 121.798 -0.943 17992 2733 1 5 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.321 -0.173 17992 2734 1 5 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.331 1.082 17992 2735 1 5 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.771 0.404 17992 2736 1 5 . 1 1 91 91 LEU H H 91 8.445 8.445 7.208 1.237 17992 2737 1 5 . 1 1 92 92 THR N N 92 112.933 112.933 115.099 -2.166 17992 2738 1 5 . 1 1 92 92 THR HA H 92 3.904 3.904 3.910 -0.006 17992 2739 1 5 . 1 1 92 92 THR CA C 92 67.390 67.390 66.462 0.928 17992 2740 1 5 . 1 1 92 92 THR CB C 92 69.367 69.367 68.186 1.181 17992 2741 1 5 . 1 1 92 92 THR H H 92 8.383 8.383 7.759 0.624 17992 2742 1 5 . 1 1 93 93 GLU N N 93 120.387 120.387 120.072 0.315 17992 2743 1 5 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.408 0.078 17992 2744 1 5 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.227 -0.083 17992 2745 1 5 . 1 1 93 93 GLU H H 93 7.971 7.971 8.080 -0.109 17992 2746 1 5 . 1 1 94 94 LYS N N 94 118.470 118.470 117.428 1.042 17992 2747 1 5 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.200 -0.034 17992 2748 1 5 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.995 1.051 17992 2749 1 5 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.478 -0.132 17992 2750 1 5 . 1 1 94 94 LYS H H 94 7.804 7.804 7.884 -0.080 17992 2751 1 5 . 1 1 95 95 LEU N N 95 118.397 118.397 119.287 -0.890 17992 2752 1 5 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.287 -0.128 17992 2753 1 5 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.438 1.439 17992 2754 1 5 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.126 -0.177 17992 2755 1 5 . 1 1 95 95 LEU H H 95 8.256 8.256 7.351 0.905 17992 2756 1 5 . 1 1 96 96 LYS N N 96 117.747 117.747 117.469 0.278 17992 2757 1 5 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.135 -0.195 17992 2758 1 5 . 1 1 96 96 LYS CA C 96 60.282 60.282 58.936 1.346 17992 2759 1 5 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.629 -0.280 17992 2760 1 5 . 1 1 96 96 LYS H H 96 8.105 8.105 8.235 -0.130 17992 2761 1 5 . 1 1 97 97 LYS N N 97 116.451 116.451 119.608 -3.157 17992 2762 1 5 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.198 -0.031 17992 2763 1 5 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.333 1.210 17992 2764 1 5 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.777 0.374 17992 2765 1 5 . 1 1 97 97 LYS H H 97 7.520 7.520 7.513 0.007 17992 2766 1 5 . 1 1 98 98 ILE N N 98 117.587 117.587 121.924 -4.337 17992 2767 1 5 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.800 0.130 17992 2768 1 5 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.815 0.484 17992 2769 1 5 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.062 -0.313 17992 2770 1 5 . 1 1 98 98 ILE H H 98 7.782 7.782 7.831 -0.049 17992 2771 1 5 . 1 1 99 99 VAL N N 99 116.989 116.989 118.563 -1.574 17992 2772 1 5 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.664 0.161 17992 2773 1 5 . 1 1 99 99 VAL CA C 99 65.963 65.963 64.957 1.006 17992 2774 1 5 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.784 -0.302 17992 2775 1 5 . 1 1 99 99 VAL H H 99 7.917 7.917 7.385 0.532 17992 2776 1 5 . 1 1 100 100 GLU N N 100 116.782 116.782 118.746 -1.964 17992 2777 1 5 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.205 0.008 17992 2778 1 5 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.020 -0.046 17992 2779 1 5 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.232 -1.309 17992 2780 1 5 . 1 1 100 100 GLU H H 100 7.702 7.702 8.043 -0.341 17992 2781 1 5 . 1 1 101 101 LEU N N 101 118.218 118.218 120.529 -2.311 17992 2782 1 5 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.297 -0.142 17992 2783 1 5 . 1 1 101 101 LEU CA C 101 55.736 55.736 57.022 -1.286 17992 2784 1 5 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.598 -0.559 17992 2785 1 5 . 1 1 101 101 LEU H H 101 7.751 7.751 7.736 0.015 17992 2786 1 5 . 1 1 102 102 ILE N N 102 119.412 119.412 115.784 3.628 17992 2787 1 5 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.447 -0.720 17992 2788 1 5 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.906 2.903 17992 2789 1 5 . 1 1 102 102 ILE H H 102 7.559 7.559 7.828 -0.269 17992 2790 1 5 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.606 -0.019 17992 2791 1 5 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.830 1.459 17992 2792 1 5 . 1 1 103 103 PRO CB C 103 31.886 31.886 30.693 1.193 17992 2793 1 5 . 1 1 104 104 SER N N 104 112.794 112.794 120.109 -7.315 17992 2794 1 5 . 1 1 104 104 SER HA H 104 4.571 4.571 4.170 0.401 17992 2795 1 5 . 1 1 104 104 SER CA C 104 59.286 59.286 60.854 -1.568 17992 2796 1 5 . 1 1 104 104 SER CB C 104 63.849 63.849 63.622 0.227 17992 2797 1 5 . 1 1 104 104 SER H H 104 8.100 8.100 8.367 -0.267 17992 2798 1 5 . 1 1 105 105 THR N N 105 114.655 114.655 109.428 5.227 17992 2799 1 5 . 1 1 105 105 THR HA H 105 4.318 4.318 4.470 -0.152 17992 2800 1 5 . 1 1 105 105 THR CA C 105 64.056 64.056 61.162 2.894 17992 2801 1 5 . 1 1 105 105 THR CB C 105 69.861 69.861 71.290 -1.429 17992 2802 1 5 . 1 1 105 105 THR H H 105 8.186 8.186 7.678 0.508 17992 2803 1 5 . 1 1 106 106 SER N N 106 116.165 116.165 119.982 -3.817 17992 2804 1 5 . 1 1 106 106 SER HA H 106 4.344 4.344 4.443 -0.099 17992 2805 1 5 . 1 1 106 106 SER CA C 106 60.864 60.864 59.120 1.744 17992 2806 1 5 . 1 1 106 106 SER CB C 106 63.462 63.462 63.077 0.385 17992 2807 1 5 . 1 1 106 106 SER H H 106 8.200 8.200 8.879 -0.679 17992 2808 1 5 . 1 1 107 107 SER N N 107 116.732 116.732 115.568 1.164 17992 2809 1 5 . 1 1 107 107 SER HA H 107 4.413 4.413 4.435 -0.022 17992 2810 1 5 . 1 1 107 107 SER CA C 107 60.051 60.051 60.495 -0.444 17992 2811 1 5 . 1 1 107 107 SER CB C 107 63.921 63.921 63.515 0.406 17992 2812 1 5 . 1 1 107 107 SER H H 107 8.114 8.114 8.009 0.105 17992 2813 1 5 . 1 1 108 108 ALA N N 108 122.523 122.523 123.985 -1.462 17992 2814 1 5 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.290 0.144 17992 2815 1 5 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.096 -0.614 17992 2816 1 5 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.279 1.052 17992 2817 1 5 . 1 1 108 108 ALA H H 108 8.022 8.022 7.408 0.614 17992 2818 1 5 . 1 1 109 109 VAL N N 109 117.146 117.146 120.650 -3.504 17992 2819 1 5 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.674 0.114 17992 2820 1 5 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.212 -1.377 17992 2821 1 5 . 1 1 109 109 VAL H H 109 7.829 7.829 7.945 -0.116 17992 2822 1 5 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.289 0.191 17992 2823 1 5 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.232 0.213 17992 2824 1 5 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.221 0.158 17992 2825 1 5 . 1 1 111 111 LEU N N 111 117.393 117.393 119.345 -1.952 17992 2826 1 5 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.176 0.037 17992 2827 1 5 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.263 0.519 17992 2828 1 5 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.285 0.163 17992 2829 1 5 . 1 1 111 111 LEU H H 111 7.538 7.538 7.259 0.279 17992 2830 1 5 . 1 1 112 112 ILE N N 112 117.001 117.001 119.781 -2.780 17992 2831 1 5 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.914 0.087 17992 2832 1 5 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.706 -0.080 17992 2833 1 5 . 1 1 112 112 ILE H H 112 8.118 8.118 8.710 -0.592 17992 2834 1 5 . 1 1 113 113 GLY N N 113 106.840 106.840 107.256 -0.416 17992 2835 1 5 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.259 0.513 17992 2836 1 5 . 1 1 113 113 GLY H H 113 8.409 8.409 7.985 0.424 17992 2837 1 5 . 1 1 114 114 LYS N N 114 120.736 120.736 121.475 -0.739 17992 2838 1 5 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.152 -0.032 17992 2839 1 5 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.406 0.732 17992 2840 1 5 . 1 1 114 114 LYS H H 114 7.847 7.847 7.774 0.073 17992 2841 1 5 . 1 1 115 115 TYR N N 115 117.055 117.055 119.350 -2.295 17992 2842 1 5 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.405 -0.133 17992 2843 1 5 . 1 1 115 115 TYR CA C 115 60.430 60.430 61.372 -0.942 17992 2844 1 5 . 1 1 115 115 TYR H H 115 7.891 7.891 7.423 0.468 17992 2845 1 5 . 1 1 116 116 MET H H 116 8.170 8.170 8.744 -0.574 17992 2846 1 5 . 1 1 117 117 LEU N N 117 117.768 117.768 120.063 -2.295 17992 2847 1 5 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.001 -0.092 17992 2848 1 5 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.952 0.642 17992 2849 1 5 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.735 -0.399 17992 2850 1 5 . 1 1 117 117 LEU H H 117 7.781 7.781 7.674 0.107 17992 2851 1 5 . 1 1 118 118 PHE N N 118 118.204 118.204 118.835 -0.631 17992 2852 1 5 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.244 0.184 17992 2853 1 5 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.316 -0.581 17992 2854 1 5 . 1 1 118 118 PHE H H 118 8.024 8.024 7.799 0.225 17992 2855 1 5 . 1 1 119 119 THR N N 119 114.941 114.941 114.963 -0.022 17992 2856 1 5 . 1 1 119 119 THR HA H 119 3.972 3.972 4.184 -0.212 17992 2857 1 5 . 1 1 119 119 THR CA C 119 67.518 67.518 66.592 0.926 17992 2858 1 5 . 1 1 119 119 THR CB C 119 69.194 69.194 68.506 0.688 17992 2859 1 5 . 1 1 119 119 THR H H 119 8.171 8.171 7.994 0.177 17992 2860 1 5 . 1 1 120 120 LYS N N 120 121.758 121.758 121.246 0.512 17992 2861 1 5 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.078 -0.098 17992 2862 1 5 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.385 1.425 17992 2863 1 5 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.113 0.402 17992 2864 1 5 . 1 1 120 120 LYS H H 120 8.359 8.359 7.508 0.851 17992 2865 1 5 . 1 1 121 121 GLU N N 121 117.504 117.504 118.835 -1.331 17992 2866 1 5 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.104 0.110 17992 2867 1 5 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.810 0.430 17992 2868 1 5 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.665 -1.282 17992 2869 1 5 . 1 1 121 121 GLU H H 121 8.222 8.222 8.094 0.128 17992 2870 1 5 . 1 1 122 122 PHE N N 122 121.586 121.586 118.586 3.000 17992 2871 1 5 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.330 -0.036 17992 2872 1 5 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.412 0.162 17992 2873 1 5 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.680 -0.321 17992 2874 1 5 . 1 1 122 122 PHE H H 122 8.562 8.562 7.450 1.112 17992 2875 1 5 . 1 1 123 123 VAL N N 123 121.558 121.558 119.749 1.809 17992 2876 1 5 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.762 -0.246 17992 2877 1 5 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.515 2.093 17992 2878 1 5 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.295 0.166 17992 2879 1 5 . 1 1 123 123 VAL H H 123 8.784 8.784 7.946 0.838 17992 2880 1 5 . 1 1 124 124 GLU N N 124 118.314 118.314 119.202 -0.888 17992 2881 1 5 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.084 -0.042 17992 2882 1 5 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.139 1.068 17992 2883 1 5 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.415 -0.990 17992 2884 1 5 . 1 1 124 124 GLU H H 124 8.564 8.564 7.838 0.726 17992 2885 1 5 . 1 1 125 125 SER N N 125 114.779 114.779 115.499 -0.720 17992 2886 1 5 . 1 1 125 125 SER HA H 125 4.265 4.265 4.245 0.020 17992 2887 1 5 . 1 1 125 125 SER CA C 125 62.342 62.342 61.524 0.818 17992 2888 1 5 . 1 1 125 125 SER CB C 125 63.162 63.162 63.275 -0.113 17992 2889 1 5 . 1 1 125 125 SER H H 125 8.348 8.348 8.321 0.027 17992 2890 1 5 . 1 1 126 126 SER N N 126 118.464 118.464 118.599 -0.135 17992 2891 1 5 . 1 1 126 126 SER HA H 126 4.069 4.069 4.421 -0.352 17992 2892 1 5 . 1 1 126 126 SER CA C 126 62.846 62.846 61.847 0.999 17992 2893 1 5 . 1 1 126 126 SER H H 126 8.144 8.144 7.857 0.287 17992 2894 1 5 . 1 1 127 127 ILE N N 127 124.705 124.705 115.569 9.136 17992 2895 1 5 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.180 -0.499 17992 2896 1 5 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.054 2.587 17992 2897 1 5 . 1 1 127 127 ILE CB C 127 38.034 38.034 38.099 -0.065 17992 2898 1 5 . 1 1 127 127 ILE H H 127 8.280 8.280 7.652 0.628 17992 2899 1 5 . 1 1 128 128 LYS N N 128 119.907 119.907 120.454 -0.547 17992 2900 1 5 . 1 1 128 128 LYS CA C 128 59.885 59.885 58.394 1.491 17992 2901 1 5 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.212 0.036 17992 2902 1 5 . 1 1 128 128 LYS H H 128 7.741 7.741 7.189 0.552 17992 2903 1 5 . 1 1 129 129 ILE N N 129 118.807 118.807 120.207 -1.400 17992 2904 1 5 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.780 0.327 17992 2905 1 5 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.675 -0.283 17992 2906 1 5 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.006 0.044 17992 2907 1 5 . 1 1 129 129 ILE H H 129 8.215 8.215 8.545 -0.330 17992 2908 1 5 . 1 1 130 130 THR N N 130 117.328 117.328 113.068 4.260 17992 2909 1 5 . 1 1 130 130 THR HA H 130 3.921 3.921 3.869 0.052 17992 2910 1 5 . 1 1 130 130 THR CA C 130 68.210 68.210 65.701 2.509 17992 2911 1 5 . 1 1 130 130 THR H H 130 7.988 7.988 7.830 0.158 17992 2912 1 5 . 1 1 131 131 GLU N N 131 118.968 118.968 121.639 -2.671 17992 2913 1 5 . 1 1 131 131 GLU HA H 131 3.978 3.978 3.970 0.008 17992 2914 1 5 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.128 0.472 17992 2915 1 5 . 1 1 131 131 GLU H H 131 8.439 8.439 7.713 0.726 17992 2916 1 5 . 1 1 132 132 GLU N N 132 118.712 118.712 117.936 0.776 17992 2917 1 5 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.220 0.006 17992 2918 1 5 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.295 0.972 17992 2919 1 5 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.048 -1.429 17992 2920 1 5 . 1 1 132 132 GLU H H 132 7.987 7.987 7.618 0.369 17992 2921 1 5 . 1 1 133 133 VAL N N 133 120.060 120.060 120.478 -0.418 17992 2922 1 5 . 1 1 133 133 VAL HA H 133 3.867 3.867 4.045 -0.178 17992 2923 1 5 . 1 1 133 133 VAL CA C 133 66.330 66.330 63.920 2.410 17992 2924 1 5 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.467 -0.311 17992 2925 1 5 . 1 1 133 133 VAL H H 133 8.341 8.341 7.767 0.574 17992 2926 1 5 . 1 1 134 134 ILE N N 134 119.699 119.699 120.726 -1.027 17992 2927 1 5 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.825 0.035 17992 2928 1 5 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.810 1.374 17992 2929 1 5 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.513 0.389 17992 2930 1 5 . 1 1 134 134 ILE H H 134 8.331 8.331 7.629 0.702 17992 2931 1 5 . 1 1 135 135 ASN N N 135 117.396 117.396 116.917 0.479 17992 2932 1 5 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.573 0.102 17992 2933 1 5 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.863 -0.358 17992 2934 1 5 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.669 0.458 17992 2935 1 5 . 1 1 135 135 ASN H H 135 8.318 8.318 7.905 0.413 17992 2936 1 5 . 1 1 136 136 THR N N 136 111.419 111.419 114.883 -3.464 17992 2937 1 5 . 1 1 136 136 THR HA H 136 4.308 4.308 4.042 0.266 17992 2938 1 5 . 1 1 136 136 THR CA C 136 63.872 63.872 66.909 -3.037 17992 2939 1 5 . 1 1 136 136 THR CB C 136 69.779 69.779 68.674 1.105 17992 2940 1 5 . 1 1 136 136 THR H H 136 8.006 8.006 7.593 0.413 17992 2941 1 5 . 1 1 137 137 HIS N N 137 118.612 118.612 118.448 0.164 17992 2942 1 5 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.471 0.232 17992 2943 1 5 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.347 -1.887 17992 2944 1 5 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.772 -1.060 17992 2945 1 5 . 1 1 137 137 HIS H H 137 8.013 8.013 7.587 0.426 17992 2946 1 5 . 1 1 138 138 HIS N N 138 118.709 118.709 117.017 1.692 17992 2947 1 5 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.666 0.160 17992 2948 1 5 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.273 -1.759 17992 2949 1 5 . 1 1 138 138 HIS CB C 138 29.246 29.246 31.214 -1.968 17992 2950 1 5 . 1 1 138 138 HIS H H 138 8.169 8.169 7.673 0.496 17992 2951 1 5 . 1 1 139 139 ARG N N 139 123.025 123.025 120.067 2.958 17992 2952 1 5 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.119 0.447 17992 2953 1 5 . 1 1 139 139 ARG CA C 139 56.394 56.394 59.278 -2.884 17992 2954 1 5 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.861 0.160 17992 2955 1 5 . 1 1 139 139 ARG H H 139 8.419 8.419 7.929 0.490 17992 2956 1 6 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.292 0.446 17992 2957 1 6 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.132 -0.356 17992 2958 1 6 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.235 0.108 17992 2959 1 6 . 1 1 8 8 HIS H H 8 8.686 8.686 8.103 0.583 17992 2960 1 6 . 1 1 9 9 ALA N N 9 124.079 124.079 123.165 0.914 17992 2961 1 6 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.409 -0.022 17992 2962 1 6 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.681 0.606 17992 2963 1 6 . 1 1 9 9 ALA CB C 9 19.175 19.175 19.626 -0.451 17992 2964 1 6 . 1 1 9 9 ALA H H 9 8.457 8.457 8.138 0.319 17992 2965 1 6 . 1 1 10 10 MET N N 10 120.430 120.430 119.534 0.896 17992 2966 1 6 . 1 1 10 10 MET HA H 10 4.390 4.390 4.140 0.250 17992 2967 1 6 . 1 1 10 10 MET CA C 10 57.753 57.753 58.452 -0.699 17992 2968 1 6 . 1 1 10 10 MET CB C 10 32.355 32.355 32.910 -0.555 17992 2969 1 6 . 1 1 10 10 MET H H 10 8.545 8.545 7.951 0.594 17992 2970 1 6 . 1 1 11 11 VAL N N 11 119.159 119.159 116.257 2.902 17992 2971 1 6 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.793 0.223 17992 2972 1 6 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.803 1.468 17992 2973 1 6 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.438 0.173 17992 2974 1 6 . 1 1 11 11 VAL H H 11 8.339 8.339 7.765 0.574 17992 2975 1 6 . 1 1 12 12 ILE N N 12 119.461 119.461 119.016 0.445 17992 2976 1 6 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.968 -0.015 17992 2977 1 6 . 1 1 12 12 ILE CA C 12 64.334 64.334 62.837 1.497 17992 2978 1 6 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.431 -0.936 17992 2979 1 6 . 1 1 12 12 ILE H H 12 7.705 7.705 7.794 -0.089 17992 2980 1 6 . 1 1 13 13 ASP N N 13 119.460 119.460 120.034 -0.574 17992 2981 1 6 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.577 -0.193 17992 2982 1 6 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.042 1.482 17992 2983 1 6 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.906 -1.494 17992 2984 1 6 . 1 1 13 13 ASP H H 13 8.172 8.172 7.724 0.448 17992 2985 1 6 . 1 1 14 14 HIS N N 14 116.421 116.421 116.794 -0.373 17992 2986 1 6 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.570 -0.030 17992 2987 1 6 . 1 1 14 14 HIS CA C 14 58.748 58.748 56.784 1.964 17992 2988 1 6 . 1 1 14 14 HIS CB C 14 28.652 28.652 29.718 -1.066 17992 2989 1 6 . 1 1 14 14 HIS H H 14 8.138 8.138 8.284 -0.146 17992 2990 1 6 . 1 1 15 15 ILE N N 15 119.970 119.970 118.868 1.102 17992 2991 1 6 . 1 1 15 15 ILE HA H 15 3.808 3.808 4.103 -0.295 17992 2992 1 6 . 1 1 15 15 ILE CA C 15 65.404 65.404 61.755 3.649 17992 2993 1 6 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.160 0.627 17992 2994 1 6 . 1 1 15 15 ILE H H 15 8.224 8.224 7.423 0.801 17992 2995 1 6 . 1 1 16 16 LEU N N 16 118.635 118.635 122.455 -3.820 17992 2996 1 6 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.043 0.949 17992 2997 1 6 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.708 0.078 17992 2998 1 6 . 1 1 16 16 LEU H H 16 8.480 8.480 7.899 0.581 17992 2999 1 6 . 1 1 17 17 LYS N N 17 118.257 118.257 116.922 1.335 17992 3000 1 6 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.023 0.071 17992 3001 1 6 . 1 1 17 17 LYS CA C 17 59.882 59.882 58.815 1.067 17992 3002 1 6 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.434 0.782 17992 3003 1 6 . 1 1 17 17 LYS H H 17 8.098 8.098 8.257 -0.159 17992 3004 1 6 . 1 1 18 18 CYS N N 18 117.220 117.220 119.016 -1.796 17992 3005 1 6 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.303 0.026 17992 3006 1 6 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.584 0.634 17992 3007 1 6 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.677 -0.855 17992 3008 1 6 . 1 1 18 18 CYS H H 18 7.899 7.899 7.909 -0.010 17992 3009 1 6 . 1 1 19 19 VAL N N 19 118.929 118.929 120.110 -1.181 17992 3010 1 6 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.951 -0.226 17992 3011 1 6 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.480 1.600 17992 3012 1 6 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.332 -0.275 17992 3013 1 6 . 1 1 19 19 VAL H H 19 8.352 8.352 7.597 0.755 17992 3014 1 6 . 1 1 20 20 PHE N N 20 120.244 120.244 119.592 0.652 17992 3015 1 6 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.281 -0.007 17992 3016 1 6 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.561 1.065 17992 3017 1 6 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.407 -0.327 17992 3018 1 6 . 1 1 20 20 PHE H H 20 8.791 8.791 8.695 0.096 17992 3019 1 6 . 1 1 21 21 ASP N N 21 118.761 118.761 120.383 -1.622 17992 3020 1 6 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.431 -0.068 17992 3021 1 6 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.232 0.285 17992 3022 1 6 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.874 -0.806 17992 3023 1 6 . 1 1 21 21 ASP H H 21 8.705 8.705 7.835 0.870 17992 3024 1 6 . 1 1 22 22 LYS N N 22 118.200 118.200 119.595 -1.395 17992 3025 1 6 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.009 0.185 17992 3026 1 6 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.145 -0.553 17992 3027 1 6 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.271 0.028 17992 3028 1 6 . 1 1 22 22 LYS H H 22 7.810 7.810 7.618 0.192 17992 3029 1 6 . 1 1 23 23 ILE N N 23 118.534 118.534 118.752 -0.218 17992 3030 1 6 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.450 0.331 17992 3031 1 6 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.275 0.821 17992 3032 1 6 . 1 1 23 23 ILE H H 23 8.351 8.351 7.517 0.834 17992 3033 1 6 . 1 1 24 24 CYS N N 24 117.155 117.155 115.802 1.353 17992 3034 1 6 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.190 -0.141 17992 3035 1 6 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.545 1.954 17992 3036 1 6 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.218 -0.592 17992 3037 1 6 . 1 1 24 24 CYS H H 24 8.203 8.203 7.898 0.305 17992 3038 1 6 . 1 1 25 25 LYS N N 25 119.995 119.995 121.742 -1.747 17992 3039 1 6 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.004 -0.242 17992 3040 1 6 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.635 -0.250 17992 3041 1 6 . 1 1 25 25 LYS H H 25 7.760 7.760 7.516 0.244 17992 3042 1 6 . 1 1 26 26 ILE N N 26 119.168 119.168 119.229 -0.061 17992 3043 1 6 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.679 0.295 17992 3044 1 6 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.274 0.832 17992 3045 1 6 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.699 -0.143 17992 3046 1 6 . 1 1 26 26 ILE H H 26 8.055 8.055 8.322 -0.267 17992 3047 1 6 . 1 1 27 27 GLY N N 27 108.257 108.257 106.062 2.195 17992 3048 1 6 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.517 -0.528 17992 3049 1 6 . 1 1 27 27 GLY H H 27 8.568 8.568 7.706 0.862 17992 3050 1 6 . 1 1 28 28 THR N N 28 112.727 112.727 116.690 -3.963 17992 3051 1 6 . 1 1 28 28 THR HA H 28 3.912 3.912 3.885 0.027 17992 3052 1 6 . 1 1 28 28 THR CA C 28 64.717 64.717 66.196 -1.479 17992 3053 1 6 . 1 1 28 28 THR CB C 28 69.375 69.375 68.161 1.214 17992 3054 1 6 . 1 1 28 28 THR H H 28 8.059 8.059 7.678 0.381 17992 3055 1 6 . 1 1 29 29 GLU N N 29 120.068 120.068 120.089 -0.021 17992 3056 1 6 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.913 -1.308 17992 3057 1 6 . 1 1 29 29 GLU CB C 29 29.093 29.093 28.732 0.361 17992 3058 1 6 . 1 1 29 29 GLU H H 29 8.113 8.113 7.561 0.552 17992 3059 1 6 . 1 1 30 30 SER N N 30 114.882 114.882 115.401 -0.519 17992 3060 1 6 . 1 1 30 30 SER HA H 30 4.374 4.374 3.982 0.392 17992 3061 1 6 . 1 1 30 30 SER CA C 30 60.353 60.353 60.381 -0.028 17992 3062 1 6 . 1 1 30 30 SER H H 30 8.060 8.060 7.654 0.406 17992 3063 1 6 . 1 1 31 31 VAL N N 31 122.098 122.098 120.452 1.646 17992 3064 1 6 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.645 0.372 17992 3065 1 6 . 1 1 31 31 VAL CA C 31 64.627 64.627 66.427 -1.800 17992 3066 1 6 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.575 0.410 17992 3067 1 6 . 1 1 31 31 VAL H H 31 8.127 8.127 8.322 -0.195 17992 3068 1 6 . 1 1 32 32 GLU N N 32 120.280 120.280 119.016 1.264 17992 3069 1 6 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.039 0.279 17992 3070 1 6 . 1 1 32 32 GLU CA C 32 57.887 57.887 58.775 -0.888 17992 3071 1 6 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.318 -0.665 17992 3072 1 6 . 1 1 32 32 GLU H H 32 8.243 8.243 7.365 0.878 17992 3073 1 6 . 1 1 33 33 ALA N N 33 121.715 121.715 122.149 -0.434 17992 3074 1 6 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.910 0.279 17992 3075 1 6 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.202 0.522 17992 3076 1 6 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.856 0.872 17992 3077 1 6 . 1 1 33 33 ALA H H 33 8.218 8.218 7.332 0.886 17992 3078 1 6 . 1 1 34 34 GLY N N 34 104.656 104.656 105.173 -0.517 17992 3079 1 6 . 1 1 34 34 GLY CA C 34 47.074 47.074 45.823 1.251 17992 3080 1 6 . 1 1 34 34 GLY H H 34 8.308 8.308 7.712 0.596 17992 3081 1 6 . 1 1 35 35 ARG N N 35 119.958 119.958 120.880 -0.922 17992 3082 1 6 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.351 -0.075 17992 3083 1 6 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.115 1.910 17992 3084 1 6 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.484 0.805 17992 3085 1 6 . 1 1 35 35 ARG H H 35 7.975 7.975 7.424 0.551 17992 3086 1 6 . 1 1 36 36 LEU N N 36 118.931 118.931 121.245 -2.314 17992 3087 1 6 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.142 0.082 17992 3088 1 6 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.209 0.594 17992 3089 1 6 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.651 0.542 17992 3090 1 6 . 1 1 36 36 LEU H H 36 7.958 7.958 8.297 -0.339 17992 3091 1 6 . 1 1 37 37 ILE N N 37 118.087 118.087 119.358 -1.271 17992 3092 1 6 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.727 0.204 17992 3093 1 6 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.987 -0.128 17992 3094 1 6 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.609 0.430 17992 3095 1 6 . 1 1 37 37 ILE H H 37 7.904 7.904 7.849 0.055 17992 3096 1 6 . 1 1 38 38 GLU N N 38 120.989 120.989 119.401 1.588 17992 3097 1 6 . 1 1 38 38 GLU HA H 38 4.231 4.231 4.026 0.205 17992 3098 1 6 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.299 -0.854 17992 3099 1 6 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.363 -0.351 17992 3100 1 6 . 1 1 38 38 GLU H H 38 8.041 8.041 7.560 0.481 17992 3101 1 6 . 1 1 39 39 LEU N N 39 120.111 120.111 119.438 0.673 17992 3102 1 6 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.108 0.163 17992 3103 1 6 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.123 0.288 17992 3104 1 6 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.664 0.631 17992 3105 1 6 . 1 1 39 39 LEU H H 39 8.173 8.173 7.716 0.457 17992 3106 1 6 . 1 1 40 40 SER N N 40 113.806 113.806 112.116 1.690 17992 3107 1 6 . 1 1 40 40 SER HA H 40 4.312 4.312 4.276 0.036 17992 3108 1 6 . 1 1 40 40 SER CA C 40 60.406 60.406 59.865 0.541 17992 3109 1 6 . 1 1 40 40 SER CB C 40 63.646 63.646 63.651 -0.005 17992 3110 1 6 . 1 1 40 40 SER H H 40 8.031 8.031 7.578 0.453 17992 3111 1 6 . 1 1 41 41 GLN N N 41 120.139 120.139 120.942 -0.803 17992 3112 1 6 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.152 0.244 17992 3113 1 6 . 1 1 41 41 GLN CA C 41 56.601 56.601 56.869 -0.268 17992 3114 1 6 . 1 1 41 41 GLN CB C 41 29.385 29.385 27.394 1.991 17992 3115 1 6 . 1 1 41 41 GLN H H 41 7.956 7.956 7.836 0.120 17992 3116 1 6 . 1 1 42 42 GLU N N 42 119.728 119.728 122.531 -2.803 17992 3117 1 6 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.564 -0.191 17992 3118 1 6 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.364 0.725 17992 3119 1 6 . 1 1 42 42 GLU CB C 42 29.355 29.355 29.670 -0.315 17992 3120 1 6 . 1 1 42 42 GLU H H 42 8.114 8.114 8.184 -0.070 17992 3121 1 6 . 1 1 43 43 GLY N N 43 108.655 108.655 109.279 -0.624 17992 3122 1 6 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.614 0.009 17992 3123 1 6 . 1 1 43 43 GLY H H 43 8.325 8.325 8.706 -0.381 17992 3124 1 6 . 1 1 44 44 GLY N N 44 107.872 107.872 107.199 0.673 17992 3125 1 6 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.965 0.522 17992 3126 1 6 . 1 1 44 44 GLY H H 44 8.105 8.105 8.143 -0.038 17992 3127 1 6 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.807 1.588 17992 3128 1 6 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.416 0.053 17992 3129 1 6 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.257 1.173 17992 3130 1 6 . 1 1 49 49 PRO CB C 49 32.321 32.321 32.124 0.196 17992 3131 1 6 . 1 1 50 50 LEU N N 50 116.864 116.864 118.287 -1.423 17992 3132 1 6 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.389 -0.187 17992 3133 1 6 . 1 1 50 50 LEU CA C 50 57.549 57.549 56.179 1.370 17992 3134 1 6 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.425 1.274 17992 3135 1 6 . 1 1 50 50 LEU H H 50 8.336 8.336 7.885 0.451 17992 3136 1 6 . 1 1 51 51 TYR N N 51 118.433 118.433 120.581 -2.148 17992 3137 1 6 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.174 -0.009 17992 3138 1 6 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.940 0.095 17992 3139 1 6 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.069 0.415 17992 3140 1 6 . 1 1 51 51 TYR H H 51 7.765 7.765 7.800 -0.035 17992 3141 1 6 . 1 1 52 52 PHE N N 52 117.945 117.945 120.207 -2.262 17992 3142 1 6 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.478 0.782 17992 3143 1 6 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.206 0.045 17992 3144 1 6 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.029 0.290 17992 3145 1 6 . 1 1 52 52 PHE H H 52 7.873 7.873 7.651 0.222 17992 3146 1 6 . 1 1 53 53 VAL N N 53 117.468 117.468 118.439 -0.971 17992 3147 1 6 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.466 0.186 17992 3148 1 6 . 1 1 53 53 VAL CA C 53 66.298 66.298 64.911 1.387 17992 3149 1 6 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.298 0.512 17992 3150 1 6 . 1 1 53 53 VAL H H 53 7.864 7.864 7.600 0.264 17992 3151 1 6 . 1 1 54 54 VAL N N 54 116.929 116.929 120.711 -3.782 17992 3152 1 6 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.744 -0.042 17992 3153 1 6 . 1 1 54 54 VAL CA C 54 66.067 66.067 65.902 0.165 17992 3154 1 6 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.720 0.081 17992 3155 1 6 . 1 1 54 54 VAL H H 54 7.958 7.958 7.877 0.081 17992 3156 1 6 . 1 1 55 55 ASN N N 55 115.543 115.543 117.660 -2.117 17992 3157 1 6 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.573 0.057 17992 3158 1 6 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.509 -0.049 17992 3159 1 6 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.207 0.722 17992 3160 1 6 . 1 1 55 55 ASN H H 55 7.823 7.823 7.961 -0.138 17992 3161 1 6 . 1 1 56 56 VAL N N 56 116.125 116.125 119.765 -3.640 17992 3162 1 6 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.752 0.345 17992 3163 1 6 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.109 -0.970 17992 3164 1 6 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.824 0.179 17992 3165 1 6 . 1 1 56 56 VAL H H 56 7.664 7.664 7.554 0.110 17992 3166 1 6 . 1 1 57 57 ILE N N 57 116.872 116.872 118.592 -1.720 17992 3167 1 6 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.731 0.278 17992 3168 1 6 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.684 0.866 17992 3169 1 6 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.724 1.039 17992 3170 1 6 . 1 1 57 57 ILE H H 57 7.587 7.587 7.698 -0.111 17992 3171 1 6 . 1 1 58 58 GLU N N 58 118.190 118.190 120.709 -2.519 17992 3172 1 6 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.078 0.121 17992 3173 1 6 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.808 -1.503 17992 3174 1 6 . 1 1 58 58 GLU H H 58 8.114 8.114 7.803 0.311 17992 3175 1 6 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.360 0.149 17992 3176 1 6 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.110 0.452 17992 3177 1 6 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.290 0.176 17992 3178 1 6 . 1 1 60 60 CYS N N 60 115.035 115.035 117.858 -2.823 17992 3179 1 6 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.165 0.103 17992 3180 1 6 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.153 -0.040 17992 3181 1 6 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.093 -0.103 17992 3182 1 6 . 1 1 60 60 CYS H H 60 7.913 7.913 7.521 0.392 17992 3183 1 6 . 1 1 61 61 LYS N N 61 121.184 121.184 120.181 1.003 17992 3184 1 6 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.914 0.358 17992 3185 1 6 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.159 -1.070 17992 3186 1 6 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.060 0.368 17992 3187 1 6 . 1 1 61 61 LYS H H 61 8.197 8.197 8.075 0.122 17992 3188 1 6 . 1 1 62 62 LYS N N 62 118.253 118.253 117.045 1.208 17992 3189 1 6 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.079 -1.235 17992 3190 1 6 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.255 -0.166 17992 3191 1 6 . 1 1 62 62 LYS H H 62 7.982 7.982 7.846 0.136 17992 3192 1 6 . 1 1 63 63 PHE N N 63 118.763 118.763 117.865 0.898 17992 3193 1 6 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.439 -0.184 17992 3194 1 6 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.548 0.986 17992 3195 1 6 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.553 -0.403 17992 3196 1 6 . 1 1 63 63 PHE H H 63 8.155 8.155 7.586 0.569 17992 3197 1 6 . 1 1 64 64 SER N N 64 114.881 114.881 115.552 -0.671 17992 3198 1 6 . 1 1 64 64 SER HA H 64 4.268 4.268 4.183 0.085 17992 3199 1 6 . 1 1 64 64 SER CA C 64 61.588 61.588 61.775 -0.187 17992 3200 1 6 . 1 1 64 64 SER CB C 64 63.175 63.175 62.962 0.213 17992 3201 1 6 . 1 1 64 64 SER H H 64 8.218 8.218 8.063 0.155 17992 3202 1 6 . 1 1 65 65 GLU N N 65 120.937 120.937 120.006 0.931 17992 3203 1 6 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.126 0.158 17992 3204 1 6 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.782 -0.571 17992 3205 1 6 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.618 -0.656 17992 3206 1 6 . 1 1 65 65 GLU H H 65 8.067 8.067 7.712 0.355 17992 3207 1 6 . 1 1 66 66 LEU N N 66 118.904 118.904 119.273 -0.369 17992 3208 1 6 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.051 0.212 17992 3209 1 6 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.202 0.020 17992 3210 1 6 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.252 1.073 17992 3211 1 6 . 1 1 66 66 LEU H H 66 8.003 8.003 7.569 0.434 17992 3212 1 6 . 1 1 67 67 THR N N 67 108.190 108.190 110.704 -2.514 17992 3213 1 6 . 1 1 67 67 THR HA H 67 4.043 4.043 4.248 -0.205 17992 3214 1 6 . 1 1 67 67 THR CA C 67 64.579 64.579 65.668 -1.089 17992 3215 1 6 . 1 1 67 67 THR CB C 67 69.410 69.410 68.671 0.739 17992 3216 1 6 . 1 1 67 67 THR H H 67 7.783 7.783 7.802 -0.019 17992 3217 1 6 . 1 1 68 68 GLY N N 68 108.141 108.141 108.536 -0.395 17992 3218 1 6 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.379 0.865 17992 3219 1 6 . 1 1 68 68 GLY H H 68 7.964 7.964 7.638 0.326 17992 3220 1 6 . 1 1 69 69 LEU N N 69 120.124 120.124 121.094 -0.970 17992 3221 1 6 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.599 -0.247 17992 3222 1 6 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.810 0.676 17992 3223 1 6 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.612 -0.238 17992 3224 1 6 . 1 1 69 69 LEU H H 69 7.749 7.749 7.662 0.087 17992 3225 1 6 . 1 1 70 70 VAL N N 70 115.546 115.546 117.694 -2.148 17992 3226 1 6 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.914 0.021 17992 3227 1 6 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.977 -1.347 17992 3228 1 6 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.501 -0.237 17992 3229 1 6 . 1 1 70 70 VAL H H 70 7.607 7.607 7.586 0.021 17992 3230 1 6 . 1 1 71 71 PHE N N 71 119.035 119.035 116.543 2.492 17992 3231 1 6 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.556 0.002 17992 3232 1 6 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.118 -0.571 17992 3233 1 6 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.642 -0.342 17992 3234 1 6 . 1 1 71 71 PHE H H 71 7.618 7.618 8.015 -0.397 17992 3235 1 6 . 1 1 72 72 TYR N N 72 118.365 118.365 117.549 0.816 17992 3236 1 6 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.632 -0.053 17992 3237 1 6 . 1 1 72 72 TYR CA C 72 58.097 58.097 58.986 -0.889 17992 3238 1 6 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.943 -1.698 17992 3239 1 6 . 1 1 72 72 TYR H H 72 7.740 7.740 7.913 -0.173 17992 3240 1 6 . 1 1 73 73 LEU N N 73 121.184 121.184 122.649 -1.465 17992 3241 1 6 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.749 -0.174 17992 3242 1 6 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.243 1.306 17992 3243 1 6 . 1 1 73 73 LEU CB C 73 42.081 42.081 42.151 -0.070 17992 3244 1 6 . 1 1 73 73 LEU H H 73 7.713 7.713 8.029 -0.316 17992 3245 1 6 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.583 0.055 17992 3246 1 6 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.842 0.362 17992 3247 1 6 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.231 -0.550 17992 3248 1 6 . 1 1 75 75 THR N N 75 113.231 113.231 115.628 -2.397 17992 3249 1 6 . 1 1 75 75 THR HA H 75 4.339 4.339 4.452 -0.113 17992 3250 1 6 . 1 1 75 75 THR CA C 75 62.684 62.684 63.051 -0.367 17992 3251 1 6 . 1 1 75 75 THR H H 75 8.217 8.217 8.213 0.004 17992 3252 1 6 . 1 1 76 76 ASP N N 76 120.892 120.892 117.671 3.221 17992 3253 1 6 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.663 0.127 17992 3254 1 6 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.618 0.620 17992 3255 1 6 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.057 -1.742 17992 3256 1 6 . 1 1 76 76 ASP H H 76 8.406 8.406 7.641 0.765 17992 3257 1 6 . 1 1 77 77 SER N N 77 115.861 115.861 114.437 1.424 17992 3258 1 6 . 1 1 77 77 SER HA H 77 4.345 4.345 4.359 -0.014 17992 3259 1 6 . 1 1 77 77 SER CA C 77 60.528 60.528 59.489 1.038 17992 3260 1 6 . 1 1 77 77 SER CB C 77 63.812 63.812 63.869 -0.057 17992 3261 1 6 . 1 1 77 77 SER H H 77 8.238 8.238 8.479 -0.241 17992 3262 1 6 . 1 1 78 78 GLY N N 78 110.440 110.440 106.812 3.628 17992 3263 1 6 . 1 1 78 78 GLY CA C 78 46.653 46.653 44.973 1.680 17992 3264 1 6 . 1 1 78 78 GLY H H 78 8.570 8.570 7.820 0.750 17992 3265 1 6 . 1 1 79 79 GLU N N 79 121.242 121.242 121.917 -0.675 17992 3266 1 6 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.086 0.234 17992 3267 1 6 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.370 -1.352 17992 3268 1 6 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.865 -0.783 17992 3269 1 6 . 1 1 79 79 GLU H H 79 8.237 8.237 8.533 -0.296 17992 3270 1 6 . 1 1 80 80 LYS N N 80 119.708 119.708 118.833 0.875 17992 3271 1 6 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.061 0.258 17992 3272 1 6 . 1 1 80 80 LYS CA C 80 57.881 57.881 59.090 -1.209 17992 3273 1 6 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.684 1.062 17992 3274 1 6 . 1 1 80 80 LYS H H 80 8.252 8.252 8.679 -0.427 17992 3275 1 6 . 1 1 81 81 MET N N 81 119.849 119.849 117.338 2.511 17992 3276 1 6 . 1 1 81 81 MET HA H 81 4.367 4.367 4.280 0.087 17992 3277 1 6 . 1 1 81 81 MET CA C 81 57.845 57.845 59.119 -1.274 17992 3278 1 6 . 1 1 81 81 MET CB C 81 32.658 32.658 32.185 0.473 17992 3279 1 6 . 1 1 81 81 MET H H 81 8.419 8.419 7.943 0.476 17992 3280 1 6 . 1 1 82 82 THR N N 82 114.947 114.947 115.359 -0.412 17992 3281 1 6 . 1 1 82 82 THR HA H 82 4.132 4.132 3.967 0.165 17992 3282 1 6 . 1 1 82 82 THR CA C 82 65.377 65.377 66.218 -0.841 17992 3283 1 6 . 1 1 82 82 THR CB C 82 69.035 69.035 68.622 0.413 17992 3284 1 6 . 1 1 82 82 THR H H 82 8.115 8.115 8.205 -0.090 17992 3285 1 6 . 1 1 83 83 GLU N N 83 121.416 121.416 119.276 2.140 17992 3286 1 6 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.246 0.127 17992 3287 1 6 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.371 -0.307 17992 3288 1 6 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.746 -0.804 17992 3289 1 6 . 1 1 83 83 GLU H H 83 8.336 8.336 8.327 0.009 17992 3290 1 6 . 1 1 84 84 SER N N 84 115.783 115.783 114.258 1.525 17992 3291 1 6 . 1 1 84 84 SER HA H 84 4.278 4.278 4.398 -0.120 17992 3292 1 6 . 1 1 84 84 SER CA C 84 61.685 61.685 60.084 1.601 17992 3293 1 6 . 1 1 84 84 SER H H 84 8.191 8.191 7.824 0.367 17992 3294 1 6 . 1 1 85 85 LYS N N 85 121.318 121.318 123.357 -2.039 17992 3295 1 6 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.186 -0.101 17992 3296 1 6 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.349 0.439 17992 3297 1 6 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.428 0.002 17992 3298 1 6 . 1 1 85 85 LYS H H 85 8.113 8.113 8.049 0.064 17992 3299 1 6 . 1 1 86 86 SER N N 86 115.042 115.042 113.402 1.640 17992 3300 1 6 . 1 1 86 86 SER HA H 86 4.389 4.389 4.339 0.050 17992 3301 1 6 . 1 1 86 86 SER CA C 86 61.437 61.437 60.893 0.544 17992 3302 1 6 . 1 1 86 86 SER CB C 86 63.116 63.116 63.005 0.111 17992 3303 1 6 . 1 1 86 86 SER H H 86 8.066 8.066 7.858 0.208 17992 3304 1 6 . 1 1 87 87 VAL N N 87 122.920 122.920 120.931 1.989 17992 3305 1 6 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.943 0.437 17992 3306 1 6 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.219 0.904 17992 3307 1 6 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.935 -0.556 17992 3308 1 6 . 1 1 87 87 VAL H H 87 8.103 8.103 7.627 0.476 17992 3309 1 6 . 1 1 88 88 LEU N N 88 119.501 119.501 120.886 -1.385 17992 3310 1 6 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.036 0.086 17992 3311 1 6 . 1 1 88 88 LEU CA C 88 57.906 57.906 58.098 -0.192 17992 3312 1 6 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.255 0.689 17992 3313 1 6 . 1 1 88 88 LEU H H 88 8.146 8.146 7.542 0.604 17992 3314 1 6 . 1 1 89 89 LYS N N 89 120.285 120.285 118.169 2.116 17992 3315 1 6 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.126 -0.031 17992 3316 1 6 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.038 0.848 17992 3317 1 6 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.397 -0.171 17992 3318 1 6 . 1 1 89 89 LYS H H 89 8.245 8.245 7.647 0.598 17992 3319 1 6 . 1 1 90 90 SER N N 90 115.131 115.131 113.985 1.146 17992 3320 1 6 . 1 1 90 90 SER HA H 90 4.362 4.362 4.338 0.024 17992 3321 1 6 . 1 1 90 90 SER CA C 90 61.815 61.815 60.185 1.630 17992 3322 1 6 . 1 1 90 90 SER H H 90 8.037 8.037 7.587 0.450 17992 3323 1 6 . 1 1 91 91 LEU N N 91 120.855 120.855 122.243 -1.388 17992 3324 1 6 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.236 -0.088 17992 3325 1 6 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.428 0.985 17992 3326 1 6 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.776 0.399 17992 3327 1 6 . 1 1 91 91 LEU H H 91 8.445 8.445 7.831 0.614 17992 3328 1 6 . 1 1 92 92 THR N N 92 112.933 112.933 115.304 -2.371 17992 3329 1 6 . 1 1 92 92 THR HA H 92 3.904 3.904 3.863 0.041 17992 3330 1 6 . 1 1 92 92 THR CA C 92 67.390 67.390 66.789 0.601 17992 3331 1 6 . 1 1 92 92 THR CB C 92 69.367 69.367 68.198 1.169 17992 3332 1 6 . 1 1 92 92 THR H H 92 8.383 8.383 7.638 0.745 17992 3333 1 6 . 1 1 93 93 GLU N N 93 120.387 120.387 120.586 -0.199 17992 3334 1 6 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.474 0.013 17992 3335 1 6 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.509 -0.364 17992 3336 1 6 . 1 1 93 93 GLU H H 93 7.971 7.971 8.370 -0.399 17992 3337 1 6 . 1 1 94 94 LYS N N 94 118.470 118.470 117.403 1.067 17992 3338 1 6 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.188 -0.022 17992 3339 1 6 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.975 1.071 17992 3340 1 6 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.638 -0.291 17992 3341 1 6 . 1 1 94 94 LYS H H 94 7.804 7.804 7.916 -0.112 17992 3342 1 6 . 1 1 95 95 LEU N N 95 118.397 118.397 118.938 -0.541 17992 3343 1 6 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.209 -0.050 17992 3344 1 6 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.941 0.936 17992 3345 1 6 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.176 -0.227 17992 3346 1 6 . 1 1 95 95 LEU H H 95 8.256 8.256 7.760 0.496 17992 3347 1 6 . 1 1 96 96 LYS N N 96 117.747 117.747 119.332 -1.585 17992 3348 1 6 . 1 1 96 96 LYS HA H 96 3.940 3.940 3.996 -0.056 17992 3349 1 6 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.741 0.541 17992 3350 1 6 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.118 0.231 17992 3351 1 6 . 1 1 96 96 LYS H H 96 8.105 8.105 8.702 -0.597 17992 3352 1 6 . 1 1 97 97 LYS N N 97 116.451 116.451 119.743 -3.292 17992 3353 1 6 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.173 -0.006 17992 3354 1 6 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.589 0.954 17992 3355 1 6 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.144 0.007 17992 3356 1 6 . 1 1 97 97 LYS H H 97 7.520 7.520 7.607 -0.087 17992 3357 1 6 . 1 1 98 98 ILE N N 98 117.587 117.587 122.152 -4.565 17992 3358 1 6 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.744 0.186 17992 3359 1 6 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.845 0.454 17992 3360 1 6 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.056 -0.307 17992 3361 1 6 . 1 1 98 98 ILE H H 98 7.782 7.782 7.650 0.132 17992 3362 1 6 . 1 1 99 99 VAL N N 99 116.989 116.989 118.293 -1.304 17992 3363 1 6 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.636 0.189 17992 3364 1 6 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.116 0.847 17992 3365 1 6 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.481 0.001 17992 3366 1 6 . 1 1 99 99 VAL H H 99 7.917 7.917 7.367 0.550 17992 3367 1 6 . 1 1 100 100 GLU N N 100 116.782 116.782 118.676 -1.894 17992 3368 1 6 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.261 -0.048 17992 3369 1 6 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.769 0.205 17992 3370 1 6 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.143 -1.220 17992 3371 1 6 . 1 1 100 100 GLU H H 100 7.702 7.702 7.991 -0.289 17992 3372 1 6 . 1 1 101 101 LEU N N 101 118.218 118.218 120.324 -2.106 17992 3373 1 6 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.319 -0.164 17992 3374 1 6 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.907 -1.171 17992 3375 1 6 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.464 -0.425 17992 3376 1 6 . 1 1 101 101 LEU H H 101 7.751 7.751 7.696 0.055 17992 3377 1 6 . 1 1 102 102 ILE N N 102 119.412 119.412 115.487 3.925 17992 3378 1 6 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.435 -0.708 17992 3379 1 6 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.907 2.902 17992 3380 1 6 . 1 1 102 102 ILE H H 102 7.559 7.559 7.800 -0.241 17992 3381 1 6 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.576 0.011 17992 3382 1 6 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.849 1.440 17992 3383 1 6 . 1 1 103 103 PRO CB C 103 31.886 31.886 30.414 1.472 17992 3384 1 6 . 1 1 104 104 SER N N 104 112.794 112.794 119.104 -6.310 17992 3385 1 6 . 1 1 104 104 SER HA H 104 4.571 4.571 4.401 0.170 17992 3386 1 6 . 1 1 104 104 SER CA C 104 59.286 59.286 60.701 -1.415 17992 3387 1 6 . 1 1 104 104 SER CB C 104 63.849 63.849 64.002 -0.153 17992 3388 1 6 . 1 1 104 104 SER H H 104 8.100 8.100 8.510 -0.410 17992 3389 1 6 . 1 1 105 105 THR N N 105 114.655 114.655 108.587 6.068 17992 3390 1 6 . 1 1 105 105 THR HA H 105 4.318 4.318 4.518 -0.200 17992 3391 1 6 . 1 1 105 105 THR CA C 105 64.056 64.056 61.298 2.758 17992 3392 1 6 . 1 1 105 105 THR CB C 105 69.861 69.861 70.577 -0.716 17992 3393 1 6 . 1 1 105 105 THR H H 105 8.186 8.186 7.873 0.313 17992 3394 1 6 . 1 1 106 106 SER N N 106 116.165 116.165 114.403 1.762 17992 3395 1 6 . 1 1 106 106 SER HA H 106 4.344 4.344 4.667 -0.323 17992 3396 1 6 . 1 1 106 106 SER CA C 106 60.864 60.864 58.014 2.849 17992 3397 1 6 . 1 1 106 106 SER CB C 106 63.462 63.462 63.152 0.310 17992 3398 1 6 . 1 1 106 106 SER H H 106 8.200 8.200 8.420 -0.220 17992 3399 1 6 . 1 1 107 107 SER N N 107 116.732 116.732 115.873 0.859 17992 3400 1 6 . 1 1 107 107 SER HA H 107 4.413 4.413 4.412 0.001 17992 3401 1 6 . 1 1 107 107 SER CA C 107 60.051 60.051 60.016 0.035 17992 3402 1 6 . 1 1 107 107 SER CB C 107 63.921 63.921 63.227 0.694 17992 3403 1 6 . 1 1 107 107 SER H H 107 8.114 8.114 7.985 0.129 17992 3404 1 6 . 1 1 108 108 ALA N N 108 122.523 122.523 123.776 -1.253 17992 3405 1 6 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.326 0.108 17992 3406 1 6 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.286 -0.804 17992 3407 1 6 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.233 1.097 17992 3408 1 6 . 1 1 108 108 ALA H H 108 8.022 8.022 8.277 -0.255 17992 3409 1 6 . 1 1 109 109 VAL N N 109 117.146 117.146 120.632 -3.486 17992 3410 1 6 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.762 0.026 17992 3411 1 6 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.053 -1.218 17992 3412 1 6 . 1 1 109 109 VAL H H 109 7.829 7.829 8.236 -0.407 17992 3413 1 6 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.284 0.196 17992 3414 1 6 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.739 -0.294 17992 3415 1 6 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.268 0.111 17992 3416 1 6 . 1 1 111 111 LEU N N 111 117.393 117.393 119.130 -1.737 17992 3417 1 6 . 1 1 111 111 LEU HA H 111 4.213 4.213 3.873 0.340 17992 3418 1 6 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.809 -0.026 17992 3419 1 6 . 1 1 111 111 LEU CB C 111 42.448 42.448 41.721 0.727 17992 3420 1 6 . 1 1 111 111 LEU H H 111 7.538 7.538 7.071 0.467 17992 3421 1 6 . 1 1 112 112 ILE N N 112 117.001 117.001 118.267 -1.266 17992 3422 1 6 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.050 -0.049 17992 3423 1 6 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.869 0.757 17992 3424 1 6 . 1 1 112 112 ILE H H 112 8.118 8.118 8.492 -0.374 17992 3425 1 6 . 1 1 113 113 GLY N N 113 106.840 106.840 107.815 -0.975 17992 3426 1 6 . 1 1 113 113 GLY CA C 113 47.772 47.772 46.811 0.961 17992 3427 1 6 . 1 1 113 113 GLY H H 113 8.409 8.409 7.817 0.592 17992 3428 1 6 . 1 1 114 114 LYS N N 114 120.736 120.736 122.166 -1.430 17992 3429 1 6 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.005 0.115 17992 3430 1 6 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.979 0.159 17992 3431 1 6 . 1 1 114 114 LYS H H 114 7.847 7.847 7.485 0.362 17992 3432 1 6 . 1 1 115 115 TYR N N 115 117.055 117.055 116.783 0.272 17992 3433 1 6 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.519 -0.247 17992 3434 1 6 . 1 1 115 115 TYR CA C 115 60.430 60.430 59.251 1.179 17992 3435 1 6 . 1 1 115 115 TYR H H 115 7.891 7.891 7.157 0.734 17992 3436 1 6 . 1 1 116 116 MET H H 116 8.170 8.170 7.553 0.617 17992 3437 1 6 . 1 1 117 117 LEU N N 117 117.768 117.768 119.422 -1.654 17992 3438 1 6 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.108 -0.199 17992 3439 1 6 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.188 1.406 17992 3440 1 6 . 1 1 117 117 LEU CB C 117 41.336 41.336 42.109 -0.773 17992 3441 1 6 . 1 1 117 117 LEU H H 117 7.781 7.781 7.806 -0.025 17992 3442 1 6 . 1 1 118 118 PHE N N 118 118.204 118.204 118.643 -0.439 17992 3443 1 6 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.158 0.270 17992 3444 1 6 . 1 1 118 118 PHE CA C 118 60.735 60.735 62.151 -1.416 17992 3445 1 6 . 1 1 118 118 PHE H H 118 8.024 8.024 7.865 0.159 17992 3446 1 6 . 1 1 119 119 THR N N 119 114.941 114.941 110.486 4.455 17992 3447 1 6 . 1 1 119 119 THR HA H 119 3.972 3.972 4.249 -0.277 17992 3448 1 6 . 1 1 119 119 THR CA C 119 67.518 67.518 64.982 2.536 17992 3449 1 6 . 1 1 119 119 THR CB C 119 69.194 69.194 68.999 0.195 17992 3450 1 6 . 1 1 119 119 THR H H 119 8.171 8.171 7.734 0.436 17992 3451 1 6 . 1 1 120 120 LYS N N 120 121.758 121.758 121.936 -0.178 17992 3452 1 6 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.017 -0.037 17992 3453 1 6 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.247 1.563 17992 3454 1 6 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.298 0.217 17992 3455 1 6 . 1 1 120 120 LYS H H 120 8.359 8.359 7.409 0.950 17992 3456 1 6 . 1 1 121 121 GLU N N 121 117.504 117.504 118.391 -0.887 17992 3457 1 6 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.104 0.110 17992 3458 1 6 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.529 0.711 17992 3459 1 6 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.651 -1.268 17992 3460 1 6 . 1 1 121 121 GLU H H 121 8.222 8.222 8.032 0.190 17992 3461 1 6 . 1 1 122 122 PHE N N 122 121.586 121.586 120.393 1.193 17992 3462 1 6 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.325 -0.031 17992 3463 1 6 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.968 0.606 17992 3464 1 6 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.280 0.079 17992 3465 1 6 . 1 1 122 122 PHE H H 122 8.562 8.562 7.559 1.003 17992 3466 1 6 . 1 1 123 123 VAL N N 123 121.558 121.558 120.175 1.383 17992 3467 1 6 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.705 -0.189 17992 3468 1 6 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.094 1.514 17992 3469 1 6 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.408 0.053 17992 3470 1 6 . 1 1 123 123 VAL H H 123 8.784 8.784 7.605 1.179 17992 3471 1 6 . 1 1 124 124 GLU N N 124 118.314 118.314 119.732 -1.418 17992 3472 1 6 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.148 -0.106 17992 3473 1 6 . 1 1 124 124 GLU CA C 124 60.207 60.207 58.470 1.737 17992 3474 1 6 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.794 -0.369 17992 3475 1 6 . 1 1 124 124 GLU H H 124 8.564 8.564 7.708 0.856 17992 3476 1 6 . 1 1 125 125 SER N N 125 114.779 114.779 116.076 -1.297 17992 3477 1 6 . 1 1 125 125 SER HA H 125 4.265 4.265 4.156 0.109 17992 3478 1 6 . 1 1 125 125 SER CA C 125 62.342 62.342 61.786 0.556 17992 3479 1 6 . 1 1 125 125 SER CB C 125 63.162 63.162 62.747 0.415 17992 3480 1 6 . 1 1 125 125 SER H H 125 8.348 8.348 8.379 -0.031 17992 3481 1 6 . 1 1 126 126 SER N N 126 118.464 118.464 117.911 0.553 17992 3482 1 6 . 1 1 126 126 SER HA H 126 4.069 4.069 4.409 -0.340 17992 3483 1 6 . 1 1 126 126 SER CA C 126 62.846 62.846 62.008 0.839 17992 3484 1 6 . 1 1 126 126 SER H H 126 8.144 8.144 7.916 0.228 17992 3485 1 6 . 1 1 127 127 ILE N N 127 124.705 124.705 118.065 6.640 17992 3486 1 6 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.182 -0.501 17992 3487 1 6 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.279 2.362 17992 3488 1 6 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.600 0.434 17992 3489 1 6 . 1 1 127 127 ILE H H 127 8.280 8.280 7.451 0.829 17992 3490 1 6 . 1 1 128 128 LYS N N 128 119.907 119.907 121.232 -1.325 17992 3491 1 6 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.547 0.338 17992 3492 1 6 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.665 -0.417 17992 3493 1 6 . 1 1 128 128 LYS H H 128 7.741 7.741 7.626 0.115 17992 3494 1 6 . 1 1 129 129 ILE N N 129 118.807 118.807 117.452 1.355 17992 3495 1 6 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.908 0.200 17992 3496 1 6 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.879 -0.488 17992 3497 1 6 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.587 -0.537 17992 3498 1 6 . 1 1 129 129 ILE H H 129 8.215 8.215 8.203 0.012 17992 3499 1 6 . 1 1 130 130 THR N N 130 117.328 117.328 112.939 4.389 17992 3500 1 6 . 1 1 130 130 THR HA H 130 3.921 3.921 3.959 -0.038 17992 3501 1 6 . 1 1 130 130 THR CA C 130 68.210 68.210 65.995 2.215 17992 3502 1 6 . 1 1 130 130 THR H H 130 7.988 7.988 7.996 -0.008 17992 3503 1 6 . 1 1 131 131 GLU N N 131 118.968 118.968 121.119 -2.151 17992 3504 1 6 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.116 -0.138 17992 3505 1 6 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.921 0.679 17992 3506 1 6 . 1 1 131 131 GLU H H 131 8.439 8.439 7.869 0.570 17992 3507 1 6 . 1 1 132 132 GLU N N 132 118.712 118.712 118.883 -0.171 17992 3508 1 6 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.255 -0.029 17992 3509 1 6 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.060 1.207 17992 3510 1 6 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.993 -1.374 17992 3511 1 6 . 1 1 132 132 GLU H H 132 7.987 7.987 7.798 0.189 17992 3512 1 6 . 1 1 133 133 VAL N N 133 120.060 120.060 120.818 -0.758 17992 3513 1 6 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.740 0.127 17992 3514 1 6 . 1 1 133 133 VAL CA C 133 66.330 66.330 65.686 0.644 17992 3515 1 6 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.999 0.157 17992 3516 1 6 . 1 1 133 133 VAL H H 133 8.341 8.341 7.726 0.615 17992 3517 1 6 . 1 1 134 134 ILE N N 134 119.699 119.699 116.993 2.706 17992 3518 1 6 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.818 0.042 17992 3519 1 6 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.817 1.367 17992 3520 1 6 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.241 0.661 17992 3521 1 6 . 1 1 134 134 ILE H H 134 8.331 8.331 7.422 0.909 17992 3522 1 6 . 1 1 135 135 ASN N N 135 117.396 117.396 117.909 -0.513 17992 3523 1 6 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.407 0.268 17992 3524 1 6 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.145 -0.640 17992 3525 1 6 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.349 0.778 17992 3526 1 6 . 1 1 135 135 ASN H H 135 8.318 8.318 8.161 0.157 17992 3527 1 6 . 1 1 136 136 THR N N 136 111.419 111.419 113.638 -2.219 17992 3528 1 6 . 1 1 136 136 THR HA H 136 4.308 4.308 4.305 0.003 17992 3529 1 6 . 1 1 136 136 THR CA C 136 63.872 63.872 66.135 -2.263 17992 3530 1 6 . 1 1 136 136 THR CB C 136 69.779 69.779 69.411 0.368 17992 3531 1 6 . 1 1 136 136 THR H H 136 8.006 8.006 7.948 0.058 17992 3532 1 6 . 1 1 137 137 HIS N N 137 118.612 118.612 120.785 -2.173 17992 3533 1 6 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.394 0.309 17992 3534 1 6 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.149 -1.689 17992 3535 1 6 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.075 -1.363 17992 3536 1 6 . 1 1 137 137 HIS H H 137 8.013 8.013 7.770 0.243 17992 3537 1 6 . 1 1 138 138 HIS N N 138 118.709 118.709 117.493 1.216 17992 3538 1 6 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.126 0.700 17992 3539 1 6 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.671 -3.157 17992 3540 1 6 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.587 -1.341 17992 3541 1 6 . 1 1 138 138 HIS H H 138 8.169 8.169 8.127 0.042 17992 3542 1 6 . 1 1 139 139 ARG N N 139 123.025 123.025 119.517 3.508 17992 3543 1 6 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.990 0.576 17992 3544 1 6 . 1 1 139 139 ARG CA C 139 56.394 56.394 59.042 -2.648 17992 3545 1 6 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.831 0.190 17992 3546 1 6 . 1 1 139 139 ARG H H 139 8.419 8.419 7.817 0.602 17992 3547 1 7 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.796 -0.058 17992 3548 1 7 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.379 0.397 17992 3549 1 7 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.761 -0.417 17992 3550 1 7 . 1 1 8 8 HIS H H 8 8.686 8.686 7.781 0.905 17992 3551 1 7 . 1 1 9 9 ALA N N 9 124.079 124.079 127.020 -2.941 17992 3552 1 7 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.346 0.041 17992 3553 1 7 . 1 1 9 9 ALA CA C 9 53.287 53.287 53.031 0.256 17992 3554 1 7 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.652 -1.477 17992 3555 1 7 . 1 1 9 9 ALA H H 9 8.457 8.457 8.473 -0.016 17992 3556 1 7 . 1 1 10 10 MET N N 10 120.430 120.430 118.728 1.702 17992 3557 1 7 . 1 1 10 10 MET HA H 10 4.390 4.390 4.268 0.122 17992 3558 1 7 . 1 1 10 10 MET CA C 10 57.753 57.753 57.939 -0.186 17992 3559 1 7 . 1 1 10 10 MET CB C 10 32.355 32.355 32.426 -0.071 17992 3560 1 7 . 1 1 10 10 MET H H 10 8.545 8.545 8.181 0.364 17992 3561 1 7 . 1 1 11 11 VAL N N 11 119.159 119.159 116.639 2.520 17992 3562 1 7 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.019 -0.003 17992 3563 1 7 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.242 2.029 17992 3564 1 7 . 1 1 11 11 VAL CB C 11 31.611 31.611 30.640 0.971 17992 3565 1 7 . 1 1 11 11 VAL H H 11 8.339 8.339 7.916 0.423 17992 3566 1 7 . 1 1 12 12 ILE N N 12 119.461 119.461 120.132 -0.671 17992 3567 1 7 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.006 -0.053 17992 3568 1 7 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.747 0.587 17992 3569 1 7 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.115 -0.619 17992 3570 1 7 . 1 1 12 12 ILE H H 12 7.705 7.705 7.856 -0.151 17992 3571 1 7 . 1 1 13 13 ASP N N 13 119.460 119.460 119.472 -0.012 17992 3572 1 7 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.327 0.057 17992 3573 1 7 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.970 1.554 17992 3574 1 7 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.797 -1.385 17992 3575 1 7 . 1 1 13 13 ASP H H 13 8.172 8.172 7.721 0.451 17992 3576 1 7 . 1 1 14 14 HIS N N 14 116.421 116.421 118.402 -1.981 17992 3577 1 7 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.480 0.060 17992 3578 1 7 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.783 -0.035 17992 3579 1 7 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.400 -1.748 17992 3580 1 7 . 1 1 14 14 HIS H H 14 8.138 8.138 7.643 0.495 17992 3581 1 7 . 1 1 15 15 ILE N N 15 119.970 119.970 119.870 0.100 17992 3582 1 7 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.777 0.031 17992 3583 1 7 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.633 0.771 17992 3584 1 7 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.781 0.006 17992 3585 1 7 . 1 1 15 15 ILE H H 15 8.224 8.224 7.674 0.550 17992 3586 1 7 . 1 1 16 16 LEU N N 16 118.635 118.635 122.034 -3.399 17992 3587 1 7 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.187 0.805 17992 3588 1 7 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.679 0.107 17992 3589 1 7 . 1 1 16 16 LEU H H 16 8.480 8.480 7.796 0.684 17992 3590 1 7 . 1 1 17 17 LYS N N 17 118.257 118.257 117.706 0.551 17992 3591 1 7 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.034 0.060 17992 3592 1 7 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.013 0.869 17992 3593 1 7 . 1 1 17 17 LYS CB C 17 32.216 32.216 32.014 0.202 17992 3594 1 7 . 1 1 17 17 LYS H H 17 8.098 8.098 7.843 0.255 17992 3595 1 7 . 1 1 18 18 CYS N N 18 117.220 117.220 118.774 -1.554 17992 3596 1 7 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.264 0.065 17992 3597 1 7 . 1 1 18 18 CYS CA C 18 63.218 63.218 63.669 -0.451 17992 3598 1 7 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.935 -1.113 17992 3599 1 7 . 1 1 18 18 CYS H H 18 7.899 7.899 7.869 0.030 17992 3600 1 7 . 1 1 19 19 VAL N N 19 118.929 118.929 119.820 -0.891 17992 3601 1 7 . 1 1 19 19 VAL HA H 19 3.725 3.725 4.023 -0.298 17992 3602 1 7 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.377 2.703 17992 3603 1 7 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.856 0.201 17992 3604 1 7 . 1 1 19 19 VAL H H 19 8.352 8.352 7.904 0.448 17992 3605 1 7 . 1 1 20 20 PHE N N 20 120.244 120.244 120.073 0.171 17992 3606 1 7 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.206 0.068 17992 3607 1 7 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.552 1.074 17992 3608 1 7 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.554 -0.474 17992 3609 1 7 . 1 1 20 20 PHE H H 20 8.791 8.791 8.888 -0.097 17992 3610 1 7 . 1 1 21 21 ASP N N 21 118.761 118.761 120.450 -1.689 17992 3611 1 7 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.393 -0.030 17992 3612 1 7 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.678 -0.161 17992 3613 1 7 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.892 -0.823 17992 3614 1 7 . 1 1 21 21 ASP H H 21 8.705 8.705 7.981 0.724 17992 3615 1 7 . 1 1 22 22 LYS N N 22 118.200 118.200 119.831 -1.631 17992 3616 1 7 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.076 0.118 17992 3617 1 7 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.995 -0.402 17992 3618 1 7 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.514 -0.215 17992 3619 1 7 . 1 1 22 22 LYS H H 22 7.810 7.810 7.618 0.192 17992 3620 1 7 . 1 1 23 23 ILE N N 23 118.534 118.534 119.355 -0.821 17992 3621 1 7 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.695 0.086 17992 3622 1 7 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.738 0.358 17992 3623 1 7 . 1 1 23 23 ILE H H 23 8.351 8.351 7.591 0.760 17992 3624 1 7 . 1 1 24 24 CYS N N 24 117.155 117.155 116.131 1.024 17992 3625 1 7 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.187 -0.138 17992 3626 1 7 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.334 1.165 17992 3627 1 7 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.509 -0.884 17992 3628 1 7 . 1 1 24 24 CYS H H 24 8.203 8.203 7.634 0.569 17992 3629 1 7 . 1 1 25 25 LYS N N 25 119.995 119.995 121.358 -1.363 17992 3630 1 7 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.425 -0.663 17992 3631 1 7 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.477 -0.092 17992 3632 1 7 . 1 1 25 25 LYS H H 25 7.760 7.760 7.301 0.459 17992 3633 1 7 . 1 1 26 26 ILE N N 26 119.168 119.168 119.361 -0.193 17992 3634 1 7 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.646 0.328 17992 3635 1 7 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.575 0.531 17992 3636 1 7 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.713 -0.157 17992 3637 1 7 . 1 1 26 26 ILE H H 26 8.055 8.055 8.515 -0.460 17992 3638 1 7 . 1 1 27 27 GLY N N 27 108.257 108.257 105.569 2.688 17992 3639 1 7 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.126 -0.137 17992 3640 1 7 . 1 1 27 27 GLY H H 27 8.568 8.568 7.766 0.802 17992 3641 1 7 . 1 1 28 28 THR N N 28 112.727 112.727 113.995 -1.268 17992 3642 1 7 . 1 1 28 28 THR HA H 28 3.912 3.912 4.407 -0.495 17992 3643 1 7 . 1 1 28 28 THR CA C 28 64.717 64.717 64.142 0.575 17992 3644 1 7 . 1 1 28 28 THR CB C 28 69.375 69.375 69.213 0.162 17992 3645 1 7 . 1 1 28 28 THR H H 28 8.059 8.059 7.547 0.512 17992 3646 1 7 . 1 1 29 29 GLU N N 29 120.068 120.068 121.965 -1.897 17992 3647 1 7 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.421 -1.817 17992 3648 1 7 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.610 -0.517 17992 3649 1 7 . 1 1 29 29 GLU H H 29 8.113 8.113 8.245 -0.132 17992 3650 1 7 . 1 1 30 30 SER N N 30 114.882 114.882 115.701 -0.819 17992 3651 1 7 . 1 1 30 30 SER HA H 30 4.374 4.374 4.155 0.218 17992 3652 1 7 . 1 1 30 30 SER CA C 30 60.353 60.353 61.165 -0.812 17992 3653 1 7 . 1 1 30 30 SER H H 30 8.060 8.060 7.975 0.085 17992 3654 1 7 . 1 1 31 31 VAL N N 31 122.098 122.098 119.156 2.942 17992 3655 1 7 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.793 0.224 17992 3656 1 7 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.264 -0.637 17992 3657 1 7 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.368 0.617 17992 3658 1 7 . 1 1 31 31 VAL H H 31 8.127 8.127 7.973 0.154 17992 3659 1 7 . 1 1 32 32 GLU N N 32 120.280 120.280 120.275 0.005 17992 3660 1 7 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.073 0.245 17992 3661 1 7 . 1 1 32 32 GLU CA C 32 57.887 57.887 58.856 -0.969 17992 3662 1 7 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.397 -0.744 17992 3663 1 7 . 1 1 32 32 GLU H H 32 8.243 8.243 7.627 0.616 17992 3664 1 7 . 1 1 33 33 ALA N N 33 121.715 121.715 121.301 0.414 17992 3665 1 7 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.869 0.320 17992 3666 1 7 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.250 0.474 17992 3667 1 7 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.370 1.358 17992 3668 1 7 . 1 1 33 33 ALA H H 33 8.218 8.218 7.538 0.680 17992 3669 1 7 . 1 1 34 34 GLY N N 34 104.656 104.656 105.498 -0.842 17992 3670 1 7 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.325 0.750 17992 3671 1 7 . 1 1 34 34 GLY H H 34 8.308 8.308 7.716 0.592 17992 3672 1 7 . 1 1 35 35 ARG N N 35 119.958 119.958 121.472 -1.514 17992 3673 1 7 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.284 -0.008 17992 3674 1 7 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.167 1.858 17992 3675 1 7 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.933 0.356 17992 3676 1 7 . 1 1 35 35 ARG H H 35 7.975 7.975 7.479 0.496 17992 3677 1 7 . 1 1 36 36 LEU N N 36 118.931 118.931 121.103 -2.172 17992 3678 1 7 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.064 0.160 17992 3679 1 7 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.293 -0.490 17992 3680 1 7 . 1 1 36 36 LEU CB C 36 42.193 42.193 42.002 0.191 17992 3681 1 7 . 1 1 36 36 LEU H H 36 7.958 7.958 8.596 -0.638 17992 3682 1 7 . 1 1 37 37 ILE N N 37 118.087 118.087 118.932 -0.845 17992 3683 1 7 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.634 0.297 17992 3684 1 7 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.642 0.216 17992 3685 1 7 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.653 0.386 17992 3686 1 7 . 1 1 37 37 ILE H H 37 7.904 7.904 7.553 0.351 17992 3687 1 7 . 1 1 38 38 GLU N N 38 120.989 120.989 120.360 0.629 17992 3688 1 7 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.867 0.364 17992 3689 1 7 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.653 -1.208 17992 3690 1 7 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.577 -0.566 17992 3691 1 7 . 1 1 38 38 GLU H H 38 8.041 8.041 7.475 0.566 17992 3692 1 7 . 1 1 39 39 LEU N N 39 120.111 120.111 119.044 1.067 17992 3693 1 7 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.049 0.222 17992 3694 1 7 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.744 -0.333 17992 3695 1 7 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.512 0.783 17992 3696 1 7 . 1 1 39 39 LEU H H 39 8.173 8.173 7.668 0.505 17992 3697 1 7 . 1 1 40 40 SER N N 40 113.806 113.806 112.816 0.990 17992 3698 1 7 . 1 1 40 40 SER HA H 40 4.312 4.312 4.149 0.163 17992 3699 1 7 . 1 1 40 40 SER CA C 40 60.406 60.406 61.015 -0.609 17992 3700 1 7 . 1 1 40 40 SER CB C 40 63.646 63.646 63.136 0.510 17992 3701 1 7 . 1 1 40 40 SER H H 40 8.031 8.031 7.526 0.505 17992 3702 1 7 . 1 1 41 41 GLN N N 41 120.139 120.139 117.927 2.212 17992 3703 1 7 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.339 0.057 17992 3704 1 7 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.018 -0.417 17992 3705 1 7 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.898 -0.513 17992 3706 1 7 . 1 1 41 41 GLN H H 41 7.956 7.956 7.812 0.144 17992 3707 1 7 . 1 1 42 42 GLU N N 42 119.728 119.728 115.426 4.302 17992 3708 1 7 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.349 0.024 17992 3709 1 7 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.992 0.097 17992 3710 1 7 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.865 -2.510 17992 3711 1 7 . 1 1 42 42 GLU H H 42 8.114 8.114 8.504 -0.390 17992 3712 1 7 . 1 1 43 43 GLY N N 43 108.655 108.655 107.114 1.541 17992 3713 1 7 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.489 0.134 17992 3714 1 7 . 1 1 43 43 GLY H H 43 8.325 8.325 8.118 0.207 17992 3715 1 7 . 1 1 44 44 GLY N N 44 107.872 107.872 109.931 -2.059 17992 3716 1 7 . 1 1 44 44 GLY CA C 44 45.487 45.487 45.596 -0.109 17992 3717 1 7 . 1 1 44 44 GLY H H 44 8.105 8.105 7.968 0.137 17992 3718 1 7 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.417 1.978 17992 3719 1 7 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.502 -0.033 17992 3720 1 7 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.511 0.919 17992 3721 1 7 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.955 0.366 17992 3722 1 7 . 1 1 50 50 LEU N N 50 116.864 116.864 117.967 -1.103 17992 3723 1 7 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.378 -0.176 17992 3724 1 7 . 1 1 50 50 LEU CA C 50 57.549 57.549 56.176 1.373 17992 3725 1 7 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.236 1.463 17992 3726 1 7 . 1 1 50 50 LEU H H 50 8.336 8.336 8.137 0.199 17992 3727 1 7 . 1 1 51 51 TYR N N 51 118.433 118.433 122.075 -3.642 17992 3728 1 7 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.119 0.046 17992 3729 1 7 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.703 -0.669 17992 3730 1 7 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.404 0.080 17992 3731 1 7 . 1 1 51 51 TYR H H 51 7.765 7.765 7.746 0.019 17992 3732 1 7 . 1 1 52 52 PHE N N 52 117.945 117.945 118.867 -0.922 17992 3733 1 7 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.925 0.335 17992 3734 1 7 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.347 -0.096 17992 3735 1 7 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.972 0.347 17992 3736 1 7 . 1 1 52 52 PHE H H 52 7.873 7.873 7.930 -0.057 17992 3737 1 7 . 1 1 53 53 VAL N N 53 117.468 117.468 118.789 -1.321 17992 3738 1 7 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.302 0.350 17992 3739 1 7 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.516 0.781 17992 3740 1 7 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.844 -0.034 17992 3741 1 7 . 1 1 53 53 VAL H H 53 7.864 7.864 7.371 0.493 17992 3742 1 7 . 1 1 54 54 VAL N N 54 116.929 116.929 120.566 -3.637 17992 3743 1 7 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.590 0.112 17992 3744 1 7 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.220 -0.153 17992 3745 1 7 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.535 0.266 17992 3746 1 7 . 1 1 54 54 VAL H H 54 7.958 7.958 8.171 -0.213 17992 3747 1 7 . 1 1 55 55 ASN N N 55 115.543 115.543 116.407 -0.864 17992 3748 1 7 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.721 -0.091 17992 3749 1 7 . 1 1 55 55 ASN CA C 55 55.460 55.460 54.981 0.479 17992 3750 1 7 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.757 1.173 17992 3751 1 7 . 1 1 55 55 ASN H H 55 7.823 7.823 8.102 -0.279 17992 3752 1 7 . 1 1 56 56 VAL N N 56 116.125 116.125 117.245 -1.120 17992 3753 1 7 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.862 0.235 17992 3754 1 7 . 1 1 56 56 VAL CA C 56 64.139 64.139 63.197 0.942 17992 3755 1 7 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.291 -0.288 17992 3756 1 7 . 1 1 56 56 VAL H H 56 7.664 7.664 7.149 0.515 17992 3757 1 7 . 1 1 57 57 ILE N N 57 116.872 116.872 118.923 -2.051 17992 3758 1 7 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.943 0.066 17992 3759 1 7 . 1 1 57 57 ILE CA C 57 63.550 63.550 61.863 1.687 17992 3760 1 7 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.076 0.687 17992 3761 1 7 . 1 1 57 57 ILE H H 57 7.587 7.587 7.621 -0.034 17992 3762 1 7 . 1 1 58 58 GLU N N 58 118.190 118.190 120.935 -2.745 17992 3763 1 7 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.069 0.130 17992 3764 1 7 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.934 -1.629 17992 3765 1 7 . 1 1 58 58 GLU H H 58 8.114 8.114 7.696 0.418 17992 3766 1 7 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.321 0.188 17992 3767 1 7 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.219 0.343 17992 3768 1 7 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.266 0.200 17992 3769 1 7 . 1 1 60 60 CYS N N 60 115.035 115.035 117.564 -2.529 17992 3770 1 7 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.053 0.215 17992 3771 1 7 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.655 -1.542 17992 3772 1 7 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.467 -0.477 17992 3773 1 7 . 1 1 60 60 CYS H H 60 7.913 7.913 7.680 0.233 17992 3774 1 7 . 1 1 61 61 LYS N N 61 121.184 121.184 120.205 0.979 17992 3775 1 7 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.004 0.268 17992 3776 1 7 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.170 -1.081 17992 3777 1 7 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.039 0.389 17992 3778 1 7 . 1 1 61 61 LYS H H 61 8.197 8.197 8.262 -0.065 17992 3779 1 7 . 1 1 62 62 LYS N N 62 118.253 118.253 117.248 1.005 17992 3780 1 7 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.543 -0.699 17992 3781 1 7 . 1 1 62 62 LYS CB C 62 32.090 32.090 31.816 0.274 17992 3782 1 7 . 1 1 62 62 LYS H H 62 7.982 7.982 8.075 -0.093 17992 3783 1 7 . 1 1 63 63 PHE N N 63 118.763 118.763 117.313 1.450 17992 3784 1 7 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.480 -0.225 17992 3785 1 7 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.709 0.825 17992 3786 1 7 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.248 -0.098 17992 3787 1 7 . 1 1 63 63 PHE H H 63 8.155 8.155 7.858 0.297 17992 3788 1 7 . 1 1 64 64 SER N N 64 114.881 114.881 117.630 -2.749 17992 3789 1 7 . 1 1 64 64 SER HA H 64 4.268 4.268 3.720 0.548 17992 3790 1 7 . 1 1 64 64 SER CA C 64 61.588 61.588 61.747 -0.159 17992 3791 1 7 . 1 1 64 64 SER CB C 64 63.175 63.175 63.094 0.081 17992 3792 1 7 . 1 1 64 64 SER H H 64 8.218 8.218 8.061 0.157 17992 3793 1 7 . 1 1 65 65 GLU N N 65 120.937 120.937 121.253 -0.316 17992 3794 1 7 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.056 0.228 17992 3795 1 7 . 1 1 65 65 GLU CA C 65 58.211 58.211 59.008 -0.797 17992 3796 1 7 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.376 -0.414 17992 3797 1 7 . 1 1 65 65 GLU H H 65 8.067 8.067 7.809 0.258 17992 3798 1 7 . 1 1 66 66 LEU N N 66 118.904 118.904 119.163 -0.259 17992 3799 1 7 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.099 0.164 17992 3800 1 7 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.086 0.136 17992 3801 1 7 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.389 0.936 17992 3802 1 7 . 1 1 66 66 LEU H H 66 8.003 8.003 7.630 0.373 17992 3803 1 7 . 1 1 67 67 THR N N 67 108.190 108.190 113.077 -4.887 17992 3804 1 7 . 1 1 67 67 THR HA H 67 4.043 4.043 4.070 -0.027 17992 3805 1 7 . 1 1 67 67 THR CA C 67 64.579 64.579 65.616 -1.037 17992 3806 1 7 . 1 1 67 67 THR CB C 67 69.410 69.410 68.523 0.887 17992 3807 1 7 . 1 1 67 67 THR H H 67 7.783 7.783 7.662 0.121 17992 3808 1 7 . 1 1 68 68 GLY N N 68 108.141 108.141 107.725 0.416 17992 3809 1 7 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.362 0.882 17992 3810 1 7 . 1 1 68 68 GLY H H 68 7.964 7.964 7.566 0.398 17992 3811 1 7 . 1 1 69 69 LEU N N 69 120.124 120.124 121.040 -0.916 17992 3812 1 7 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.659 -0.307 17992 3813 1 7 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.850 0.636 17992 3814 1 7 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.832 -0.458 17992 3815 1 7 . 1 1 69 69 LEU H H 69 7.749 7.749 7.532 0.217 17992 3816 1 7 . 1 1 70 70 VAL N N 70 115.546 115.546 117.964 -2.418 17992 3817 1 7 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.924 0.011 17992 3818 1 7 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.942 -1.312 17992 3819 1 7 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.185 0.079 17992 3820 1 7 . 1 1 70 70 VAL H H 70 7.607 7.607 7.565 0.042 17992 3821 1 7 . 1 1 71 71 PHE N N 71 119.035 119.035 116.190 2.845 17992 3822 1 7 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.195 0.363 17992 3823 1 7 . 1 1 71 71 PHE CA C 71 58.547 58.547 58.974 -0.427 17992 3824 1 7 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.142 0.157 17992 3825 1 7 . 1 1 71 71 PHE H H 71 7.618 7.618 7.804 -0.186 17992 3826 1 7 . 1 1 72 72 TYR N N 72 118.365 118.365 115.398 2.967 17992 3827 1 7 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.628 -0.049 17992 3828 1 7 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.101 -1.004 17992 3829 1 7 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.723 -1.479 17992 3830 1 7 . 1 1 72 72 TYR H H 72 7.740 7.740 7.764 -0.024 17992 3831 1 7 . 1 1 73 73 LEU N N 73 121.184 121.184 120.616 0.568 17992 3832 1 7 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.856 -0.281 17992 3833 1 7 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.364 1.185 17992 3834 1 7 . 1 1 73 73 LEU CB C 73 42.081 42.081 42.770 -0.689 17992 3835 1 7 . 1 1 73 73 LEU H H 73 7.713 7.713 7.964 -0.251 17992 3836 1 7 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.686 -0.048 17992 3837 1 7 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.256 0.948 17992 3838 1 7 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.537 -0.856 17992 3839 1 7 . 1 1 75 75 THR N N 75 113.231 113.231 115.017 -1.786 17992 3840 1 7 . 1 1 75 75 THR HA H 75 4.339 4.339 4.152 0.187 17992 3841 1 7 . 1 1 75 75 THR CA C 75 62.684 62.684 64.348 -1.664 17992 3842 1 7 . 1 1 75 75 THR H H 75 8.217 8.217 8.258 -0.041 17992 3843 1 7 . 1 1 76 76 ASP N N 76 120.892 120.892 116.043 4.849 17992 3844 1 7 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.692 0.098 17992 3845 1 7 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.529 0.710 17992 3846 1 7 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.427 -1.112 17992 3847 1 7 . 1 1 76 76 ASP H H 76 8.406 8.406 7.404 1.002 17992 3848 1 7 . 1 1 77 77 SER N N 77 115.861 115.861 114.073 1.788 17992 3849 1 7 . 1 1 77 77 SER HA H 77 4.345 4.345 4.218 0.127 17992 3850 1 7 . 1 1 77 77 SER CA C 77 60.528 60.528 59.357 1.171 17992 3851 1 7 . 1 1 77 77 SER CB C 77 63.812 63.812 63.291 0.521 17992 3852 1 7 . 1 1 77 77 SER H H 77 8.238 8.238 8.467 -0.229 17992 3853 1 7 . 1 1 78 78 GLY N N 78 110.440 110.440 105.690 4.750 17992 3854 1 7 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.078 1.575 17992 3855 1 7 . 1 1 78 78 GLY H H 78 8.570 8.570 7.695 0.875 17992 3856 1 7 . 1 1 79 79 GLU N N 79 121.242 121.242 121.598 -0.356 17992 3857 1 7 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.306 0.015 17992 3858 1 7 . 1 1 79 79 GLU CA C 79 58.018 58.018 58.925 -0.907 17992 3859 1 7 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.760 -0.678 17992 3860 1 7 . 1 1 79 79 GLU H H 79 8.237 8.237 8.023 0.214 17992 3861 1 7 . 1 1 80 80 LYS N N 80 119.708 119.708 118.457 1.251 17992 3862 1 7 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.184 0.135 17992 3863 1 7 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.503 -0.622 17992 3864 1 7 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.152 0.594 17992 3865 1 7 . 1 1 80 80 LYS H H 80 8.252 8.252 8.483 -0.231 17992 3866 1 7 . 1 1 81 81 MET N N 81 119.849 119.849 116.688 3.161 17992 3867 1 7 . 1 1 81 81 MET HA H 81 4.367 4.367 4.482 -0.115 17992 3868 1 7 . 1 1 81 81 MET CA C 81 57.845 57.845 59.126 -1.281 17992 3869 1 7 . 1 1 81 81 MET CB C 81 32.658 32.658 32.432 0.226 17992 3870 1 7 . 1 1 81 81 MET H H 81 8.419 8.419 7.859 0.560 17992 3871 1 7 . 1 1 82 82 THR N N 82 114.947 114.947 114.177 0.770 17992 3872 1 7 . 1 1 82 82 THR HA H 82 4.132 4.132 3.981 0.151 17992 3873 1 7 . 1 1 82 82 THR CA C 82 65.377 65.377 66.222 -0.846 17992 3874 1 7 . 1 1 82 82 THR CB C 82 69.035 69.035 68.466 0.569 17992 3875 1 7 . 1 1 82 82 THR H H 82 8.115 8.115 7.734 0.381 17992 3876 1 7 . 1 1 83 83 GLU N N 83 121.416 121.416 118.352 3.064 17992 3877 1 7 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.381 -0.008 17992 3878 1 7 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.157 -0.093 17992 3879 1 7 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.747 -0.805 17992 3880 1 7 . 1 1 83 83 GLU H H 83 8.336 8.336 7.953 0.383 17992 3881 1 7 . 1 1 84 84 SER N N 84 115.783 115.783 114.332 1.451 17992 3882 1 7 . 1 1 84 84 SER HA H 84 4.278 4.278 4.622 -0.344 17992 3883 1 7 . 1 1 84 84 SER CA C 84 61.685 61.685 60.494 1.191 17992 3884 1 7 . 1 1 84 84 SER H H 84 8.191 8.191 7.989 0.202 17992 3885 1 7 . 1 1 85 85 LYS N N 85 121.318 121.318 121.334 -0.016 17992 3886 1 7 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.178 -0.093 17992 3887 1 7 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.478 1.310 17992 3888 1 7 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.969 -0.539 17992 3889 1 7 . 1 1 85 85 LYS H H 85 8.113 8.113 8.197 -0.084 17992 3890 1 7 . 1 1 86 86 SER N N 86 115.042 115.042 114.882 0.160 17992 3891 1 7 . 1 1 86 86 SER HA H 86 4.389 4.389 4.263 0.126 17992 3892 1 7 . 1 1 86 86 SER CA C 86 61.437 61.437 61.229 0.208 17992 3893 1 7 . 1 1 86 86 SER CB C 86 63.116 63.116 62.805 0.311 17992 3894 1 7 . 1 1 86 86 SER H H 86 8.066 8.066 7.718 0.348 17992 3895 1 7 . 1 1 87 87 VAL N N 87 122.920 122.920 119.861 3.059 17992 3896 1 7 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.963 0.417 17992 3897 1 7 . 1 1 87 87 VAL CA C 87 66.123 66.123 64.295 1.828 17992 3898 1 7 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.455 -0.076 17992 3899 1 7 . 1 1 87 87 VAL H H 87 8.103 8.103 7.890 0.213 17992 3900 1 7 . 1 1 88 88 LEU N N 88 119.501 119.501 120.117 -0.616 17992 3901 1 7 . 1 1 88 88 LEU HA H 88 4.122 4.122 3.974 0.148 17992 3902 1 7 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.272 0.634 17992 3903 1 7 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.265 0.679 17992 3904 1 7 . 1 1 88 88 LEU H H 88 8.146 8.146 7.598 0.548 17992 3905 1 7 . 1 1 89 89 LYS N N 89 120.285 120.285 117.492 2.793 17992 3906 1 7 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.092 0.003 17992 3907 1 7 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.435 1.452 17992 3908 1 7 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.377 -0.151 17992 3909 1 7 . 1 1 89 89 LYS H H 89 8.245 8.245 7.646 0.599 17992 3910 1 7 . 1 1 90 90 SER N N 90 115.131 115.131 114.442 0.689 17992 3911 1 7 . 1 1 90 90 SER HA H 90 4.362 4.362 4.329 0.033 17992 3912 1 7 . 1 1 90 90 SER CA C 90 61.815 61.815 60.636 1.179 17992 3913 1 7 . 1 1 90 90 SER H H 90 8.037 8.037 7.767 0.270 17992 3914 1 7 . 1 1 91 91 LEU N N 91 120.855 120.855 122.343 -1.488 17992 3915 1 7 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.203 -0.055 17992 3916 1 7 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.324 1.089 17992 3917 1 7 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.573 0.602 17992 3918 1 7 . 1 1 91 91 LEU H H 91 8.445 8.445 7.263 1.182 17992 3919 1 7 . 1 1 92 92 THR N N 92 112.933 112.933 115.470 -2.537 17992 3920 1 7 . 1 1 92 92 THR HA H 92 3.904 3.904 3.919 -0.015 17992 3921 1 7 . 1 1 92 92 THR CA C 92 67.390 67.390 66.235 1.155 17992 3922 1 7 . 1 1 92 92 THR CB C 92 69.367 69.367 68.098 1.269 17992 3923 1 7 . 1 1 92 92 THR H H 92 8.383 8.383 7.552 0.831 17992 3924 1 7 . 1 1 93 93 GLU N N 93 120.387 120.387 120.125 0.262 17992 3925 1 7 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.434 0.053 17992 3926 1 7 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.487 -0.342 17992 3927 1 7 . 1 1 93 93 GLU H H 93 7.971 7.971 8.262 -0.291 17992 3928 1 7 . 1 1 94 94 LYS N N 94 118.470 118.470 117.187 1.283 17992 3929 1 7 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.158 0.008 17992 3930 1 7 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.909 1.137 17992 3931 1 7 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.635 -0.288 17992 3932 1 7 . 1 1 94 94 LYS H H 94 7.804 7.804 7.876 -0.072 17992 3933 1 7 . 1 1 95 95 LEU N N 95 118.397 118.397 119.127 -0.730 17992 3934 1 7 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.292 -0.133 17992 3935 1 7 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.203 1.674 17992 3936 1 7 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.186 -0.237 17992 3937 1 7 . 1 1 95 95 LEU H H 95 8.256 8.256 7.647 0.609 17992 3938 1 7 . 1 1 96 96 LYS N N 96 117.747 117.747 119.719 -1.972 17992 3939 1 7 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.019 -0.079 17992 3940 1 7 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.480 0.802 17992 3941 1 7 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.816 0.533 17992 3942 1 7 . 1 1 96 96 LYS H H 96 8.105 8.105 8.305 -0.200 17992 3943 1 7 . 1 1 97 97 LYS N N 97 116.451 116.451 119.491 -3.040 17992 3944 1 7 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.192 -0.025 17992 3945 1 7 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.538 1.005 17992 3946 1 7 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.990 0.161 17992 3947 1 7 . 1 1 97 97 LYS H H 97 7.520 7.520 7.830 -0.310 17992 3948 1 7 . 1 1 98 98 ILE N N 98 117.587 117.587 122.212 -4.625 17992 3949 1 7 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.819 0.111 17992 3950 1 7 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.921 0.378 17992 3951 1 7 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.038 -0.289 17992 3952 1 7 . 1 1 98 98 ILE H H 98 7.782 7.782 7.575 0.207 17992 3953 1 7 . 1 1 99 99 VAL N N 99 116.989 116.989 118.830 -1.841 17992 3954 1 7 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.635 0.190 17992 3955 1 7 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.505 0.458 17992 3956 1 7 . 1 1 99 99 VAL CB C 99 31.482 31.482 32.001 -0.519 17992 3957 1 7 . 1 1 99 99 VAL H H 99 7.917 7.917 7.464 0.453 17992 3958 1 7 . 1 1 100 100 GLU N N 100 116.782 116.782 118.612 -1.830 17992 3959 1 7 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.195 0.018 17992 3960 1 7 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.954 0.020 17992 3961 1 7 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.233 -1.310 17992 3962 1 7 . 1 1 100 100 GLU H H 100 7.702 7.702 8.025 -0.323 17992 3963 1 7 . 1 1 101 101 LEU N N 101 118.218 118.218 120.512 -2.294 17992 3964 1 7 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.293 -0.138 17992 3965 1 7 . 1 1 101 101 LEU CA C 101 55.736 55.736 57.054 -1.318 17992 3966 1 7 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.667 -0.628 17992 3967 1 7 . 1 1 101 101 LEU H H 101 7.751 7.751 7.729 0.022 17992 3968 1 7 . 1 1 102 102 ILE N N 102 119.412 119.412 116.807 2.605 17992 3969 1 7 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.423 -0.696 17992 3970 1 7 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.819 2.990 17992 3971 1 7 . 1 1 102 102 ILE H H 102 7.559 7.559 7.772 -0.213 17992 3972 1 7 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.685 -0.098 17992 3973 1 7 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.697 1.592 17992 3974 1 7 . 1 1 103 103 PRO CB C 103 31.886 31.886 32.611 -0.725 17992 3975 1 7 . 1 1 104 104 SER N N 104 112.794 112.794 115.223 -2.429 17992 3976 1 7 . 1 1 104 104 SER HA H 104 4.571 4.571 4.656 -0.085 17992 3977 1 7 . 1 1 104 104 SER CA C 104 59.286 59.286 57.079 2.207 17992 3978 1 7 . 1 1 104 104 SER CB C 104 63.849 63.849 64.543 -0.694 17992 3979 1 7 . 1 1 104 104 SER H H 104 8.100 8.100 8.208 -0.108 17992 3980 1 7 . 1 1 105 105 THR N N 105 114.655 114.655 111.617 3.038 17992 3981 1 7 . 1 1 105 105 THR HA H 105 4.318 4.318 4.285 0.033 17992 3982 1 7 . 1 1 105 105 THR CA C 105 64.056 64.056 62.682 1.373 17992 3983 1 7 . 1 1 105 105 THR CB C 105 69.861 69.861 69.320 0.540 17992 3984 1 7 . 1 1 105 105 THR H H 105 8.186 8.186 8.390 -0.204 17992 3985 1 7 . 1 1 106 106 SER N N 106 116.165 116.165 115.833 0.332 17992 3986 1 7 . 1 1 106 106 SER HA H 106 4.344 4.344 4.584 -0.240 17992 3987 1 7 . 1 1 106 106 SER CA C 106 60.864 60.864 58.917 1.947 17992 3988 1 7 . 1 1 106 106 SER CB C 106 63.462 63.462 63.064 0.398 17992 3989 1 7 . 1 1 106 106 SER H H 106 8.200 8.200 8.700 -0.500 17992 3990 1 7 . 1 1 107 107 SER N N 107 116.732 116.732 117.360 -0.628 17992 3991 1 7 . 1 1 107 107 SER HA H 107 4.413 4.413 4.403 0.010 17992 3992 1 7 . 1 1 107 107 SER CA C 107 60.051 60.051 60.686 -0.635 17992 3993 1 7 . 1 1 107 107 SER CB C 107 63.921 63.921 63.423 0.498 17992 3994 1 7 . 1 1 107 107 SER H H 107 8.114 8.114 7.586 0.528 17992 3995 1 7 . 1 1 108 108 ALA N N 108 122.523 122.523 122.472 0.051 17992 3996 1 7 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.436 -0.002 17992 3997 1 7 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.719 -0.237 17992 3998 1 7 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.772 0.559 17992 3999 1 7 . 1 1 108 108 ALA H H 108 8.022 8.022 7.451 0.571 17992 4000 1 7 . 1 1 109 109 VAL N N 109 117.146 117.146 120.790 -3.644 17992 4001 1 7 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.773 0.015 17992 4002 1 7 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.328 -1.493 17992 4003 1 7 . 1 1 109 109 VAL H H 109 7.829 7.829 7.737 0.092 17992 4004 1 7 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.347 0.133 17992 4005 1 7 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.210 0.235 17992 4006 1 7 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.302 0.077 17992 4007 1 7 . 1 1 111 111 LEU N N 111 117.393 117.393 118.707 -1.314 17992 4008 1 7 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.273 -0.060 17992 4009 1 7 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.056 0.726 17992 4010 1 7 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.520 -0.072 17992 4011 1 7 . 1 1 111 111 LEU H H 111 7.538 7.538 7.089 0.449 17992 4012 1 7 . 1 1 112 112 ILE N N 112 117.001 117.001 120.204 -3.203 17992 4013 1 7 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.799 0.202 17992 4014 1 7 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.570 0.056 17992 4015 1 7 . 1 1 112 112 ILE H H 112 8.118 8.118 8.792 -0.674 17992 4016 1 7 . 1 1 113 113 GLY N N 113 106.840 106.840 106.420 0.420 17992 4017 1 7 . 1 1 113 113 GLY CA C 113 47.772 47.772 46.556 1.216 17992 4018 1 7 . 1 1 113 113 GLY H H 113 8.409 8.409 7.894 0.516 17992 4019 1 7 . 1 1 114 114 LYS N N 114 120.736 120.736 122.292 -1.556 17992 4020 1 7 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.176 -0.056 17992 4021 1 7 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.516 0.622 17992 4022 1 7 . 1 1 114 114 LYS H H 114 7.847 7.847 7.882 -0.035 17992 4023 1 7 . 1 1 115 115 TYR N N 115 117.055 117.055 119.130 -2.075 17992 4024 1 7 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.202 0.070 17992 4025 1 7 . 1 1 115 115 TYR CA C 115 60.430 60.430 61.880 -1.450 17992 4026 1 7 . 1 1 115 115 TYR H H 115 7.891 7.891 7.600 0.291 17992 4027 1 7 . 1 1 116 116 MET H H 116 8.170 8.170 7.709 0.461 17992 4028 1 7 . 1 1 117 117 LEU N N 117 117.768 117.768 119.537 -1.769 17992 4029 1 7 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.041 -0.132 17992 4030 1 7 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.401 1.193 17992 4031 1 7 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.780 -0.444 17992 4032 1 7 . 1 1 117 117 LEU H H 117 7.781 7.781 7.677 0.104 17992 4033 1 7 . 1 1 118 118 PHE N N 118 118.204 118.204 118.116 0.088 17992 4034 1 7 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.197 0.231 17992 4035 1 7 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.540 -0.805 17992 4036 1 7 . 1 1 118 118 PHE H H 118 8.024 8.024 7.618 0.406 17992 4037 1 7 . 1 1 119 119 THR N N 119 114.941 114.941 112.155 2.786 17992 4038 1 7 . 1 1 119 119 THR HA H 119 3.972 3.972 4.140 -0.168 17992 4039 1 7 . 1 1 119 119 THR CA C 119 67.518 67.518 66.008 1.510 17992 4040 1 7 . 1 1 119 119 THR CB C 119 69.194 69.194 69.106 0.088 17992 4041 1 7 . 1 1 119 119 THR H H 119 8.171 8.171 7.788 0.383 17992 4042 1 7 . 1 1 120 120 LYS N N 120 121.758 121.758 120.632 1.126 17992 4043 1 7 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.985 -0.005 17992 4044 1 7 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.403 1.407 17992 4045 1 7 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.061 0.454 17992 4046 1 7 . 1 1 120 120 LYS H H 120 8.359 8.359 7.511 0.848 17992 4047 1 7 . 1 1 121 121 GLU N N 121 117.504 117.504 118.201 -0.697 17992 4048 1 7 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.160 0.054 17992 4049 1 7 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.614 0.626 17992 4050 1 7 . 1 1 121 121 GLU CB C 121 28.383 28.383 30.056 -1.673 17992 4051 1 7 . 1 1 121 121 GLU H H 121 8.222 8.222 7.896 0.326 17992 4052 1 7 . 1 1 122 122 PHE N N 122 121.586 121.586 120.842 0.744 17992 4053 1 7 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.244 0.050 17992 4054 1 7 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.806 0.768 17992 4055 1 7 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.198 0.161 17992 4056 1 7 . 1 1 122 122 PHE H H 122 8.562 8.562 7.462 1.100 17992 4057 1 7 . 1 1 123 123 VAL N N 123 121.558 121.558 119.391 2.167 17992 4058 1 7 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.713 -0.197 17992 4059 1 7 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.299 1.309 17992 4060 1 7 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.601 0.860 17992 4061 1 7 . 1 1 123 123 VAL H H 123 8.784 8.784 7.867 0.917 17992 4062 1 7 . 1 1 124 124 GLU N N 124 118.314 118.314 120.493 -2.179 17992 4063 1 7 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.016 0.026 17992 4064 1 7 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.026 1.181 17992 4065 1 7 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.037 -0.612 17992 4066 1 7 . 1 1 124 124 GLU H H 124 8.564 8.564 7.714 0.850 17992 4067 1 7 . 1 1 125 125 SER N N 125 114.779 114.779 116.047 -1.268 17992 4068 1 7 . 1 1 125 125 SER HA H 125 4.265 4.265 4.008 0.257 17992 4069 1 7 . 1 1 125 125 SER CA C 125 62.342 62.342 60.885 1.457 17992 4070 1 7 . 1 1 125 125 SER CB C 125 63.162 63.162 62.688 0.474 17992 4071 1 7 . 1 1 125 125 SER H H 125 8.348 8.348 8.110 0.238 17992 4072 1 7 . 1 1 126 126 SER N N 126 118.464 118.464 117.959 0.505 17992 4073 1 7 . 1 1 126 126 SER HA H 126 4.069 4.069 4.266 -0.197 17992 4074 1 7 . 1 1 126 126 SER CA C 126 62.846 62.846 62.475 0.371 17992 4075 1 7 . 1 1 126 126 SER H H 126 8.144 8.144 7.815 0.329 17992 4076 1 7 . 1 1 127 127 ILE N N 127 124.705 124.705 118.420 6.285 17992 4077 1 7 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.041 -0.360 17992 4078 1 7 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.640 2.001 17992 4079 1 7 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.436 0.598 17992 4080 1 7 . 1 1 127 127 ILE H H 127 8.280 8.280 7.831 0.449 17992 4081 1 7 . 1 1 128 128 LYS N N 128 119.907 119.907 120.078 -0.171 17992 4082 1 7 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.053 0.832 17992 4083 1 7 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.580 -0.332 17992 4084 1 7 . 1 1 128 128 LYS H H 128 7.741 7.741 7.735 0.006 17992 4085 1 7 . 1 1 129 129 ILE N N 129 118.807 118.807 117.981 0.826 17992 4086 1 7 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.973 0.134 17992 4087 1 7 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.040 0.352 17992 4088 1 7 . 1 1 129 129 ILE CB C 129 38.050 38.050 39.009 -0.959 17992 4089 1 7 . 1 1 129 129 ILE H H 129 8.215 8.215 7.691 0.524 17992 4090 1 7 . 1 1 130 130 THR N N 130 117.328 117.328 113.501 3.827 17992 4091 1 7 . 1 1 130 130 THR HA H 130 3.921 3.921 3.848 0.073 17992 4092 1 7 . 1 1 130 130 THR CA C 130 68.210 68.210 65.826 2.384 17992 4093 1 7 . 1 1 130 130 THR H H 130 7.988 7.988 8.527 -0.539 17992 4094 1 7 . 1 1 131 131 GLU N N 131 118.968 118.968 121.388 -2.420 17992 4095 1 7 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.043 -0.065 17992 4096 1 7 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.049 0.551 17992 4097 1 7 . 1 1 131 131 GLU H H 131 8.439 8.439 7.858 0.581 17992 4098 1 7 . 1 1 132 132 GLU N N 132 118.712 118.712 119.193 -0.481 17992 4099 1 7 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.250 -0.024 17992 4100 1 7 . 1 1 132 132 GLU CA C 132 59.267 59.267 57.911 1.356 17992 4101 1 7 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.081 -1.462 17992 4102 1 7 . 1 1 132 132 GLU H H 132 7.987 7.987 7.542 0.445 17992 4103 1 7 . 1 1 133 133 VAL N N 133 120.060 120.060 120.572 -0.512 17992 4104 1 7 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.798 0.069 17992 4105 1 7 . 1 1 133 133 VAL CA C 133 66.330 66.330 65.000 1.330 17992 4106 1 7 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.778 0.378 17992 4107 1 7 . 1 1 133 133 VAL H H 133 8.341 8.341 7.740 0.601 17992 4108 1 7 . 1 1 134 134 ILE N N 134 119.699 119.699 116.258 3.441 17992 4109 1 7 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.883 -0.023 17992 4110 1 7 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.159 2.025 17992 4111 1 7 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.245 0.657 17992 4112 1 7 . 1 1 134 134 ILE H H 134 8.331 8.331 7.383 0.948 17992 4113 1 7 . 1 1 135 135 ASN N N 135 117.396 117.396 118.036 -0.640 17992 4114 1 7 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.467 0.208 17992 4115 1 7 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.055 -0.550 17992 4116 1 7 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.303 0.824 17992 4117 1 7 . 1 1 135 135 ASN H H 135 8.318 8.318 7.856 0.462 17992 4118 1 7 . 1 1 136 136 THR N N 136 111.419 111.419 111.640 -0.221 17992 4119 1 7 . 1 1 136 136 THR HA H 136 4.308 4.308 4.454 -0.146 17992 4120 1 7 . 1 1 136 136 THR CA C 136 63.872 63.872 64.172 -0.300 17992 4121 1 7 . 1 1 136 136 THR CB C 136 69.779 69.779 69.266 0.513 17992 4122 1 7 . 1 1 136 136 THR H H 136 8.006 8.006 7.678 0.328 17992 4123 1 7 . 1 1 137 137 HIS N N 137 118.612 118.612 120.672 -2.060 17992 4124 1 7 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.636 0.067 17992 4125 1 7 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.419 -1.959 17992 4126 1 7 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.544 -0.832 17992 4127 1 7 . 1 1 137 137 HIS H H 137 8.013 8.013 7.889 0.124 17992 4128 1 7 . 1 1 138 138 HIS N N 138 118.709 118.709 116.184 2.525 17992 4129 1 7 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.596 0.230 17992 4130 1 7 . 1 1 138 138 HIS CA C 138 55.514 55.514 56.456 -0.942 17992 4131 1 7 . 1 1 138 138 HIS CB C 138 29.246 29.246 31.428 -2.182 17992 4132 1 7 . 1 1 138 138 HIS H H 138 8.169 8.169 8.091 0.078 17992 4133 1 7 . 1 1 139 139 ARG N N 139 123.025 123.025 120.252 2.773 17992 4134 1 7 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.406 0.160 17992 4135 1 7 . 1 1 139 139 ARG CA C 139 56.394 56.394 56.008 0.386 17992 4136 1 7 . 1 1 139 139 ARG CB C 139 31.021 31.021 31.710 -0.689 17992 4137 1 7 . 1 1 139 139 ARG H H 139 8.419 8.419 8.004 0.415 17992 4138 1 8 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.684 0.054 17992 4139 1 8 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.304 0.472 17992 4140 1 8 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.390 -1.046 17992 4141 1 8 . 1 1 8 8 HIS H H 8 8.686 8.686 8.219 0.468 17992 4142 1 8 . 1 1 9 9 ALA N N 9 124.079 124.079 126.218 -2.139 17992 4143 1 8 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.420 -0.033 17992 4144 1 8 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.801 0.486 17992 4145 1 8 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.383 -1.208 17992 4146 1 8 . 1 1 9 9 ALA H H 9 8.457 8.457 8.571 -0.114 17992 4147 1 8 . 1 1 10 10 MET N N 10 120.430 120.430 118.177 2.253 17992 4148 1 8 . 1 1 10 10 MET HA H 10 4.390 4.390 4.235 0.155 17992 4149 1 8 . 1 1 10 10 MET CA C 10 57.753 57.753 57.660 0.093 17992 4150 1 8 . 1 1 10 10 MET CB C 10 32.355 32.355 32.616 -0.261 17992 4151 1 8 . 1 1 10 10 MET H H 10 8.545 8.545 8.339 0.206 17992 4152 1 8 . 1 1 11 11 VAL N N 11 119.159 119.159 112.950 6.209 17992 4153 1 8 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.105 -0.089 17992 4154 1 8 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.925 1.346 17992 4155 1 8 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.983 -0.372 17992 4156 1 8 . 1 1 11 11 VAL H H 11 8.339 8.339 7.991 0.348 17992 4157 1 8 . 1 1 12 12 ILE N N 12 119.461 119.461 120.297 -0.836 17992 4158 1 8 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.940 0.013 17992 4159 1 8 . 1 1 12 12 ILE CA C 12 64.334 64.334 62.729 1.605 17992 4160 1 8 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.144 -0.648 17992 4161 1 8 . 1 1 12 12 ILE H H 12 7.705 7.705 7.705 -0.000 17992 4162 1 8 . 1 1 13 13 ASP N N 13 119.460 119.460 119.890 -0.430 17992 4163 1 8 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.539 -0.155 17992 4164 1 8 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.990 1.534 17992 4165 1 8 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.762 -1.350 17992 4166 1 8 . 1 1 13 13 ASP H H 13 8.172 8.172 7.711 0.461 17992 4167 1 8 . 1 1 14 14 HIS N N 14 116.421 116.421 117.930 -1.509 17992 4168 1 8 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.428 0.112 17992 4169 1 8 . 1 1 14 14 HIS CA C 14 58.748 58.748 57.807 0.941 17992 4170 1 8 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.073 -1.421 17992 4171 1 8 . 1 1 14 14 HIS H H 14 8.138 8.138 7.985 0.153 17992 4172 1 8 . 1 1 15 15 ILE N N 15 119.970 119.970 118.004 1.966 17992 4173 1 8 . 1 1 15 15 ILE HA H 15 3.808 3.808 4.045 -0.237 17992 4174 1 8 . 1 1 15 15 ILE CA C 15 65.404 65.404 61.428 3.977 17992 4175 1 8 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.124 0.663 17992 4176 1 8 . 1 1 15 15 ILE H H 15 8.224 8.224 7.617 0.607 17992 4177 1 8 . 1 1 16 16 LEU N N 16 118.635 118.635 122.233 -3.598 17992 4178 1 8 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.848 1.144 17992 4179 1 8 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.995 -0.209 17992 4180 1 8 . 1 1 16 16 LEU H H 16 8.480 8.480 7.574 0.906 17992 4181 1 8 . 1 1 17 17 LYS N N 17 118.257 118.257 117.374 0.883 17992 4182 1 8 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.007 0.087 17992 4183 1 8 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.092 0.790 17992 4184 1 8 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.823 0.393 17992 4185 1 8 . 1 1 17 17 LYS H H 17 8.098 8.098 8.059 0.039 17992 4186 1 8 . 1 1 18 18 CYS N N 18 117.220 117.220 118.583 -1.363 17992 4187 1 8 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.196 0.133 17992 4188 1 8 . 1 1 18 18 CYS CA C 18 63.218 63.218 63.321 -0.103 17992 4189 1 8 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.941 -1.119 17992 4190 1 8 . 1 1 18 18 CYS H H 18 7.899 7.899 8.041 -0.142 17992 4191 1 8 . 1 1 19 19 VAL N N 19 118.929 118.929 119.938 -1.009 17992 4192 1 8 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.976 -0.251 17992 4193 1 8 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.062 2.018 17992 4194 1 8 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.009 0.048 17992 4195 1 8 . 1 1 19 19 VAL H H 19 8.352 8.352 7.515 0.837 17992 4196 1 8 . 1 1 20 20 PHE N N 20 120.244 120.244 120.250 -0.006 17992 4197 1 8 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.293 -0.019 17992 4198 1 8 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.823 0.803 17992 4199 1 8 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.206 -0.126 17992 4200 1 8 . 1 1 20 20 PHE H H 20 8.791 8.791 8.756 0.035 17992 4201 1 8 . 1 1 21 21 ASP N N 21 118.761 118.761 120.387 -1.626 17992 4202 1 8 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.410 -0.047 17992 4203 1 8 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.339 0.178 17992 4204 1 8 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.819 -0.751 17992 4205 1 8 . 1 1 21 21 ASP H H 21 8.705 8.705 7.927 0.778 17992 4206 1 8 . 1 1 22 22 LYS N N 22 118.200 118.200 119.381 -1.181 17992 4207 1 8 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.103 0.091 17992 4208 1 8 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.866 -0.273 17992 4209 1 8 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.449 -0.150 17992 4210 1 8 . 1 1 22 22 LYS H H 22 7.810 7.810 7.638 0.172 17992 4211 1 8 . 1 1 23 23 ILE N N 23 118.534 118.534 119.626 -1.092 17992 4212 1 8 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.581 0.200 17992 4213 1 8 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.998 0.098 17992 4214 1 8 . 1 1 23 23 ILE H H 23 8.351 8.351 7.628 0.723 17992 4215 1 8 . 1 1 24 24 CYS N N 24 117.155 117.155 115.279 1.876 17992 4216 1 8 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.245 -0.196 17992 4217 1 8 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.828 1.671 17992 4218 1 8 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.153 -0.527 17992 4219 1 8 . 1 1 24 24 CYS H H 24 8.203 8.203 7.740 0.463 17992 4220 1 8 . 1 1 25 25 LYS N N 25 119.995 119.995 122.497 -2.502 17992 4221 1 8 . 1 1 25 25 LYS CA C 25 58.762 58.762 58.994 -0.232 17992 4222 1 8 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.657 -0.272 17992 4223 1 8 . 1 1 25 25 LYS H H 25 7.760 7.760 7.573 0.187 17992 4224 1 8 . 1 1 26 26 ILE N N 26 119.168 119.168 119.339 -0.171 17992 4225 1 8 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.667 0.307 17992 4226 1 8 . 1 1 26 26 ILE CA C 26 64.106 64.106 64.218 -0.112 17992 4227 1 8 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.904 -0.348 17992 4228 1 8 . 1 1 26 26 ILE H H 26 8.055 8.055 8.446 -0.391 17992 4229 1 8 . 1 1 27 27 GLY N N 27 108.257 108.257 106.011 2.246 17992 4230 1 8 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.298 -0.309 17992 4231 1 8 . 1 1 27 27 GLY H H 27 8.568 8.568 7.875 0.693 17992 4232 1 8 . 1 1 28 28 THR N N 28 112.727 112.727 111.855 0.872 17992 4233 1 8 . 1 1 28 28 THR HA H 28 3.912 3.912 4.310 -0.398 17992 4234 1 8 . 1 1 28 28 THR CA C 28 64.717 64.717 63.953 0.764 17992 4235 1 8 . 1 1 28 28 THR CB C 28 69.375 69.375 69.315 0.060 17992 4236 1 8 . 1 1 28 28 THR H H 28 8.059 8.059 7.612 0.447 17992 4237 1 8 . 1 1 29 29 GLU N N 29 120.068 120.068 122.379 -2.311 17992 4238 1 8 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.297 -1.693 17992 4239 1 8 . 1 1 29 29 GLU CB C 29 29.093 29.093 28.927 0.166 17992 4240 1 8 . 1 1 29 29 GLU H H 29 8.113 8.113 7.791 0.322 17992 4241 1 8 . 1 1 30 30 SER N N 30 114.882 114.882 114.459 0.423 17992 4242 1 8 . 1 1 30 30 SER HA H 30 4.374 4.374 4.259 0.115 17992 4243 1 8 . 1 1 30 30 SER CA C 30 60.353 60.353 60.508 -0.155 17992 4244 1 8 . 1 1 30 30 SER H H 30 8.060 8.060 7.612 0.448 17992 4245 1 8 . 1 1 31 31 VAL N N 31 122.098 122.098 119.165 2.933 17992 4246 1 8 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.911 0.106 17992 4247 1 8 . 1 1 31 31 VAL CA C 31 64.627 64.627 64.478 0.149 17992 4248 1 8 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.186 0.799 17992 4249 1 8 . 1 1 31 31 VAL H H 31 8.127 8.127 7.272 0.855 17992 4250 1 8 . 1 1 32 32 GLU N N 32 120.280 120.280 120.483 -0.203 17992 4251 1 8 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.103 0.215 17992 4252 1 8 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.323 -1.436 17992 4253 1 8 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.348 -0.695 17992 4254 1 8 . 1 1 32 32 GLU H H 32 8.243 8.243 7.458 0.785 17992 4255 1 8 . 1 1 33 33 ALA N N 33 121.715 121.715 121.129 0.586 17992 4256 1 8 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.860 0.329 17992 4257 1 8 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.247 0.477 17992 4258 1 8 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.335 1.393 17992 4259 1 8 . 1 1 33 33 ALA H H 33 8.218 8.218 7.485 0.733 17992 4260 1 8 . 1 1 34 34 GLY N N 34 104.656 104.656 105.563 -0.907 17992 4261 1 8 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.385 0.689 17992 4262 1 8 . 1 1 34 34 GLY H H 34 8.308 8.308 7.778 0.530 17992 4263 1 8 . 1 1 35 35 ARG N N 35 119.958 119.958 120.902 -0.944 17992 4264 1 8 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.261 0.015 17992 4265 1 8 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.633 1.392 17992 4266 1 8 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.761 0.528 17992 4267 1 8 . 1 1 35 35 ARG H H 35 7.975 7.975 7.397 0.578 17992 4268 1 8 . 1 1 36 36 LEU N N 36 118.931 118.931 121.069 -2.138 17992 4269 1 8 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.130 0.094 17992 4270 1 8 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.850 -0.047 17992 4271 1 8 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.500 0.693 17992 4272 1 8 . 1 1 36 36 LEU H H 36 7.958 7.958 8.630 -0.672 17992 4273 1 8 . 1 1 37 37 ILE N N 37 118.087 118.087 119.067 -0.980 17992 4274 1 8 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.750 0.181 17992 4275 1 8 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.762 0.097 17992 4276 1 8 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.764 0.275 17992 4277 1 8 . 1 1 37 37 ILE H H 37 7.904 7.904 7.580 0.324 17992 4278 1 8 . 1 1 38 38 GLU N N 38 120.989 120.989 119.838 1.151 17992 4279 1 8 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.931 0.300 17992 4280 1 8 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.697 -1.252 17992 4281 1 8 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.509 -0.498 17992 4282 1 8 . 1 1 38 38 GLU H H 38 8.041 8.041 7.490 0.551 17992 4283 1 8 . 1 1 39 39 LEU N N 39 120.111 120.111 119.363 0.748 17992 4284 1 8 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.105 0.166 17992 4285 1 8 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.469 -0.058 17992 4286 1 8 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.068 1.227 17992 4287 1 8 . 1 1 39 39 LEU H H 39 8.173 8.173 7.797 0.376 17992 4288 1 8 . 1 1 40 40 SER N N 40 113.806 113.806 112.536 1.270 17992 4289 1 8 . 1 1 40 40 SER HA H 40 4.312 4.312 4.167 0.145 17992 4290 1 8 . 1 1 40 40 SER CA C 40 60.406 60.406 60.589 -0.183 17992 4291 1 8 . 1 1 40 40 SER CB C 40 63.646 63.646 63.153 0.493 17992 4292 1 8 . 1 1 40 40 SER H H 40 8.031 8.031 7.627 0.404 17992 4293 1 8 . 1 1 41 41 GLN N N 41 120.139 120.139 117.867 2.272 17992 4294 1 8 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.232 0.164 17992 4295 1 8 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.310 -0.709 17992 4296 1 8 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.986 -0.601 17992 4297 1 8 . 1 1 41 41 GLN H H 41 7.956 7.956 7.767 0.189 17992 4298 1 8 . 1 1 42 42 GLU N N 42 119.728 119.728 116.438 3.290 17992 4299 1 8 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.318 0.055 17992 4300 1 8 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.737 0.352 17992 4301 1 8 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.071 -1.716 17992 4302 1 8 . 1 1 42 42 GLU H H 42 8.114 8.114 8.506 -0.392 17992 4303 1 8 . 1 1 43 43 GLY N N 43 108.655 108.655 107.882 0.773 17992 4304 1 8 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.246 0.377 17992 4305 1 8 . 1 1 43 43 GLY H H 43 8.325 8.325 8.118 0.207 17992 4306 1 8 . 1 1 44 44 GLY N N 44 107.872 107.872 108.344 -0.472 17992 4307 1 8 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.715 0.771 17992 4308 1 8 . 1 1 44 44 GLY H H 44 8.105 8.105 7.685 0.420 17992 4309 1 8 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.920 1.475 17992 4310 1 8 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.493 -0.024 17992 4311 1 8 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.608 0.822 17992 4312 1 8 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.917 0.404 17992 4313 1 8 . 1 1 50 50 LEU N N 50 116.864 116.864 117.421 -0.557 17992 4314 1 8 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.400 -0.198 17992 4315 1 8 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.712 1.837 17992 4316 1 8 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.257 1.442 17992 4317 1 8 . 1 1 50 50 LEU H H 50 8.336 8.336 8.108 0.228 17992 4318 1 8 . 1 1 51 51 TYR N N 51 118.433 118.433 122.013 -3.580 17992 4319 1 8 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.231 -0.066 17992 4320 1 8 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.299 -0.265 17992 4321 1 8 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.983 -0.499 17992 4322 1 8 . 1 1 51 51 TYR H H 51 7.765 7.765 7.730 0.035 17992 4323 1 8 . 1 1 52 52 PHE N N 52 117.945 117.945 119.873 -1.928 17992 4324 1 8 . 1 1 52 52 PHE HA H 52 4.260 4.260 4.013 0.247 17992 4325 1 8 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.511 -0.261 17992 4326 1 8 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.004 0.315 17992 4327 1 8 . 1 1 52 52 PHE H H 52 7.873 7.873 7.949 -0.076 17992 4328 1 8 . 1 1 53 53 VAL N N 53 117.468 117.468 117.586 -0.118 17992 4329 1 8 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.212 0.440 17992 4330 1 8 . 1 1 53 53 VAL CA C 53 66.298 66.298 64.867 1.431 17992 4331 1 8 . 1 1 53 53 VAL CB C 53 31.810 31.810 32.021 -0.211 17992 4332 1 8 . 1 1 53 53 VAL H H 53 7.864 7.864 7.486 0.378 17992 4333 1 8 . 1 1 54 54 VAL N N 54 116.929 116.929 120.385 -3.456 17992 4334 1 8 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.703 -0.001 17992 4335 1 8 . 1 1 54 54 VAL CA C 54 66.067 66.067 65.599 0.468 17992 4336 1 8 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.279 0.522 17992 4337 1 8 . 1 1 54 54 VAL H H 54 7.958 7.958 7.404 0.554 17992 4338 1 8 . 1 1 55 55 ASN N N 55 115.543 115.543 117.753 -2.210 17992 4339 1 8 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.404 0.226 17992 4340 1 8 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.349 0.111 17992 4341 1 8 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.332 1.597 17992 4342 1 8 . 1 1 55 55 ASN H H 55 7.823 7.823 8.012 -0.189 17992 4343 1 8 . 1 1 56 56 VAL N N 56 116.125 116.125 117.359 -1.234 17992 4344 1 8 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.858 0.239 17992 4345 1 8 . 1 1 56 56 VAL CA C 56 64.139 64.139 63.550 0.589 17992 4346 1 8 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.562 -0.559 17992 4347 1 8 . 1 1 56 56 VAL H H 56 7.664 7.664 7.123 0.541 17992 4348 1 8 . 1 1 57 57 ILE N N 57 116.872 116.872 118.784 -1.912 17992 4349 1 8 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.925 0.084 17992 4350 1 8 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.661 0.889 17992 4351 1 8 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.151 0.612 17992 4352 1 8 . 1 1 57 57 ILE H H 57 7.587 7.587 7.572 0.015 17992 4353 1 8 . 1 1 58 58 GLU N N 58 118.190 118.190 120.754 -2.564 17992 4354 1 8 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.102 0.097 17992 4355 1 8 . 1 1 58 58 GLU CA C 58 60.305 60.305 62.051 -1.746 17992 4356 1 8 . 1 1 58 58 GLU H H 58 8.114 8.114 7.650 0.464 17992 4357 1 8 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.339 0.170 17992 4358 1 8 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.102 0.460 17992 4359 1 8 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.252 0.214 17992 4360 1 8 . 1 1 60 60 CYS N N 60 115.035 115.035 117.717 -2.682 17992 4361 1 8 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.120 0.148 17992 4362 1 8 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.714 -0.601 17992 4363 1 8 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.723 -0.733 17992 4364 1 8 . 1 1 60 60 CYS H H 60 7.913 7.913 7.649 0.264 17992 4365 1 8 . 1 1 61 61 LYS N N 61 121.184 121.184 119.895 1.289 17992 4366 1 8 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.057 0.215 17992 4367 1 8 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.729 -0.640 17992 4368 1 8 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.073 0.355 17992 4369 1 8 . 1 1 61 61 LYS H H 61 8.197 8.197 8.134 0.063 17992 4370 1 8 . 1 1 62 62 LYS N N 62 118.253 118.253 118.943 -0.690 17992 4371 1 8 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.836 -0.992 17992 4372 1 8 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.016 0.074 17992 4373 1 8 . 1 1 62 62 LYS H H 62 7.982 7.982 7.842 0.140 17992 4374 1 8 . 1 1 63 63 PHE N N 63 118.763 118.763 119.098 -0.335 17992 4375 1 8 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.587 -0.332 17992 4376 1 8 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.330 1.204 17992 4377 1 8 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.868 -0.718 17992 4378 1 8 . 1 1 63 63 PHE H H 63 8.155 8.155 7.947 0.208 17992 4379 1 8 . 1 1 64 64 SER N N 64 114.881 114.881 117.053 -2.172 17992 4380 1 8 . 1 1 64 64 SER HA H 64 4.268 4.268 3.751 0.517 17992 4381 1 8 . 1 1 64 64 SER CA C 64 61.588 61.588 61.742 -0.154 17992 4382 1 8 . 1 1 64 64 SER CB C 64 63.175 63.175 62.792 0.383 17992 4383 1 8 . 1 1 64 64 SER H H 64 8.218 8.218 8.054 0.164 17992 4384 1 8 . 1 1 65 65 GLU N N 65 120.937 120.937 121.457 -0.520 17992 4385 1 8 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.057 0.227 17992 4386 1 8 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.813 -0.602 17992 4387 1 8 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.103 -0.141 17992 4388 1 8 . 1 1 65 65 GLU H H 65 8.067 8.067 7.957 0.110 17992 4389 1 8 . 1 1 66 66 LEU N N 66 118.904 118.904 118.124 0.780 17992 4390 1 8 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.099 0.164 17992 4391 1 8 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.137 0.085 17992 4392 1 8 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.427 0.898 17992 4393 1 8 . 1 1 66 66 LEU H H 66 8.003 8.003 8.082 -0.079 17992 4394 1 8 . 1 1 67 67 THR N N 67 108.190 108.190 113.002 -4.812 17992 4395 1 8 . 1 1 67 67 THR HA H 67 4.043 4.043 4.110 -0.067 17992 4396 1 8 . 1 1 67 67 THR CA C 67 64.579 64.579 66.266 -1.687 17992 4397 1 8 . 1 1 67 67 THR CB C 67 69.410 69.410 68.341 1.069 17992 4398 1 8 . 1 1 67 67 THR H H 67 7.783 7.783 7.610 0.173 17992 4399 1 8 . 1 1 68 68 GLY N N 68 108.141 108.141 107.376 0.765 17992 4400 1 8 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.380 0.864 17992 4401 1 8 . 1 1 68 68 GLY H H 68 7.964 7.964 7.458 0.506 17992 4402 1 8 . 1 1 69 69 LEU N N 69 120.124 120.124 121.236 -1.112 17992 4403 1 8 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.664 -0.312 17992 4404 1 8 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.859 0.627 17992 4405 1 8 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.748 -0.374 17992 4406 1 8 . 1 1 69 69 LEU H H 69 7.749 7.749 7.501 0.248 17992 4407 1 8 . 1 1 70 70 VAL N N 70 115.546 115.546 118.150 -2.604 17992 4408 1 8 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.935 -0.000 17992 4409 1 8 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.670 -1.040 17992 4410 1 8 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.210 0.054 17992 4411 1 8 . 1 1 70 70 VAL H H 70 7.607 7.607 7.581 0.026 17992 4412 1 8 . 1 1 71 71 PHE N N 71 119.035 119.035 115.794 3.241 17992 4413 1 8 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.539 0.019 17992 4414 1 8 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.015 -0.468 17992 4415 1 8 . 1 1 71 71 PHE CB C 71 39.300 39.300 40.472 -1.172 17992 4416 1 8 . 1 1 71 71 PHE H H 71 7.618 7.618 7.786 -0.168 17992 4417 1 8 . 1 1 72 72 TYR N N 72 118.365 118.365 118.216 0.149 17992 4418 1 8 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.586 -0.007 17992 4419 1 8 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.204 -1.107 17992 4420 1 8 . 1 1 72 72 TYR CB C 72 39.244 39.244 41.098 -1.854 17992 4421 1 8 . 1 1 72 72 TYR H H 72 7.740 7.740 8.157 -0.417 17992 4422 1 8 . 1 1 73 73 LEU N N 73 121.184 121.184 120.587 0.597 17992 4423 1 8 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.643 -0.068 17992 4424 1 8 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.037 1.512 17992 4425 1 8 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.439 -1.358 17992 4426 1 8 . 1 1 73 73 LEU H H 73 7.713 7.713 7.606 0.107 17992 4427 1 8 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.649 -0.011 17992 4428 1 8 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.254 0.950 17992 4429 1 8 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.398 -0.717 17992 4430 1 8 . 1 1 75 75 THR N N 75 113.231 113.231 115.951 -2.720 17992 4431 1 8 . 1 1 75 75 THR HA H 75 4.339 4.339 4.057 0.282 17992 4432 1 8 . 1 1 75 75 THR CA C 75 62.684 62.684 64.472 -1.788 17992 4433 1 8 . 1 1 75 75 THR H H 75 8.217 8.217 8.485 -0.268 17992 4434 1 8 . 1 1 76 76 ASP N N 76 120.892 120.892 115.935 4.957 17992 4435 1 8 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.661 0.129 17992 4436 1 8 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.517 0.722 17992 4437 1 8 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.674 -1.359 17992 4438 1 8 . 1 1 76 76 ASP H H 76 8.406 8.406 7.431 0.975 17992 4439 1 8 . 1 1 77 77 SER N N 77 115.861 115.861 114.543 1.318 17992 4440 1 8 . 1 1 77 77 SER HA H 77 4.345 4.345 4.264 0.081 17992 4441 1 8 . 1 1 77 77 SER CA C 77 60.528 60.528 59.983 0.545 17992 4442 1 8 . 1 1 77 77 SER CB C 77 63.812 63.812 63.526 0.286 17992 4443 1 8 . 1 1 77 77 SER H H 77 8.238 8.238 8.540 -0.302 17992 4444 1 8 . 1 1 78 78 GLY N N 78 110.440 110.440 106.419 4.021 17992 4445 1 8 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.229 1.424 17992 4446 1 8 . 1 1 78 78 GLY H H 78 8.570 8.570 7.717 0.853 17992 4447 1 8 . 1 1 79 79 GLU N N 79 121.242 121.242 121.228 0.014 17992 4448 1 8 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.217 0.103 17992 4449 1 8 . 1 1 79 79 GLU CA C 79 58.018 58.018 58.849 -0.831 17992 4450 1 8 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.822 -0.740 17992 4451 1 8 . 1 1 79 79 GLU H H 79 8.237 8.237 8.450 -0.213 17992 4452 1 8 . 1 1 80 80 LYS N N 80 119.708 119.708 118.638 1.070 17992 4453 1 8 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.169 0.150 17992 4454 1 8 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.607 -0.726 17992 4455 1 8 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.096 0.650 17992 4456 1 8 . 1 1 80 80 LYS H H 80 8.252 8.252 8.364 -0.112 17992 4457 1 8 . 1 1 81 81 MET N N 81 119.849 119.849 117.181 2.668 17992 4458 1 8 . 1 1 81 81 MET HA H 81 4.367 4.367 4.344 0.023 17992 4459 1 8 . 1 1 81 81 MET CA C 81 57.845 57.845 59.487 -1.642 17992 4460 1 8 . 1 1 81 81 MET CB C 81 32.658 32.658 32.175 0.483 17992 4461 1 8 . 1 1 81 81 MET H H 81 8.419 8.419 8.006 0.413 17992 4462 1 8 . 1 1 82 82 THR N N 82 114.947 114.947 113.871 1.076 17992 4463 1 8 . 1 1 82 82 THR HA H 82 4.132 4.132 3.957 0.175 17992 4464 1 8 . 1 1 82 82 THR CA C 82 65.377 65.377 66.546 -1.169 17992 4465 1 8 . 1 1 82 82 THR CB C 82 69.035 69.035 68.472 0.564 17992 4466 1 8 . 1 1 82 82 THR H H 82 8.115 8.115 7.747 0.368 17992 4467 1 8 . 1 1 83 83 GLU N N 83 121.416 121.416 118.769 2.647 17992 4468 1 8 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.321 0.052 17992 4469 1 8 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.692 -0.628 17992 4470 1 8 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.517 -0.575 17992 4471 1 8 . 1 1 83 83 GLU H H 83 8.336 8.336 7.846 0.490 17992 4472 1 8 . 1 1 84 84 SER N N 84 115.783 115.783 114.113 1.670 17992 4473 1 8 . 1 1 84 84 SER HA H 84 4.278 4.278 4.612 -0.334 17992 4474 1 8 . 1 1 84 84 SER CA C 84 61.685 61.685 60.400 1.285 17992 4475 1 8 . 1 1 84 84 SER H H 84 8.191 8.191 8.042 0.149 17992 4476 1 8 . 1 1 85 85 LYS N N 85 121.318 121.318 122.715 -1.397 17992 4477 1 8 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.152 -0.067 17992 4478 1 8 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.019 0.769 17992 4479 1 8 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.518 -0.088 17992 4480 1 8 . 1 1 85 85 LYS H H 85 8.113 8.113 8.252 -0.139 17992 4481 1 8 . 1 1 86 86 SER N N 86 115.042 115.042 115.737 -0.695 17992 4482 1 8 . 1 1 86 86 SER HA H 86 4.389 4.389 4.253 0.136 17992 4483 1 8 . 1 1 86 86 SER CA C 86 61.437 61.437 60.972 0.465 17992 4484 1 8 . 1 1 86 86 SER CB C 86 63.116 63.116 62.833 0.283 17992 4485 1 8 . 1 1 86 86 SER H H 86 8.066 8.066 7.765 0.301 17992 4486 1 8 . 1 1 87 87 VAL N N 87 122.920 122.920 121.878 1.042 17992 4487 1 8 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.795 0.585 17992 4488 1 8 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.604 0.519 17992 4489 1 8 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.728 -0.349 17992 4490 1 8 . 1 1 87 87 VAL H H 87 8.103 8.103 7.622 0.481 17992 4491 1 8 . 1 1 88 88 LEU N N 88 119.501 119.501 119.570 -0.069 17992 4492 1 8 . 1 1 88 88 LEU HA H 88 4.122 4.122 3.747 0.375 17992 4493 1 8 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.741 0.165 17992 4494 1 8 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.184 0.759 17992 4495 1 8 . 1 1 88 88 LEU H H 88 8.146 8.146 7.504 0.642 17992 4496 1 8 . 1 1 89 89 LYS N N 89 120.285 120.285 118.718 1.567 17992 4497 1 8 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.137 -0.042 17992 4498 1 8 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.796 1.091 17992 4499 1 8 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.462 -0.236 17992 4500 1 8 . 1 1 89 89 LYS H H 89 8.245 8.245 7.387 0.858 17992 4501 1 8 . 1 1 90 90 SER N N 90 115.131 115.131 114.506 0.625 17992 4502 1 8 . 1 1 90 90 SER HA H 90 4.362 4.362 4.423 -0.061 17992 4503 1 8 . 1 1 90 90 SER CA C 90 61.815 61.815 60.054 1.761 17992 4504 1 8 . 1 1 90 90 SER H H 90 8.037 8.037 7.708 0.329 17992 4505 1 8 . 1 1 91 91 LEU N N 91 120.855 120.855 122.132 -1.277 17992 4506 1 8 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.190 -0.042 17992 4507 1 8 . 1 1 91 91 LEU CA C 91 58.413 58.413 58.052 0.361 17992 4508 1 8 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.956 0.219 17992 4509 1 8 . 1 1 91 91 LEU H H 91 8.445 8.445 7.926 0.519 17992 4510 1 8 . 1 1 92 92 THR N N 92 112.933 112.933 115.174 -2.241 17992 4511 1 8 . 1 1 92 92 THR HA H 92 3.904 3.904 3.860 0.044 17992 4512 1 8 . 1 1 92 92 THR CA C 92 67.390 67.390 66.577 0.813 17992 4513 1 8 . 1 1 92 92 THR CB C 92 69.367 69.367 68.243 1.124 17992 4514 1 8 . 1 1 92 92 THR H H 92 8.383 8.383 7.606 0.777 17992 4515 1 8 . 1 1 93 93 GLU N N 93 120.387 120.387 120.242 0.145 17992 4516 1 8 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.540 -0.053 17992 4517 1 8 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.410 -0.265 17992 4518 1 8 . 1 1 93 93 GLU H H 93 7.971 7.971 8.419 -0.448 17992 4519 1 8 . 1 1 94 94 LYS N N 94 118.470 118.470 117.647 0.823 17992 4520 1 8 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.107 0.059 17992 4521 1 8 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.472 0.574 17992 4522 1 8 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.569 -0.222 17992 4523 1 8 . 1 1 94 94 LYS H H 94 7.804 7.804 7.901 -0.097 17992 4524 1 8 . 1 1 95 95 LEU N N 95 118.397 118.397 118.950 -0.553 17992 4525 1 8 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.294 -0.135 17992 4526 1 8 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.159 1.718 17992 4527 1 8 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.119 -0.170 17992 4528 1 8 . 1 1 95 95 LEU H H 95 8.256 8.256 7.707 0.549 17992 4529 1 8 . 1 1 96 96 LYS N N 96 117.747 117.747 119.773 -2.026 17992 4530 1 8 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.008 -0.068 17992 4531 1 8 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.634 0.648 17992 4532 1 8 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.844 0.505 17992 4533 1 8 . 1 1 96 96 LYS H H 96 8.105 8.105 8.452 -0.347 17992 4534 1 8 . 1 1 97 97 LYS N N 97 116.451 116.451 119.582 -3.131 17992 4535 1 8 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.183 -0.016 17992 4536 1 8 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.615 0.928 17992 4537 1 8 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.009 0.142 17992 4538 1 8 . 1 1 97 97 LYS H H 97 7.520 7.520 7.553 -0.033 17992 4539 1 8 . 1 1 98 98 ILE N N 98 117.587 117.587 122.219 -4.632 17992 4540 1 8 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.798 0.132 17992 4541 1 8 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.778 0.521 17992 4542 1 8 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.002 -0.253 17992 4543 1 8 . 1 1 98 98 ILE H H 98 7.782 7.782 7.721 0.061 17992 4544 1 8 . 1 1 99 99 VAL N N 99 116.989 116.989 119.079 -2.090 17992 4545 1 8 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.728 0.097 17992 4546 1 8 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.624 0.339 17992 4547 1 8 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.142 0.340 17992 4548 1 8 . 1 1 99 99 VAL H H 99 7.917 7.917 7.521 0.396 17992 4549 1 8 . 1 1 100 100 GLU N N 100 116.782 116.782 118.710 -1.928 17992 4550 1 8 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.223 -0.010 17992 4551 1 8 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.728 0.246 17992 4552 1 8 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.504 -1.581 17992 4553 1 8 . 1 1 100 100 GLU H H 100 7.702 7.702 8.158 -0.456 17992 4554 1 8 . 1 1 101 101 LEU N N 101 118.218 118.218 119.880 -1.662 17992 4555 1 8 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.399 -0.244 17992 4556 1 8 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.387 -0.651 17992 4557 1 8 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.995 -0.956 17992 4558 1 8 . 1 1 101 101 LEU H H 101 7.751 7.751 7.812 -0.061 17992 4559 1 8 . 1 1 102 102 ILE N N 102 119.412 119.412 117.979 1.433 17992 4560 1 8 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.458 -0.731 17992 4561 1 8 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.465 3.344 17992 4562 1 8 . 1 1 102 102 ILE H H 102 7.559 7.559 7.779 -0.220 17992 4563 1 8 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.600 -0.013 17992 4564 1 8 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.855 1.434 17992 4565 1 8 . 1 1 103 103 PRO CB C 103 31.886 31.886 32.042 -0.156 17992 4566 1 8 . 1 1 104 104 SER N N 104 112.794 112.794 121.215 -8.421 17992 4567 1 8 . 1 1 104 104 SER HA H 104 4.571 4.571 4.385 0.186 17992 4568 1 8 . 1 1 104 104 SER CA C 104 59.286 59.286 60.333 -1.047 17992 4569 1 8 . 1 1 104 104 SER CB C 104 63.849 63.849 63.886 -0.037 17992 4570 1 8 . 1 1 104 104 SER H H 104 8.100 8.100 8.875 -0.775 17992 4571 1 8 . 1 1 105 105 THR N N 105 114.655 114.655 111.020 3.635 17992 4572 1 8 . 1 1 105 105 THR HA H 105 4.318 4.318 4.519 -0.201 17992 4573 1 8 . 1 1 105 105 THR CA C 105 64.056 64.056 61.230 2.826 17992 4574 1 8 . 1 1 105 105 THR CB C 105 69.861 69.861 71.235 -1.374 17992 4575 1 8 . 1 1 105 105 THR H H 105 8.186 8.186 7.998 0.188 17992 4576 1 8 . 1 1 106 106 SER N N 106 116.165 116.165 115.422 0.743 17992 4577 1 8 . 1 1 106 106 SER HA H 106 4.344 4.344 4.822 -0.478 17992 4578 1 8 . 1 1 106 106 SER CA C 106 60.864 60.864 58.763 2.101 17992 4579 1 8 . 1 1 106 106 SER CB C 106 63.462 63.462 63.482 -0.020 17992 4580 1 8 . 1 1 106 106 SER H H 106 8.200 8.200 8.360 -0.160 17992 4581 1 8 . 1 1 107 107 SER N N 107 116.732 116.732 118.005 -1.273 17992 4582 1 8 . 1 1 107 107 SER HA H 107 4.413 4.413 4.603 -0.190 17992 4583 1 8 . 1 1 107 107 SER CA C 107 60.051 60.051 59.342 0.709 17992 4584 1 8 . 1 1 107 107 SER CB C 107 63.921 63.921 63.852 0.069 17992 4585 1 8 . 1 1 107 107 SER H H 107 8.114 8.114 7.756 0.358 17992 4586 1 8 . 1 1 108 108 ALA N N 108 122.523 122.523 123.907 -1.384 17992 4587 1 8 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.397 0.037 17992 4588 1 8 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.068 -0.586 17992 4589 1 8 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.671 0.660 17992 4590 1 8 . 1 1 108 108 ALA H H 108 8.022 8.022 7.745 0.277 17992 4591 1 8 . 1 1 109 109 VAL N N 109 117.146 117.146 120.764 -3.618 17992 4592 1 8 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.688 0.100 17992 4593 1 8 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.065 -1.230 17992 4594 1 8 . 1 1 109 109 VAL H H 109 7.829 7.829 8.294 -0.465 17992 4595 1 8 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.319 0.161 17992 4596 1 8 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.277 0.168 17992 4597 1 8 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.149 0.230 17992 4598 1 8 . 1 1 111 111 LEU N N 111 117.393 117.393 118.972 -1.579 17992 4599 1 8 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.285 -0.072 17992 4600 1 8 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.852 0.930 17992 4601 1 8 . 1 1 111 111 LEU CB C 111 42.448 42.448 41.885 0.563 17992 4602 1 8 . 1 1 111 111 LEU H H 111 7.538 7.538 7.129 0.409 17992 4603 1 8 . 1 1 112 112 ILE N N 112 117.001 117.001 119.961 -2.960 17992 4604 1 8 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.993 0.008 17992 4605 1 8 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.760 0.866 17992 4606 1 8 . 1 1 112 112 ILE H H 112 8.118 8.118 8.599 -0.481 17992 4607 1 8 . 1 1 113 113 GLY N N 113 106.840 106.840 107.329 -0.489 17992 4608 1 8 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.032 0.740 17992 4609 1 8 . 1 1 113 113 GLY H H 113 8.409 8.409 8.165 0.244 17992 4610 1 8 . 1 1 114 114 LYS N N 114 120.736 120.736 121.226 -0.490 17992 4611 1 8 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.165 -0.045 17992 4612 1 8 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.494 0.644 17992 4613 1 8 . 1 1 114 114 LYS H H 114 7.847 7.847 7.447 0.400 17992 4614 1 8 . 1 1 115 115 TYR N N 115 117.055 117.055 119.589 -2.534 17992 4615 1 8 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.236 0.036 17992 4616 1 8 . 1 1 115 115 TYR CA C 115 60.430 60.430 61.746 -1.316 17992 4617 1 8 . 1 1 115 115 TYR H H 115 7.891 7.891 7.398 0.493 17992 4618 1 8 . 1 1 116 116 MET H H 116 8.170 8.170 8.092 0.078 17992 4619 1 8 . 1 1 117 117 LEU N N 117 117.768 117.768 119.168 -1.400 17992 4620 1 8 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.125 -0.216 17992 4621 1 8 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.079 1.515 17992 4622 1 8 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.854 -0.518 17992 4623 1 8 . 1 1 117 117 LEU H H 117 7.781 7.781 7.426 0.355 17992 4624 1 8 . 1 1 118 118 PHE N N 118 118.204 118.204 118.933 -0.729 17992 4625 1 8 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.164 0.264 17992 4626 1 8 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.691 -0.957 17992 4627 1 8 . 1 1 118 118 PHE H H 118 8.024 8.024 7.962 0.062 17992 4628 1 8 . 1 1 119 119 THR N N 119 114.941 114.941 113.683 1.258 17992 4629 1 8 . 1 1 119 119 THR HA H 119 3.972 3.972 4.144 -0.172 17992 4630 1 8 . 1 1 119 119 THR CA C 119 67.518 67.518 66.463 1.055 17992 4631 1 8 . 1 1 119 119 THR CB C 119 69.194 69.194 68.680 0.514 17992 4632 1 8 . 1 1 119 119 THR H H 119 8.171 8.171 7.719 0.452 17992 4633 1 8 . 1 1 120 120 LYS N N 120 121.758 121.758 121.698 0.060 17992 4634 1 8 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.065 -0.085 17992 4635 1 8 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.075 1.735 17992 4636 1 8 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.351 0.164 17992 4637 1 8 . 1 1 120 120 LYS H H 120 8.359 8.359 7.512 0.847 17992 4638 1 8 . 1 1 121 121 GLU N N 121 117.504 117.504 118.120 -0.616 17992 4639 1 8 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.073 0.141 17992 4640 1 8 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.920 0.320 17992 4641 1 8 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.711 -1.328 17992 4642 1 8 . 1 1 121 121 GLU H H 121 8.222 8.222 8.082 0.141 17992 4643 1 8 . 1 1 122 122 PHE N N 122 121.586 121.586 120.105 1.481 17992 4644 1 8 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.206 0.088 17992 4645 1 8 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.068 0.506 17992 4646 1 8 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.127 0.232 17992 4647 1 8 . 1 1 122 122 PHE H H 122 8.562 8.562 7.672 0.890 17992 4648 1 8 . 1 1 123 123 VAL N N 123 121.558 121.558 118.616 2.942 17992 4649 1 8 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.672 -0.156 17992 4650 1 8 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.865 1.743 17992 4651 1 8 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.314 0.147 17992 4652 1 8 . 1 1 123 123 VAL H H 123 8.784 8.784 7.579 1.205 17992 4653 1 8 . 1 1 124 124 GLU N N 124 118.314 118.314 120.469 -2.155 17992 4654 1 8 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.956 0.086 17992 4655 1 8 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.114 1.093 17992 4656 1 8 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.988 -0.563 17992 4657 1 8 . 1 1 124 124 GLU H H 124 8.564 8.564 7.916 0.648 17992 4658 1 8 . 1 1 125 125 SER N N 125 114.779 114.779 115.579 -0.800 17992 4659 1 8 . 1 1 125 125 SER HA H 125 4.265 4.265 4.004 0.261 17992 4660 1 8 . 1 1 125 125 SER CA C 125 62.342 62.342 60.869 1.473 17992 4661 1 8 . 1 1 125 125 SER CB C 125 63.162 63.162 62.754 0.408 17992 4662 1 8 . 1 1 125 125 SER H H 125 8.348 8.348 8.022 0.326 17992 4663 1 8 . 1 1 126 126 SER N N 126 118.464 118.464 117.563 0.901 17992 4664 1 8 . 1 1 126 126 SER HA H 126 4.069 4.069 4.353 -0.284 17992 4665 1 8 . 1 1 126 126 SER CA C 126 62.846 62.846 61.733 1.113 17992 4666 1 8 . 1 1 126 126 SER H H 126 8.144 8.144 7.944 0.201 17992 4667 1 8 . 1 1 127 127 ILE N N 127 124.705 124.705 117.028 7.677 17992 4668 1 8 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.103 -0.422 17992 4669 1 8 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.160 2.481 17992 4670 1 8 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.518 0.516 17992 4671 1 8 . 1 1 127 127 ILE H H 127 8.280 8.280 7.403 0.877 17992 4672 1 8 . 1 1 128 128 LYS N N 128 119.907 119.907 120.399 -0.492 17992 4673 1 8 . 1 1 128 128 LYS CA C 128 59.885 59.885 58.896 0.989 17992 4674 1 8 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.618 -0.370 17992 4675 1 8 . 1 1 128 128 LYS H H 128 7.741 7.741 7.495 0.246 17992 4676 1 8 . 1 1 129 129 ILE N N 129 118.807 118.807 118.090 0.717 17992 4677 1 8 . 1 1 129 129 ILE HA H 129 4.107 4.107 4.027 0.080 17992 4678 1 8 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.050 0.342 17992 4679 1 8 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.551 -0.501 17992 4680 1 8 . 1 1 129 129 ILE H H 129 8.215 8.215 7.720 0.495 17992 4681 1 8 . 1 1 130 130 THR N N 130 117.328 117.328 114.267 3.061 17992 4682 1 8 . 1 1 130 130 THR HA H 130 3.921 3.921 3.900 0.021 17992 4683 1 8 . 1 1 130 130 THR CA C 130 68.210 68.210 66.151 2.059 17992 4684 1 8 . 1 1 130 130 THR H H 130 7.988 7.988 7.949 0.039 17992 4685 1 8 . 1 1 131 131 GLU N N 131 118.968 118.968 121.601 -2.633 17992 4686 1 8 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.072 -0.094 17992 4687 1 8 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.944 0.655 17992 4688 1 8 . 1 1 131 131 GLU H H 131 8.439 8.439 8.048 0.391 17992 4689 1 8 . 1 1 132 132 GLU N N 132 118.712 118.712 119.077 -0.365 17992 4690 1 8 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.302 -0.076 17992 4691 1 8 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.112 1.155 17992 4692 1 8 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.866 -1.247 17992 4693 1 8 . 1 1 132 132 GLU H H 132 7.987 7.987 7.765 0.222 17992 4694 1 8 . 1 1 133 133 VAL N N 133 120.060 120.060 120.819 -0.759 17992 4695 1 8 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.984 -0.117 17992 4696 1 8 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.785 1.545 17992 4697 1 8 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.162 -0.006 17992 4698 1 8 . 1 1 133 133 VAL H H 133 8.341 8.341 7.981 0.360 17992 4699 1 8 . 1 1 134 134 ILE N N 134 119.699 119.699 121.308 -1.609 17992 4700 1 8 . 1 1 134 134 ILE HA H 134 3.860 3.860 4.002 -0.142 17992 4701 1 8 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.732 1.452 17992 4702 1 8 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.715 0.187 17992 4703 1 8 . 1 1 134 134 ILE H H 134 8.331 8.331 7.780 0.551 17992 4704 1 8 . 1 1 135 135 ASN N N 135 117.396 117.396 116.433 0.963 17992 4705 1 8 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.596 0.079 17992 4706 1 8 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.880 -0.375 17992 4707 1 8 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.821 0.306 17992 4708 1 8 . 1 1 135 135 ASN H H 135 8.318 8.318 7.922 0.396 17992 4709 1 8 . 1 1 136 136 THR N N 136 111.419 111.419 113.401 -1.982 17992 4710 1 8 . 1 1 136 136 THR HA H 136 4.308 4.308 4.250 0.058 17992 4711 1 8 . 1 1 136 136 THR CA C 136 63.872 63.872 65.573 -1.701 17992 4712 1 8 . 1 1 136 136 THR CB C 136 69.779 69.779 69.292 0.487 17992 4713 1 8 . 1 1 136 136 THR H H 136 8.006 8.006 7.575 0.431 17992 4714 1 8 . 1 1 137 137 HIS N N 137 118.612 118.612 121.671 -3.059 17992 4715 1 8 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.395 0.308 17992 4716 1 8 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.487 -3.027 17992 4717 1 8 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.088 -1.376 17992 4718 1 8 . 1 1 137 137 HIS H H 137 8.013 8.013 8.418 -0.405 17992 4719 1 8 . 1 1 138 138 HIS N N 138 118.709 118.709 117.893 0.816 17992 4720 1 8 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.333 0.493 17992 4721 1 8 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.422 -1.908 17992 4722 1 8 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.729 -1.483 17992 4723 1 8 . 1 1 138 138 HIS H H 138 8.169 8.169 7.633 0.536 17992 4724 1 8 . 1 1 139 139 ARG N N 139 123.025 123.025 119.503 3.522 17992 4725 1 8 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.890 0.676 17992 4726 1 8 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.373 -1.979 17992 4727 1 8 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.831 0.190 17992 4728 1 8 . 1 1 139 139 ARG H H 139 8.419 8.419 7.800 0.619 17992 4729 1 9 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.356 0.382 17992 4730 1 9 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.725 0.051 17992 4731 1 9 . 1 1 8 8 HIS CB C 8 29.344 29.344 28.913 0.431 17992 4732 1 9 . 1 1 8 8 HIS H H 8 8.686 8.686 8.398 0.288 17992 4733 1 9 . 1 1 9 9 ALA N N 9 124.079 124.079 126.519 -2.440 17992 4734 1 9 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.136 0.251 17992 4735 1 9 . 1 1 9 9 ALA CA C 9 53.287 53.287 53.393 -0.106 17992 4736 1 9 . 1 1 9 9 ALA CB C 9 19.175 19.175 19.425 -0.250 17992 4737 1 9 . 1 1 9 9 ALA H H 9 8.457 8.457 8.193 0.264 17992 4738 1 9 . 1 1 10 10 MET N N 10 120.430 120.430 119.043 1.387 17992 4739 1 9 . 1 1 10 10 MET HA H 10 4.390 4.390 4.063 0.327 17992 4740 1 9 . 1 1 10 10 MET CA C 10 57.753 57.753 58.505 -0.753 17992 4741 1 9 . 1 1 10 10 MET CB C 10 32.355 32.355 33.469 -1.114 17992 4742 1 9 . 1 1 10 10 MET H H 10 8.545 8.545 8.043 0.502 17992 4743 1 9 . 1 1 11 11 VAL N N 11 119.159 119.159 115.376 3.783 17992 4744 1 9 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.679 0.337 17992 4745 1 9 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.743 1.528 17992 4746 1 9 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.673 -0.062 17992 4747 1 9 . 1 1 11 11 VAL H H 11 8.339 8.339 7.933 0.406 17992 4748 1 9 . 1 1 12 12 ILE N N 12 119.461 119.461 118.807 0.654 17992 4749 1 9 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.863 0.090 17992 4750 1 9 . 1 1 12 12 ILE CA C 12 64.334 64.334 62.586 1.748 17992 4751 1 9 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.485 -0.989 17992 4752 1 9 . 1 1 12 12 ILE H H 12 7.705 7.705 7.578 0.127 17992 4753 1 9 . 1 1 13 13 ASP N N 13 119.460 119.460 119.619 -0.159 17992 4754 1 9 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.534 -0.150 17992 4755 1 9 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.157 1.367 17992 4756 1 9 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.913 -1.501 17992 4757 1 9 . 1 1 13 13 ASP H H 13 8.172 8.172 7.615 0.557 17992 4758 1 9 . 1 1 14 14 HIS N N 14 116.421 116.421 116.666 -0.245 17992 4759 1 9 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.501 0.039 17992 4760 1 9 . 1 1 14 14 HIS CA C 14 58.748 58.748 56.901 1.847 17992 4761 1 9 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.205 -1.553 17992 4762 1 9 . 1 1 14 14 HIS H H 14 8.138 8.138 8.111 0.027 17992 4763 1 9 . 1 1 15 15 ILE N N 15 119.970 119.970 119.058 0.912 17992 4764 1 9 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.927 -0.119 17992 4765 1 9 . 1 1 15 15 ILE CA C 15 65.404 65.404 63.597 1.807 17992 4766 1 9 . 1 1 15 15 ILE CB C 15 37.787 37.787 38.041 -0.254 17992 4767 1 9 . 1 1 15 15 ILE H H 15 8.224 8.224 7.309 0.915 17992 4768 1 9 . 1 1 16 16 LEU N N 16 118.635 118.635 122.196 -3.561 17992 4769 1 9 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.566 1.426 17992 4770 1 9 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.414 0.372 17992 4771 1 9 . 1 1 16 16 LEU H H 16 8.480 8.480 7.928 0.552 17992 4772 1 9 . 1 1 17 17 LYS N N 17 118.257 118.257 117.028 1.229 17992 4773 1 9 . 1 1 17 17 LYS HA H 17 4.094 4.094 3.995 0.099 17992 4774 1 9 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.121 0.761 17992 4775 1 9 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.598 0.618 17992 4776 1 9 . 1 1 17 17 LYS H H 17 8.098 8.098 8.251 -0.153 17992 4777 1 9 . 1 1 18 18 CYS N N 18 117.220 117.220 118.570 -1.350 17992 4778 1 9 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.256 0.073 17992 4779 1 9 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.855 0.363 17992 4780 1 9 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.832 -1.010 17992 4781 1 9 . 1 1 18 18 CYS H H 18 7.899 7.899 7.831 0.068 17992 4782 1 9 . 1 1 19 19 VAL N N 19 118.929 118.929 119.635 -0.706 17992 4783 1 9 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.931 -0.206 17992 4784 1 9 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.085 1.995 17992 4785 1 9 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.284 -0.227 17992 4786 1 9 . 1 1 19 19 VAL H H 19 8.352 8.352 7.674 0.678 17992 4787 1 9 . 1 1 20 20 PHE N N 20 120.244 120.244 119.513 0.731 17992 4788 1 9 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.233 0.041 17992 4789 1 9 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.462 1.164 17992 4790 1 9 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.635 -0.555 17992 4791 1 9 . 1 1 20 20 PHE H H 20 8.791 8.791 8.689 0.102 17992 4792 1 9 . 1 1 21 21 ASP N N 21 118.761 118.761 120.004 -1.243 17992 4793 1 9 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.429 -0.066 17992 4794 1 9 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.272 0.245 17992 4795 1 9 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.906 -0.838 17992 4796 1 9 . 1 1 21 21 ASP H H 21 8.705 8.705 7.956 0.749 17992 4797 1 9 . 1 1 22 22 LYS N N 22 118.200 118.200 119.611 -1.411 17992 4798 1 9 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.156 0.038 17992 4799 1 9 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.093 -0.500 17992 4800 1 9 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.454 -0.155 17992 4801 1 9 . 1 1 22 22 LYS H H 22 7.810 7.810 7.842 -0.032 17992 4802 1 9 . 1 1 23 23 ILE N N 23 118.534 118.534 119.915 -1.381 17992 4803 1 9 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.909 -0.128 17992 4804 1 9 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.991 0.105 17992 4805 1 9 . 1 1 23 23 ILE H H 23 8.351 8.351 7.754 0.597 17992 4806 1 9 . 1 1 24 24 CYS N N 24 117.155 117.155 115.187 1.968 17992 4807 1 9 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.240 -0.191 17992 4808 1 9 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.759 0.740 17992 4809 1 9 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.775 -1.149 17992 4810 1 9 . 1 1 24 24 CYS H H 24 8.203 8.203 7.923 0.280 17992 4811 1 9 . 1 1 25 25 LYS N N 25 119.995 119.995 122.142 -2.147 17992 4812 1 9 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.168 -0.406 17992 4813 1 9 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.722 -0.337 17992 4814 1 9 . 1 1 25 25 LYS H H 25 7.760 7.760 7.299 0.461 17992 4815 1 9 . 1 1 26 26 ILE N N 26 119.168 119.168 115.928 3.240 17992 4816 1 9 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.645 0.329 17992 4817 1 9 . 1 1 26 26 ILE CA C 26 64.106 64.106 64.296 -0.190 17992 4818 1 9 . 1 1 26 26 ILE CB C 26 37.556 37.556 36.830 0.726 17992 4819 1 9 . 1 1 26 26 ILE H H 26 8.055 8.055 8.372 -0.317 17992 4820 1 9 . 1 1 27 27 GLY N N 27 108.257 108.257 107.443 0.814 17992 4821 1 9 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.437 -0.448 17992 4822 1 9 . 1 1 27 27 GLY H H 27 8.568 8.568 7.835 0.733 17992 4823 1 9 . 1 1 28 28 THR N N 28 112.727 112.727 116.049 -3.322 17992 4824 1 9 . 1 1 28 28 THR HA H 28 3.912 3.912 3.971 -0.059 17992 4825 1 9 . 1 1 28 28 THR CA C 28 64.717 64.717 65.989 -1.272 17992 4826 1 9 . 1 1 28 28 THR CB C 28 69.375 69.375 68.171 1.204 17992 4827 1 9 . 1 1 28 28 THR H H 28 8.059 8.059 7.726 0.333 17992 4828 1 9 . 1 1 29 29 GLU N N 29 120.068 120.068 119.000 1.068 17992 4829 1 9 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.797 -1.193 17992 4830 1 9 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.585 -0.492 17992 4831 1 9 . 1 1 29 29 GLU H H 29 8.113 8.113 7.545 0.568 17992 4832 1 9 . 1 1 30 30 SER N N 30 114.882 114.882 115.424 -0.542 17992 4833 1 9 . 1 1 30 30 SER HA H 30 4.374 4.374 4.208 0.166 17992 4834 1 9 . 1 1 30 30 SER CA C 30 60.353 60.353 60.739 -0.386 17992 4835 1 9 . 1 1 30 30 SER H H 30 8.060 8.060 7.739 0.321 17992 4836 1 9 . 1 1 31 31 VAL N N 31 122.098 122.098 120.418 1.680 17992 4837 1 9 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.750 0.267 17992 4838 1 9 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.870 -1.243 17992 4839 1 9 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.101 0.884 17992 4840 1 9 . 1 1 31 31 VAL H H 31 8.127 8.127 8.437 -0.310 17992 4841 1 9 . 1 1 32 32 GLU N N 32 120.280 120.280 119.852 0.428 17992 4842 1 9 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.093 0.225 17992 4843 1 9 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.389 -1.502 17992 4844 1 9 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.355 -0.702 17992 4845 1 9 . 1 1 32 32 GLU H H 32 8.243 8.243 7.491 0.752 17992 4846 1 9 . 1 1 33 33 ALA N N 33 121.715 121.715 121.785 -0.070 17992 4847 1 9 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.937 0.252 17992 4848 1 9 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.286 0.438 17992 4849 1 9 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.014 0.714 17992 4850 1 9 . 1 1 33 33 ALA H H 33 8.218 8.218 7.413 0.805 17992 4851 1 9 . 1 1 34 34 GLY N N 34 104.656 104.656 105.294 -0.638 17992 4852 1 9 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.001 1.073 17992 4853 1 9 . 1 1 34 34 GLY H H 34 8.308 8.308 7.914 0.394 17992 4854 1 9 . 1 1 35 35 ARG N N 35 119.958 119.958 120.851 -0.893 17992 4855 1 9 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.354 -0.078 17992 4856 1 9 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.862 2.163 17992 4857 1 9 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.408 0.881 17992 4858 1 9 . 1 1 35 35 ARG H H 35 7.975 7.975 7.351 0.624 17992 4859 1 9 . 1 1 36 36 LEU N N 36 118.931 118.931 121.385 -2.454 17992 4860 1 9 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.166 0.058 17992 4861 1 9 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.641 0.162 17992 4862 1 9 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.448 0.745 17992 4863 1 9 . 1 1 36 36 LEU H H 36 7.958 7.958 8.484 -0.526 17992 4864 1 9 . 1 1 37 37 ILE N N 37 118.087 118.087 117.938 0.149 17992 4865 1 9 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.709 0.222 17992 4866 1 9 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.298 0.561 17992 4867 1 9 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.679 0.360 17992 4868 1 9 . 1 1 37 37 ILE H H 37 7.904 7.904 7.659 0.245 17992 4869 1 9 . 1 1 38 38 GLU N N 38 120.989 120.989 120.724 0.265 17992 4870 1 9 . 1 1 38 38 GLU HA H 38 4.231 4.231 4.060 0.171 17992 4871 1 9 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.336 -0.891 17992 4872 1 9 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.451 -0.440 17992 4873 1 9 . 1 1 38 38 GLU H H 38 8.041 8.041 7.462 0.580 17992 4874 1 9 . 1 1 39 39 LEU N N 39 120.111 120.111 120.491 -0.380 17992 4875 1 9 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.093 0.178 17992 4876 1 9 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.346 0.065 17992 4877 1 9 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.575 0.720 17992 4878 1 9 . 1 1 39 39 LEU H H 39 8.173 8.173 7.941 0.232 17992 4879 1 9 . 1 1 40 40 SER N N 40 113.806 113.806 112.428 1.378 17992 4880 1 9 . 1 1 40 40 SER HA H 40 4.312 4.312 4.272 0.040 17992 4881 1 9 . 1 1 40 40 SER CA C 40 60.406 60.406 60.294 0.112 17992 4882 1 9 . 1 1 40 40 SER CB C 40 63.646 63.646 63.576 0.070 17992 4883 1 9 . 1 1 40 40 SER H H 40 8.031 8.031 7.718 0.313 17992 4884 1 9 . 1 1 41 41 GLN N N 41 120.139 120.139 119.742 0.397 17992 4885 1 9 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.088 0.308 17992 4886 1 9 . 1 1 41 41 GLN CA C 41 56.601 56.601 56.716 -0.115 17992 4887 1 9 . 1 1 41 41 GLN CB C 41 29.385 29.385 27.599 1.786 17992 4888 1 9 . 1 1 41 41 GLN H H 41 7.956 7.956 7.498 0.458 17992 4889 1 9 . 1 1 42 42 GLU N N 42 119.728 119.728 124.138 -4.410 17992 4890 1 9 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.498 -0.125 17992 4891 1 9 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.063 1.026 17992 4892 1 9 . 1 1 42 42 GLU CB C 42 29.355 29.355 30.030 -0.676 17992 4893 1 9 . 1 1 42 42 GLU H H 42 8.114 8.114 8.234 -0.120 17992 4894 1 9 . 1 1 43 43 GLY N N 43 108.655 108.655 109.307 -0.652 17992 4895 1 9 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.295 0.328 17992 4896 1 9 . 1 1 43 43 GLY H H 43 8.325 8.325 8.465 -0.140 17992 4897 1 9 . 1 1 44 44 GLY N N 44 107.872 107.872 108.223 -0.351 17992 4898 1 9 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.565 0.922 17992 4899 1 9 . 1 1 44 44 GLY H H 44 8.105 8.105 7.878 0.227 17992 4900 1 9 . 1 1 48 48 GLY CA C 48 45.395 45.395 44.059 1.336 17992 4901 1 9 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.640 -0.171 17992 4902 1 9 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.085 1.345 17992 4903 1 9 . 1 1 49 49 PRO CB C 49 32.321 32.321 32.108 0.213 17992 4904 1 9 . 1 1 50 50 LEU N N 50 116.864 116.864 117.939 -1.075 17992 4905 1 9 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.191 0.011 17992 4906 1 9 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.115 0.434 17992 4907 1 9 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.391 0.308 17992 4908 1 9 . 1 1 50 50 LEU H H 50 8.336 8.336 8.019 0.317 17992 4909 1 9 . 1 1 51 51 TYR N N 51 118.433 118.433 120.627 -2.194 17992 4910 1 9 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.237 -0.072 17992 4911 1 9 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.857 0.177 17992 4912 1 9 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.367 0.117 17992 4913 1 9 . 1 1 51 51 TYR H H 51 7.765 7.765 7.914 -0.149 17992 4914 1 9 . 1 1 52 52 PHE N N 52 117.945 117.945 119.556 -1.611 17992 4915 1 9 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.598 0.662 17992 4916 1 9 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.316 0.935 17992 4917 1 9 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.731 0.588 17992 4918 1 9 . 1 1 52 52 PHE H H 52 7.873 7.873 7.337 0.536 17992 4919 1 9 . 1 1 53 53 VAL N N 53 117.468 117.468 118.349 -0.881 17992 4920 1 9 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.119 0.533 17992 4921 1 9 . 1 1 53 53 VAL CA C 53 66.298 66.298 64.886 1.412 17992 4922 1 9 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.650 0.160 17992 4923 1 9 . 1 1 53 53 VAL H H 53 7.864 7.864 7.260 0.604 17992 4924 1 9 . 1 1 54 54 VAL N N 54 116.929 116.929 120.517 -3.588 17992 4925 1 9 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.633 0.069 17992 4926 1 9 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.259 -0.192 17992 4927 1 9 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.817 -0.016 17992 4928 1 9 . 1 1 54 54 VAL H H 54 7.958 7.958 7.693 0.265 17992 4929 1 9 . 1 1 55 55 ASN N N 55 115.543 115.543 116.900 -1.357 17992 4930 1 9 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.636 -0.006 17992 4931 1 9 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.429 0.031 17992 4932 1 9 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.670 1.259 17992 4933 1 9 . 1 1 55 55 ASN H H 55 7.823 7.823 8.021 -0.198 17992 4934 1 9 . 1 1 56 56 VAL N N 56 116.125 116.125 119.437 -3.312 17992 4935 1 9 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.827 0.270 17992 4936 1 9 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.603 -1.464 17992 4937 1 9 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.162 -0.159 17992 4938 1 9 . 1 1 56 56 VAL H H 56 7.664 7.664 7.184 0.480 17992 4939 1 9 . 1 1 57 57 ILE N N 57 116.872 116.872 118.344 -1.472 17992 4940 1 9 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.714 0.295 17992 4941 1 9 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.433 1.117 17992 4942 1 9 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.435 1.328 17992 4943 1 9 . 1 1 57 57 ILE H H 57 7.587 7.587 7.938 -0.351 17992 4944 1 9 . 1 1 58 58 GLU N N 58 118.190 118.190 120.628 -2.438 17992 4945 1 9 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.141 0.058 17992 4946 1 9 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.909 -1.604 17992 4947 1 9 . 1 1 58 58 GLU H H 58 8.114 8.114 7.828 0.286 17992 4948 1 9 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.400 0.109 17992 4949 1 9 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.052 0.510 17992 4950 1 9 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.308 0.158 17992 4951 1 9 . 1 1 60 60 CYS N N 60 115.035 115.035 118.039 -3.004 17992 4952 1 9 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.211 0.057 17992 4953 1 9 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.341 -0.228 17992 4954 1 9 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.347 -0.357 17992 4955 1 9 . 1 1 60 60 CYS H H 60 7.913 7.913 7.541 0.372 17992 4956 1 9 . 1 1 61 61 LYS N N 61 121.184 121.184 120.597 0.587 17992 4957 1 9 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.040 0.232 17992 4958 1 9 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.820 -0.731 17992 4959 1 9 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.038 0.390 17992 4960 1 9 . 1 1 61 61 LYS H H 61 8.197 8.197 8.155 0.042 17992 4961 1 9 . 1 1 62 62 LYS N N 62 118.253 118.253 117.236 1.017 17992 4962 1 9 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.052 -1.208 17992 4963 1 9 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.376 -0.285 17992 4964 1 9 . 1 1 62 62 LYS H H 62 7.982 7.982 7.700 0.282 17992 4965 1 9 . 1 1 63 63 PHE N N 63 118.763 118.763 117.621 1.142 17992 4966 1 9 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.557 -0.302 17992 4967 1 9 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.578 0.956 17992 4968 1 9 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.356 -0.206 17992 4969 1 9 . 1 1 63 63 PHE H H 63 8.155 8.155 7.415 0.740 17992 4970 1 9 . 1 1 64 64 SER N N 64 114.881 114.881 116.069 -1.188 17992 4971 1 9 . 1 1 64 64 SER HA H 64 4.268 4.268 4.284 -0.016 17992 4972 1 9 . 1 1 64 64 SER CA C 64 61.588 61.588 61.615 -0.027 17992 4973 1 9 . 1 1 64 64 SER CB C 64 63.175 63.175 62.743 0.432 17992 4974 1 9 . 1 1 64 64 SER H H 64 8.218 8.218 8.031 0.187 17992 4975 1 9 . 1 1 65 65 GLU N N 65 120.937 120.937 119.957 0.980 17992 4976 1 9 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.161 0.123 17992 4977 1 9 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.596 -0.385 17992 4978 1 9 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.716 -0.754 17992 4979 1 9 . 1 1 65 65 GLU H H 65 8.067 8.067 7.689 0.378 17992 4980 1 9 . 1 1 66 66 LEU N N 66 118.904 118.904 118.976 -0.072 17992 4981 1 9 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.021 0.242 17992 4982 1 9 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.356 -0.134 17992 4983 1 9 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.302 1.023 17992 4984 1 9 . 1 1 66 66 LEU H H 66 8.003 8.003 7.333 0.670 17992 4985 1 9 . 1 1 67 67 THR N N 67 108.190 108.190 113.311 -5.121 17992 4986 1 9 . 1 1 67 67 THR HA H 67 4.043 4.043 4.281 -0.238 17992 4987 1 9 . 1 1 67 67 THR CA C 67 64.579 64.579 66.142 -1.563 17992 4988 1 9 . 1 1 67 67 THR CB C 67 69.410 69.410 68.511 0.899 17992 4989 1 9 . 1 1 67 67 THR H H 67 7.783 7.783 8.024 -0.241 17992 4990 1 9 . 1 1 68 68 GLY N N 68 108.141 108.141 107.780 0.361 17992 4991 1 9 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.433 0.811 17992 4992 1 9 . 1 1 68 68 GLY H H 68 7.964 7.964 7.557 0.407 17992 4993 1 9 . 1 1 69 69 LEU N N 69 120.124 120.124 121.140 -1.016 17992 4994 1 9 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.584 -0.232 17992 4995 1 9 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.719 0.767 17992 4996 1 9 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.591 -0.217 17992 4997 1 9 . 1 1 69 69 LEU H H 69 7.749 7.749 7.607 0.142 17992 4998 1 9 . 1 1 70 70 VAL N N 70 115.546 115.546 117.857 -2.311 17992 4999 1 9 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.864 0.071 17992 5000 1 9 . 1 1 70 70 VAL CA C 70 63.630 63.630 65.047 -1.417 17992 5001 1 9 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.403 -0.139 17992 5002 1 9 . 1 1 70 70 VAL H H 70 7.607 7.607 7.563 0.044 17992 5003 1 9 . 1 1 71 71 PHE N N 71 119.035 119.035 117.100 1.935 17992 5004 1 9 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.531 0.027 17992 5005 1 9 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.307 -0.760 17992 5006 1 9 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.401 -0.101 17992 5007 1 9 . 1 1 71 71 PHE H H 71 7.618 7.618 8.029 -0.411 17992 5008 1 9 . 1 1 72 72 TYR N N 72 118.365 118.365 118.747 -0.382 17992 5009 1 9 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.570 0.009 17992 5010 1 9 . 1 1 72 72 TYR CA C 72 58.097 58.097 58.936 -0.839 17992 5011 1 9 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.971 -1.727 17992 5012 1 9 . 1 1 72 72 TYR H H 72 7.740 7.740 7.646 0.094 17992 5013 1 9 . 1 1 73 73 LEU N N 73 121.184 121.184 122.695 -1.511 17992 5014 1 9 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.654 -0.079 17992 5015 1 9 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.548 2.001 17992 5016 1 9 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.486 -1.405 17992 5017 1 9 . 1 1 73 73 LEU H H 73 7.713 7.713 8.022 -0.309 17992 5018 1 9 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.570 0.068 17992 5019 1 9 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.712 0.492 17992 5020 1 9 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.366 -0.685 17992 5021 1 9 . 1 1 75 75 THR N N 75 113.231 113.231 116.427 -3.196 17992 5022 1 9 . 1 1 75 75 THR HA H 75 4.339 4.339 4.437 -0.098 17992 5023 1 9 . 1 1 75 75 THR CA C 75 62.684 62.684 63.153 -0.469 17992 5024 1 9 . 1 1 75 75 THR H H 75 8.217 8.217 8.296 -0.079 17992 5025 1 9 . 1 1 76 76 ASP N N 76 120.892 120.892 117.947 2.945 17992 5026 1 9 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.656 0.134 17992 5027 1 9 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.745 0.494 17992 5028 1 9 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.103 -1.788 17992 5029 1 9 . 1 1 76 76 ASP H H 76 8.406 8.406 7.680 0.726 17992 5030 1 9 . 1 1 77 77 SER N N 77 115.861 115.861 114.272 1.589 17992 5031 1 9 . 1 1 77 77 SER HA H 77 4.345 4.345 4.353 -0.008 17992 5032 1 9 . 1 1 77 77 SER CA C 77 60.528 60.528 59.546 0.982 17992 5033 1 9 . 1 1 77 77 SER CB C 77 63.812 63.812 63.886 -0.074 17992 5034 1 9 . 1 1 77 77 SER H H 77 8.238 8.238 8.468 -0.230 17992 5035 1 9 . 1 1 78 78 GLY N N 78 110.440 110.440 106.456 3.984 17992 5036 1 9 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.004 1.649 17992 5037 1 9 . 1 1 78 78 GLY H H 78 8.570 8.570 7.904 0.666 17992 5038 1 9 . 1 1 79 79 GLU N N 79 121.242 121.242 121.963 -0.721 17992 5039 1 9 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.038 0.282 17992 5040 1 9 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.245 -1.227 17992 5041 1 9 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.897 -0.815 17992 5042 1 9 . 1 1 79 79 GLU H H 79 8.237 8.237 8.526 -0.289 17992 5043 1 9 . 1 1 80 80 LYS N N 80 119.708 119.708 118.948 0.760 17992 5044 1 9 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.039 0.280 17992 5045 1 9 . 1 1 80 80 LYS CA C 80 57.881 57.881 59.155 -1.274 17992 5046 1 9 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.707 1.039 17992 5047 1 9 . 1 1 80 80 LYS H H 80 8.252 8.252 8.641 -0.389 17992 5048 1 9 . 1 1 81 81 MET N N 81 119.849 119.849 116.390 3.459 17992 5049 1 9 . 1 1 81 81 MET HA H 81 4.367 4.367 4.236 0.131 17992 5050 1 9 . 1 1 81 81 MET CA C 81 57.845 57.845 59.519 -1.674 17992 5051 1 9 . 1 1 81 81 MET CB C 81 32.658 32.658 31.937 0.721 17992 5052 1 9 . 1 1 81 81 MET H H 81 8.419 8.419 7.965 0.454 17992 5053 1 9 . 1 1 82 82 THR N N 82 114.947 114.947 114.980 -0.033 17992 5054 1 9 . 1 1 82 82 THR HA H 82 4.132 4.132 3.987 0.145 17992 5055 1 9 . 1 1 82 82 THR CA C 82 65.377 65.377 66.428 -1.051 17992 5056 1 9 . 1 1 82 82 THR CB C 82 69.035 69.035 68.630 0.405 17992 5057 1 9 . 1 1 82 82 THR H H 82 8.115 8.115 8.150 -0.035 17992 5058 1 9 . 1 1 83 83 GLU N N 83 121.416 121.416 119.063 2.353 17992 5059 1 9 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.226 0.147 17992 5060 1 9 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.631 -0.567 17992 5061 1 9 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.598 -0.656 17992 5062 1 9 . 1 1 83 83 GLU H H 83 8.336 8.336 8.345 -0.009 17992 5063 1 9 . 1 1 84 84 SER N N 84 115.783 115.783 114.107 1.676 17992 5064 1 9 . 1 1 84 84 SER HA H 84 4.278 4.278 4.387 -0.109 17992 5065 1 9 . 1 1 84 84 SER CA C 84 61.685 61.685 60.390 1.295 17992 5066 1 9 . 1 1 84 84 SER H H 84 8.191 8.191 7.729 0.462 17992 5067 1 9 . 1 1 85 85 LYS N N 85 121.318 121.318 121.927 -0.609 17992 5068 1 9 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.203 -0.118 17992 5069 1 9 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.898 0.889 17992 5070 1 9 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.022 0.408 17992 5071 1 9 . 1 1 85 85 LYS H H 85 8.113 8.113 8.138 -0.025 17992 5072 1 9 . 1 1 86 86 SER N N 86 115.042 115.042 113.843 1.199 17992 5073 1 9 . 1 1 86 86 SER HA H 86 4.389 4.389 4.378 0.011 17992 5074 1 9 . 1 1 86 86 SER CA C 86 61.437 61.437 60.557 0.880 17992 5075 1 9 . 1 1 86 86 SER CB C 86 63.116 63.116 62.775 0.341 17992 5076 1 9 . 1 1 86 86 SER H H 86 8.066 8.066 7.882 0.184 17992 5077 1 9 . 1 1 87 87 VAL N N 87 122.920 122.920 121.563 1.357 17992 5078 1 9 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.905 0.475 17992 5079 1 9 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.003 1.120 17992 5080 1 9 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.516 -0.137 17992 5081 1 9 . 1 1 87 87 VAL H H 87 8.103 8.103 7.674 0.429 17992 5082 1 9 . 1 1 88 88 LEU N N 88 119.501 119.501 120.288 -0.787 17992 5083 1 9 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.011 0.111 17992 5084 1 9 . 1 1 88 88 LEU CA C 88 57.906 57.906 58.191 -0.285 17992 5085 1 9 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.500 0.444 17992 5086 1 9 . 1 1 88 88 LEU H H 88 8.146 8.146 7.285 0.861 17992 5087 1 9 . 1 1 89 89 LYS N N 89 120.285 120.285 118.968 1.317 17992 5088 1 9 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.125 -0.030 17992 5089 1 9 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.410 1.477 17992 5090 1 9 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.096 0.130 17992 5091 1 9 . 1 1 89 89 LYS H H 89 8.245 8.245 7.908 0.337 17992 5092 1 9 . 1 1 90 90 SER N N 90 115.131 115.131 114.203 0.928 17992 5093 1 9 . 1 1 90 90 SER HA H 90 4.362 4.362 4.402 -0.040 17992 5094 1 9 . 1 1 90 90 SER CA C 90 61.815 61.815 60.243 1.572 17992 5095 1 9 . 1 1 90 90 SER H H 90 8.037 8.037 7.604 0.433 17992 5096 1 9 . 1 1 91 91 LEU N N 91 120.855 120.855 121.860 -1.005 17992 5097 1 9 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.260 -0.112 17992 5098 1 9 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.486 0.927 17992 5099 1 9 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.836 0.339 17992 5100 1 9 . 1 1 91 91 LEU H H 91 8.445 8.445 7.811 0.634 17992 5101 1 9 . 1 1 92 92 THR N N 92 112.933 112.933 115.300 -2.367 17992 5102 1 9 . 1 1 92 92 THR HA H 92 3.904 3.904 3.935 -0.031 17992 5103 1 9 . 1 1 92 92 THR CA C 92 67.390 67.390 66.952 0.438 17992 5104 1 9 . 1 1 92 92 THR CB C 92 69.367 69.367 68.546 0.821 17992 5105 1 9 . 1 1 92 92 THR H H 92 8.383 8.383 7.611 0.772 17992 5106 1 9 . 1 1 93 93 GLU N N 93 120.387 120.387 119.733 0.654 17992 5107 1 9 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.642 -0.155 17992 5108 1 9 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.497 -0.352 17992 5109 1 9 . 1 1 93 93 GLU H H 93 7.971 7.971 8.335 -0.364 17992 5110 1 9 . 1 1 94 94 LYS N N 94 118.470 118.470 117.200 1.270 17992 5111 1 9 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.187 -0.021 17992 5112 1 9 . 1 1 94 94 LYS CA C 94 59.046 59.046 56.878 2.168 17992 5113 1 9 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.333 0.014 17992 5114 1 9 . 1 1 94 94 LYS H H 94 7.804 7.804 7.994 -0.190 17992 5115 1 9 . 1 1 95 95 LEU N N 95 118.397 118.397 119.360 -0.963 17992 5116 1 9 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.351 -0.192 17992 5117 1 9 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.033 1.844 17992 5118 1 9 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.060 -0.111 17992 5119 1 9 . 1 1 95 95 LEU H H 95 8.256 8.256 7.239 1.017 17992 5120 1 9 . 1 1 96 96 LYS N N 96 117.747 117.747 119.818 -2.071 17992 5121 1 9 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.024 -0.084 17992 5122 1 9 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.561 0.721 17992 5123 1 9 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.881 0.468 17992 5124 1 9 . 1 1 96 96 LYS H H 96 8.105 8.105 8.503 -0.398 17992 5125 1 9 . 1 1 97 97 LYS N N 97 116.451 116.451 119.472 -3.021 17992 5126 1 9 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.188 -0.021 17992 5127 1 9 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.388 1.155 17992 5128 1 9 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.929 0.222 17992 5129 1 9 . 1 1 97 97 LYS H H 97 7.520 7.520 7.826 -0.306 17992 5130 1 9 . 1 1 98 98 ILE N N 98 117.587 117.587 121.777 -4.190 17992 5131 1 9 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.810 0.120 17992 5132 1 9 . 1 1 98 98 ILE CA C 98 64.299 64.299 64.048 0.251 17992 5133 1 9 . 1 1 98 98 ILE CB C 98 37.749 37.749 37.987 -0.238 17992 5134 1 9 . 1 1 98 98 ILE H H 98 7.782 7.782 7.545 0.237 17992 5135 1 9 . 1 1 99 99 VAL N N 99 116.989 116.989 118.524 -1.535 17992 5136 1 9 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.702 0.123 17992 5137 1 9 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.331 0.632 17992 5138 1 9 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.289 0.193 17992 5139 1 9 . 1 1 99 99 VAL H H 99 7.917 7.917 7.556 0.361 17992 5140 1 9 . 1 1 100 100 GLU N N 100 116.782 116.782 117.394 -0.612 17992 5141 1 9 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.278 -0.065 17992 5142 1 9 . 1 1 100 100 GLU CA C 100 57.974 57.974 56.789 1.185 17992 5143 1 9 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.544 -1.621 17992 5144 1 9 . 1 1 100 100 GLU H H 100 7.702 7.702 8.017 -0.315 17992 5145 1 9 . 1 1 101 101 LEU N N 101 118.218 118.218 122.651 -4.433 17992 5146 1 9 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.412 -0.257 17992 5147 1 9 . 1 1 101 101 LEU CA C 101 55.736 55.736 53.986 1.750 17992 5148 1 9 . 1 1 101 101 LEU CB C 101 43.039 43.039 40.587 2.452 17992 5149 1 9 . 1 1 101 101 LEU H H 101 7.751 7.751 7.727 0.024 17992 5150 1 9 . 1 1 102 102 ILE N N 102 119.412 119.412 118.382 1.030 17992 5151 1 9 . 1 1 102 102 ILE HA H 102 3.727 3.727 3.834 -0.107 17992 5152 1 9 . 1 1 102 102 ILE CA C 102 61.809 61.809 60.957 0.852 17992 5153 1 9 . 1 1 102 102 ILE H H 102 7.559 7.559 7.697 -0.138 17992 5154 1 9 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.564 0.023 17992 5155 1 9 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.717 1.572 17992 5156 1 9 . 1 1 103 103 PRO CB C 103 31.886 31.886 32.296 -0.410 17992 5157 1 9 . 1 1 104 104 SER N N 104 112.794 112.794 116.763 -3.969 17992 5158 1 9 . 1 1 104 104 SER HA H 104 4.571 4.571 4.527 0.044 17992 5159 1 9 . 1 1 104 104 SER CA C 104 59.286 59.286 57.638 1.649 17992 5160 1 9 . 1 1 104 104 SER CB C 104 63.849 63.849 63.901 -0.052 17992 5161 1 9 . 1 1 104 104 SER H H 104 8.100 8.100 8.259 -0.159 17992 5162 1 9 . 1 1 105 105 THR N N 105 114.655 114.655 111.718 2.937 17992 5163 1 9 . 1 1 105 105 THR HA H 105 4.318 4.318 4.214 0.104 17992 5164 1 9 . 1 1 105 105 THR CA C 105 64.056 64.056 62.504 1.552 17992 5165 1 9 . 1 1 105 105 THR CB C 105 69.861 69.861 69.454 0.407 17992 5166 1 9 . 1 1 105 105 THR H H 105 8.186 8.186 8.431 -0.245 17992 5167 1 9 . 1 1 106 106 SER N N 106 116.165 116.165 114.322 1.843 17992 5168 1 9 . 1 1 106 106 SER HA H 106 4.344 4.344 4.469 -0.125 17992 5169 1 9 . 1 1 106 106 SER CA C 106 60.864 60.864 59.197 1.667 17992 5170 1 9 . 1 1 106 106 SER CB C 106 63.462 63.462 62.900 0.562 17992 5171 1 9 . 1 1 106 106 SER H H 106 8.200 8.200 8.619 -0.419 17992 5172 1 9 . 1 1 107 107 SER N N 107 116.732 116.732 116.553 0.179 17992 5173 1 9 . 1 1 107 107 SER HA H 107 4.413 4.413 4.438 -0.025 17992 5174 1 9 . 1 1 107 107 SER CA C 107 60.051 60.051 60.487 -0.436 17992 5175 1 9 . 1 1 107 107 SER CB C 107 63.921 63.921 63.644 0.277 17992 5176 1 9 . 1 1 107 107 SER H H 107 8.114 8.114 7.680 0.434 17992 5177 1 9 . 1 1 108 108 ALA N N 108 122.523 122.523 124.050 -1.527 17992 5178 1 9 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.340 0.094 17992 5179 1 9 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.378 -0.896 17992 5180 1 9 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.368 0.963 17992 5181 1 9 . 1 1 108 108 ALA H H 108 8.022 8.022 7.541 0.481 17992 5182 1 9 . 1 1 109 109 VAL N N 109 117.146 117.146 120.867 -3.721 17992 5183 1 9 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.871 -0.083 17992 5184 1 9 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.020 -1.185 17992 5185 1 9 . 1 1 109 109 VAL H H 109 7.829 7.829 7.635 0.194 17992 5186 1 9 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.333 0.147 17992 5187 1 9 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.261 0.184 17992 5188 1 9 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.270 0.109 17992 5189 1 9 . 1 1 111 111 LEU N N 111 117.393 117.393 118.492 -1.099 17992 5190 1 9 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.174 0.039 17992 5191 1 9 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.302 0.480 17992 5192 1 9 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.429 0.019 17992 5193 1 9 . 1 1 111 111 LEU H H 111 7.538 7.538 7.247 0.291 17992 5194 1 9 . 1 1 112 112 ILE N N 112 117.001 117.001 120.215 -3.214 17992 5195 1 9 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.018 -0.017 17992 5196 1 9 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.282 0.344 17992 5197 1 9 . 1 1 112 112 ILE H H 112 8.118 8.118 8.611 -0.493 17992 5198 1 9 . 1 1 113 113 GLY N N 113 106.840 106.840 106.281 0.559 17992 5199 1 9 . 1 1 113 113 GLY CA C 113 47.772 47.772 46.642 1.129 17992 5200 1 9 . 1 1 113 113 GLY H H 113 8.409 8.409 7.866 0.543 17992 5201 1 9 . 1 1 114 114 LYS N N 114 120.736 120.736 122.475 -1.739 17992 5202 1 9 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.047 0.073 17992 5203 1 9 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.707 0.431 17992 5204 1 9 . 1 1 114 114 LYS H H 114 7.847 7.847 7.580 0.267 17992 5205 1 9 . 1 1 115 115 TYR N N 115 117.055 117.055 117.802 -0.747 17992 5206 1 9 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.262 0.010 17992 5207 1 9 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.592 -0.162 17992 5208 1 9 . 1 1 115 115 TYR H H 115 7.891 7.891 7.289 0.602 17992 5209 1 9 . 1 1 116 116 MET H H 116 8.170 8.170 7.525 0.645 17992 5210 1 9 . 1 1 117 117 LEU N N 117 117.768 117.768 118.862 -1.094 17992 5211 1 9 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.096 -0.187 17992 5212 1 9 . 1 1 117 117 LEU CA C 117 58.594 58.594 56.599 1.995 17992 5213 1 9 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.505 -0.169 17992 5214 1 9 . 1 1 117 117 LEU H H 117 7.781 7.781 7.712 0.069 17992 5215 1 9 . 1 1 118 118 PHE N N 118 118.204 118.204 120.634 -2.430 17992 5216 1 9 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.181 0.247 17992 5217 1 9 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.293 -0.558 17992 5218 1 9 . 1 1 118 118 PHE H H 118 8.024 8.024 7.991 0.033 17992 5219 1 9 . 1 1 119 119 THR N N 119 114.941 114.941 113.741 1.200 17992 5220 1 9 . 1 1 119 119 THR HA H 119 3.972 3.972 4.273 -0.301 17992 5221 1 9 . 1 1 119 119 THR CA C 119 67.518 67.518 66.517 1.001 17992 5222 1 9 . 1 1 119 119 THR CB C 119 69.194 69.194 68.568 0.626 17992 5223 1 9 . 1 1 119 119 THR H H 119 8.171 8.171 7.858 0.313 17992 5224 1 9 . 1 1 120 120 LYS N N 120 121.758 121.758 122.008 -0.250 17992 5225 1 9 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.064 -0.084 17992 5226 1 9 . 1 1 120 120 LYS CA C 120 60.810 60.810 58.959 1.851 17992 5227 1 9 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.188 0.327 17992 5228 1 9 . 1 1 120 120 LYS H H 120 8.359 8.359 7.432 0.927 17992 5229 1 9 . 1 1 121 121 GLU N N 121 117.504 117.504 118.415 -0.911 17992 5230 1 9 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.032 0.182 17992 5231 1 9 . 1 1 121 121 GLU CA C 121 59.240 59.240 59.006 0.234 17992 5232 1 9 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.661 -1.278 17992 5233 1 9 . 1 1 121 121 GLU H H 121 8.222 8.222 8.013 0.209 17992 5234 1 9 . 1 1 122 122 PHE N N 122 121.586 121.586 120.593 0.993 17992 5235 1 9 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.140 0.154 17992 5236 1 9 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.188 1.387 17992 5237 1 9 . 1 1 122 122 PHE CB C 122 39.359 39.359 38.693 0.666 17992 5238 1 9 . 1 1 122 122 PHE H H 122 8.562 8.562 7.661 0.901 17992 5239 1 9 . 1 1 123 123 VAL N N 123 121.558 121.558 118.179 3.379 17992 5240 1 9 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.274 0.242 17992 5241 1 9 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.476 2.132 17992 5242 1 9 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.503 0.958 17992 5243 1 9 . 1 1 123 123 VAL H H 123 8.784 8.784 7.236 1.548 17992 5244 1 9 . 1 1 124 124 GLU N N 124 118.314 118.314 120.380 -2.066 17992 5245 1 9 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.985 0.057 17992 5246 1 9 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.137 1.070 17992 5247 1 9 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.180 -0.755 17992 5248 1 9 . 1 1 124 124 GLU H H 124 8.564 8.564 8.359 0.205 17992 5249 1 9 . 1 1 125 125 SER N N 125 114.779 114.779 115.318 -0.539 17992 5250 1 9 . 1 1 125 125 SER HA H 125 4.265 4.265 4.186 0.079 17992 5251 1 9 . 1 1 125 125 SER CA C 125 62.342 62.342 61.668 0.674 17992 5252 1 9 . 1 1 125 125 SER CB C 125 63.162 63.162 62.354 0.808 17992 5253 1 9 . 1 1 125 125 SER H H 125 8.348 8.348 8.240 0.108 17992 5254 1 9 . 1 1 126 126 SER N N 126 118.464 118.464 117.492 0.972 17992 5255 1 9 . 1 1 126 126 SER HA H 126 4.069 4.069 4.306 -0.237 17992 5256 1 9 . 1 1 126 126 SER CA C 126 62.846 62.846 62.538 0.307 17992 5257 1 9 . 1 1 126 126 SER H H 126 8.144 8.144 7.633 0.511 17992 5258 1 9 . 1 1 127 127 ILE N N 127 124.705 124.705 118.387 6.318 17992 5259 1 9 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.068 -0.387 17992 5260 1 9 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.543 2.098 17992 5261 1 9 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.485 0.549 17992 5262 1 9 . 1 1 127 127 ILE H H 127 8.280 8.280 7.843 0.437 17992 5263 1 9 . 1 1 128 128 LYS N N 128 119.907 119.907 120.980 -1.073 17992 5264 1 9 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.498 0.387 17992 5265 1 9 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.686 -0.438 17992 5266 1 9 . 1 1 128 128 LYS H H 128 7.741 7.741 7.731 0.010 17992 5267 1 9 . 1 1 129 129 ILE N N 129 118.807 118.807 119.643 -0.836 17992 5268 1 9 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.859 0.248 17992 5269 1 9 . 1 1 129 129 ILE CA C 129 64.392 64.392 65.167 -0.775 17992 5270 1 9 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.288 -0.238 17992 5271 1 9 . 1 1 129 129 ILE H H 129 8.215 8.215 8.153 0.062 17992 5272 1 9 . 1 1 130 130 THR N N 130 117.328 117.328 113.222 4.106 17992 5273 1 9 . 1 1 130 130 THR HA H 130 3.921 3.921 3.954 -0.033 17992 5274 1 9 . 1 1 130 130 THR CA C 130 68.210 68.210 65.944 2.266 17992 5275 1 9 . 1 1 130 130 THR H H 130 7.988 7.988 8.194 -0.206 17992 5276 1 9 . 1 1 131 131 GLU N N 131 118.968 118.968 121.532 -2.564 17992 5277 1 9 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.142 -0.164 17992 5278 1 9 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.730 0.869 17992 5279 1 9 . 1 1 131 131 GLU H H 131 8.439 8.439 7.605 0.834 17992 5280 1 9 . 1 1 132 132 GLU N N 132 118.712 118.712 118.568 0.144 17992 5281 1 9 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.313 -0.087 17992 5282 1 9 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.531 0.736 17992 5283 1 9 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.995 -1.376 17992 5284 1 9 . 1 1 132 132 GLU H H 132 7.987 7.987 7.960 0.027 17992 5285 1 9 . 1 1 133 133 VAL N N 133 120.060 120.060 120.860 -0.800 17992 5286 1 9 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.808 0.059 17992 5287 1 9 . 1 1 133 133 VAL CA C 133 66.330 66.330 65.598 0.732 17992 5288 1 9 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.132 0.024 17992 5289 1 9 . 1 1 133 133 VAL H H 133 8.341 8.341 7.645 0.696 17992 5290 1 9 . 1 1 134 134 ILE N N 134 119.699 119.699 116.244 3.455 17992 5291 1 9 . 1 1 134 134 ILE HA H 134 3.860 3.860 4.061 -0.201 17992 5292 1 9 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.338 1.846 17992 5293 1 9 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.361 0.541 17992 5294 1 9 . 1 1 134 134 ILE H H 134 8.331 8.331 7.457 0.874 17992 5295 1 9 . 1 1 135 135 ASN N N 135 117.396 117.396 118.355 -0.959 17992 5296 1 9 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.509 0.166 17992 5297 1 9 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.231 -0.726 17992 5298 1 9 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.367 0.759 17992 5299 1 9 . 1 1 135 135 ASN H H 135 8.318 8.318 8.187 0.131 17992 5300 1 9 . 1 1 136 136 THR N N 136 111.419 111.419 112.815 -1.396 17992 5301 1 9 . 1 1 136 136 THR HA H 136 4.308 4.308 4.482 -0.174 17992 5302 1 9 . 1 1 136 136 THR CA C 136 63.872 63.872 65.552 -1.680 17992 5303 1 9 . 1 1 136 136 THR CB C 136 69.779 69.779 69.346 0.433 17992 5304 1 9 . 1 1 136 136 THR H H 136 8.006 8.006 7.819 0.187 17992 5305 1 9 . 1 1 137 137 HIS N N 137 118.612 118.612 120.727 -2.115 17992 5306 1 9 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.381 0.322 17992 5307 1 9 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.474 -2.014 17992 5308 1 9 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.285 -1.573 17992 5309 1 9 . 1 1 137 137 HIS H H 137 8.013 8.013 7.760 0.253 17992 5310 1 9 . 1 1 138 138 HIS N N 138 118.709 118.709 117.193 1.516 17992 5311 1 9 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.432 0.394 17992 5312 1 9 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.202 -2.688 17992 5313 1 9 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.661 -1.415 17992 5314 1 9 . 1 1 138 138 HIS H H 138 8.169 8.169 8.812 -0.643 17992 5315 1 9 . 1 1 139 139 ARG N N 139 123.025 123.025 119.354 3.671 17992 5316 1 9 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.072 0.494 17992 5317 1 9 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.301 -1.907 17992 5318 1 9 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.714 0.307 17992 5319 1 9 . 1 1 139 139 ARG H H 139 8.419 8.419 8.091 0.328 17992 5320 1 10 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.880 -0.142 17992 5321 1 10 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.007 0.769 17992 5322 1 10 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.468 -1.124 17992 5323 1 10 . 1 1 8 8 HIS H H 8 8.686 8.686 8.323 0.363 17992 5324 1 10 . 1 1 9 9 ALA N N 9 124.079 124.079 126.026 -1.947 17992 5325 1 10 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.449 -0.062 17992 5326 1 10 . 1 1 9 9 ALA CA C 9 53.287 53.287 53.052 0.235 17992 5327 1 10 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.313 -1.138 17992 5328 1 10 . 1 1 9 9 ALA H H 9 8.457 8.457 8.612 -0.155 17992 5329 1 10 . 1 1 10 10 MET N N 10 120.430 120.430 118.780 1.650 17992 5330 1 10 . 1 1 10 10 MET HA H 10 4.390 4.390 4.395 -0.005 17992 5331 1 10 . 1 1 10 10 MET CA C 10 57.753 57.753 58.311 -0.558 17992 5332 1 10 . 1 1 10 10 MET CB C 10 32.355 32.355 32.619 -0.264 17992 5333 1 10 . 1 1 10 10 MET H H 10 8.545 8.545 8.203 0.342 17992 5334 1 10 . 1 1 11 11 VAL N N 11 119.159 119.159 113.781 5.378 17992 5335 1 10 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.104 -0.088 17992 5336 1 10 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.732 1.539 17992 5337 1 10 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.327 0.284 17992 5338 1 10 . 1 1 11 11 VAL H H 11 8.339 8.339 7.971 0.368 17992 5339 1 10 . 1 1 12 12 ILE N N 12 119.461 119.461 120.882 -1.421 17992 5340 1 10 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.107 -0.154 17992 5341 1 10 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.413 0.922 17992 5342 1 10 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.210 -0.714 17992 5343 1 10 . 1 1 12 12 ILE H H 12 7.705 7.705 7.919 -0.214 17992 5344 1 10 . 1 1 13 13 ASP N N 13 119.460 119.460 120.139 -0.679 17992 5345 1 10 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.649 -0.265 17992 5346 1 10 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.333 1.191 17992 5347 1 10 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.962 -1.550 17992 5348 1 10 . 1 1 13 13 ASP H H 13 8.172 8.172 7.787 0.385 17992 5349 1 10 . 1 1 14 14 HIS N N 14 116.421 116.421 117.361 -0.940 17992 5350 1 10 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.537 0.003 17992 5351 1 10 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.862 -0.114 17992 5352 1 10 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.679 -2.027 17992 5353 1 10 . 1 1 14 14 HIS H H 14 8.138 8.138 8.153 -0.015 17992 5354 1 10 . 1 1 15 15 ILE N N 15 119.970 119.970 119.666 0.304 17992 5355 1 10 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.894 -0.086 17992 5356 1 10 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.088 1.315 17992 5357 1 10 . 1 1 15 15 ILE CB C 15 37.787 37.787 36.826 0.961 17992 5358 1 10 . 1 1 15 15 ILE H H 15 8.224 8.224 7.485 0.739 17992 5359 1 10 . 1 1 16 16 LEU N N 16 118.635 118.635 122.001 -3.366 17992 5360 1 10 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.675 0.317 17992 5361 1 10 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.445 0.341 17992 5362 1 10 . 1 1 16 16 LEU H H 16 8.480 8.480 8.327 0.153 17992 5363 1 10 . 1 1 17 17 LYS N N 17 118.257 118.257 117.655 0.602 17992 5364 1 10 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.049 0.045 17992 5365 1 10 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.225 0.657 17992 5366 1 10 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.830 0.386 17992 5367 1 10 . 1 1 17 17 LYS H H 17 8.098 8.098 7.891 0.207 17992 5368 1 10 . 1 1 18 18 CYS N N 18 117.220 117.220 118.719 -1.499 17992 5369 1 10 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.313 0.016 17992 5370 1 10 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.189 1.029 17992 5371 1 10 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.351 -0.529 17992 5372 1 10 . 1 1 18 18 CYS H H 18 7.899 7.899 7.783 0.116 17992 5373 1 10 . 1 1 19 19 VAL N N 19 118.929 118.929 119.346 -0.417 17992 5374 1 10 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.965 -0.240 17992 5375 1 10 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.457 2.623 17992 5376 1 10 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.563 0.494 17992 5377 1 10 . 1 1 19 19 VAL H H 19 8.352 8.352 8.011 0.341 17992 5378 1 10 . 1 1 20 20 PHE N N 20 120.244 120.244 120.059 0.185 17992 5379 1 10 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.310 -0.036 17992 5380 1 10 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.804 0.822 17992 5381 1 10 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.271 -0.191 17992 5382 1 10 . 1 1 20 20 PHE H H 20 8.791 8.791 8.787 0.004 17992 5383 1 10 . 1 1 21 21 ASP N N 21 118.761 118.761 120.463 -1.702 17992 5384 1 10 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.401 -0.038 17992 5385 1 10 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.460 0.057 17992 5386 1 10 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.912 -0.844 17992 5387 1 10 . 1 1 21 21 ASP H H 21 8.705 8.705 7.906 0.799 17992 5388 1 10 . 1 1 22 22 LYS N N 22 118.200 118.200 119.576 -1.376 17992 5389 1 10 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.051 0.143 17992 5390 1 10 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.434 -0.841 17992 5391 1 10 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.470 -0.171 17992 5392 1 10 . 1 1 22 22 LYS H H 22 7.810 7.810 7.607 0.203 17992 5393 1 10 . 1 1 23 23 ILE N N 23 118.534 118.534 118.904 -0.370 17992 5394 1 10 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.337 0.444 17992 5395 1 10 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.665 0.431 17992 5396 1 10 . 1 1 23 23 ILE H H 23 8.351 8.351 7.505 0.846 17992 5397 1 10 . 1 1 24 24 CYS N N 24 117.155 117.155 116.470 0.685 17992 5398 1 10 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.166 -0.117 17992 5399 1 10 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.278 1.221 17992 5400 1 10 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.567 -0.941 17992 5401 1 10 . 1 1 24 24 CYS H H 24 8.203 8.203 7.728 0.475 17992 5402 1 10 . 1 1 25 25 LYS N N 25 119.995 119.995 119.494 0.501 17992 5403 1 10 . 1 1 25 25 LYS CA C 25 58.762 58.762 58.497 0.265 17992 5404 1 10 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.336 0.049 17992 5405 1 10 . 1 1 25 25 LYS H H 25 7.760 7.760 7.281 0.479 17992 5406 1 10 . 1 1 26 26 ILE N N 26 119.168 119.168 119.414 -0.246 17992 5407 1 10 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.851 0.123 17992 5408 1 10 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.242 0.864 17992 5409 1 10 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.593 -0.037 17992 5410 1 10 . 1 1 26 26 ILE H H 26 8.055 8.055 8.632 -0.577 17992 5411 1 10 . 1 1 27 27 GLY N N 27 108.257 108.257 104.856 3.401 17992 5412 1 10 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.402 0.587 17992 5413 1 10 . 1 1 27 27 GLY H H 27 8.568 8.568 7.661 0.907 17992 5414 1 10 . 1 1 28 28 THR N N 28 112.727 112.727 114.541 -1.814 17992 5415 1 10 . 1 1 28 28 THR HA H 28 3.912 3.912 4.405 -0.493 17992 5416 1 10 . 1 1 28 28 THR CA C 28 64.717 64.717 63.639 1.079 17992 5417 1 10 . 1 1 28 28 THR CB C 28 69.375 69.375 69.363 0.012 17992 5418 1 10 . 1 1 28 28 THR H H 28 8.059 8.059 7.779 0.280 17992 5419 1 10 . 1 1 29 29 GLU N N 29 120.068 120.068 121.879 -1.811 17992 5420 1 10 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.229 -1.625 17992 5421 1 10 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.718 -0.625 17992 5422 1 10 . 1 1 29 29 GLU H H 29 8.113 8.113 7.890 0.223 17992 5423 1 10 . 1 1 30 30 SER N N 30 114.882 114.882 116.699 -1.817 17992 5424 1 10 . 1 1 30 30 SER HA H 30 4.374 4.374 4.215 0.159 17992 5425 1 10 . 1 1 30 30 SER CA C 30 60.353 60.353 61.531 -1.177 17992 5426 1 10 . 1 1 30 30 SER H H 30 8.060 8.060 7.841 0.219 17992 5427 1 10 . 1 1 31 31 VAL N N 31 122.098 122.098 120.451 1.647 17992 5428 1 10 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.158 0.859 17992 5429 1 10 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.301 -0.674 17992 5430 1 10 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.207 0.778 17992 5431 1 10 . 1 1 31 31 VAL H H 31 8.127 8.127 7.935 0.192 17992 5432 1 10 . 1 1 32 32 GLU N N 32 120.280 120.280 119.504 0.776 17992 5433 1 10 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.095 0.223 17992 5434 1 10 . 1 1 32 32 GLU CA C 32 57.887 57.887 58.934 -1.047 17992 5435 1 10 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.457 -0.804 17992 5436 1 10 . 1 1 32 32 GLU H H 32 8.243 8.243 7.756 0.487 17992 5437 1 10 . 1 1 33 33 ALA N N 33 121.715 121.715 121.926 -0.211 17992 5438 1 10 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.926 0.263 17992 5439 1 10 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.420 0.304 17992 5440 1 10 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.119 0.609 17992 5441 1 10 . 1 1 33 33 ALA H H 33 8.218 8.218 7.623 0.595 17992 5442 1 10 . 1 1 34 34 GLY N N 34 104.656 104.656 105.474 -0.818 17992 5443 1 10 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.613 0.461 17992 5444 1 10 . 1 1 34 34 GLY H H 34 8.308 8.308 7.965 0.343 17992 5445 1 10 . 1 1 35 35 ARG N N 35 119.958 119.958 120.261 -0.303 17992 5446 1 10 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.298 -0.022 17992 5447 1 10 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.983 2.042 17992 5448 1 10 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.602 0.687 17992 5449 1 10 . 1 1 35 35 ARG H H 35 7.975 7.975 7.573 0.402 17992 5450 1 10 . 1 1 36 36 LEU N N 36 118.931 118.931 121.515 -2.584 17992 5451 1 10 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.105 0.119 17992 5452 1 10 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.159 -0.356 17992 5453 1 10 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.961 0.232 17992 5454 1 10 . 1 1 36 36 LEU H H 36 7.958 7.958 8.250 -0.292 17992 5455 1 10 . 1 1 37 37 ILE N N 37 118.087 118.087 118.929 -0.842 17992 5456 1 10 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.644 0.287 17992 5457 1 10 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.560 0.299 17992 5458 1 10 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.394 0.645 17992 5459 1 10 . 1 1 37 37 ILE H H 37 7.904 7.904 8.000 -0.096 17992 5460 1 10 . 1 1 38 38 GLU N N 38 120.989 120.989 119.649 1.340 17992 5461 1 10 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.948 0.283 17992 5462 1 10 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.620 -1.175 17992 5463 1 10 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.377 -0.366 17992 5464 1 10 . 1 1 38 38 GLU H H 38 8.041 8.041 7.533 0.508 17992 5465 1 10 . 1 1 39 39 LEU N N 39 120.111 120.111 119.149 0.962 17992 5466 1 10 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.073 0.198 17992 5467 1 10 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.347 0.064 17992 5468 1 10 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.379 0.916 17992 5469 1 10 . 1 1 39 39 LEU H H 39 8.173 8.173 7.704 0.469 17992 5470 1 10 . 1 1 40 40 SER N N 40 113.806 113.806 112.632 1.174 17992 5471 1 10 . 1 1 40 40 SER HA H 40 4.312 4.312 4.178 0.134 17992 5472 1 10 . 1 1 40 40 SER CA C 40 60.406 60.406 60.918 -0.512 17992 5473 1 10 . 1 1 40 40 SER CB C 40 63.646 63.646 63.225 0.421 17992 5474 1 10 . 1 1 40 40 SER H H 40 8.031 8.031 7.582 0.449 17992 5475 1 10 . 1 1 41 41 GLN N N 41 120.139 120.139 118.174 1.965 17992 5476 1 10 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.313 0.083 17992 5477 1 10 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.261 -0.660 17992 5478 1 10 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.739 -0.354 17992 5479 1 10 . 1 1 41 41 GLN H H 41 7.956 7.956 7.679 0.277 17992 5480 1 10 . 1 1 42 42 GLU N N 42 119.728 119.728 115.190 4.538 17992 5481 1 10 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.353 0.020 17992 5482 1 10 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.928 0.161 17992 5483 1 10 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.930 -2.575 17992 5484 1 10 . 1 1 42 42 GLU H H 42 8.114 8.114 8.533 -0.419 17992 5485 1 10 . 1 1 43 43 GLY N N 43 108.655 108.655 107.517 1.138 17992 5486 1 10 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.368 0.255 17992 5487 1 10 . 1 1 43 43 GLY H H 43 8.325 8.325 8.153 0.172 17992 5488 1 10 . 1 1 44 44 GLY N N 44 107.872 107.872 108.220 -0.348 17992 5489 1 10 . 1 1 44 44 GLY CA C 44 45.487 45.487 45.785 -0.298 17992 5490 1 10 . 1 1 44 44 GLY H H 44 8.105 8.105 7.724 0.381 17992 5491 1 10 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.933 1.462 17992 5492 1 10 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.495 -0.026 17992 5493 1 10 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.399 1.031 17992 5494 1 10 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.931 0.390 17992 5495 1 10 . 1 1 50 50 LEU N N 50 116.864 116.864 118.024 -1.160 17992 5496 1 10 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.221 -0.019 17992 5497 1 10 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.047 0.502 17992 5498 1 10 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.406 0.293 17992 5499 1 10 . 1 1 50 50 LEU H H 50 8.336 8.336 8.025 0.311 17992 5500 1 10 . 1 1 51 51 TYR N N 51 118.433 118.433 120.834 -2.401 17992 5501 1 10 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.193 -0.028 17992 5502 1 10 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.800 0.235 17992 5503 1 10 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.391 0.093 17992 5504 1 10 . 1 1 51 51 TYR H H 51 7.765 7.765 7.905 -0.140 17992 5505 1 10 . 1 1 52 52 PHE N N 52 117.945 117.945 119.882 -1.937 17992 5506 1 10 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.444 0.816 17992 5507 1 10 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.904 0.347 17992 5508 1 10 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.830 0.489 17992 5509 1 10 . 1 1 52 52 PHE H H 52 7.873 7.873 7.885 -0.012 17992 5510 1 10 . 1 1 53 53 VAL N N 53 117.468 117.468 118.226 -0.758 17992 5511 1 10 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.311 0.341 17992 5512 1 10 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.384 0.914 17992 5513 1 10 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.939 -0.129 17992 5514 1 10 . 1 1 53 53 VAL H H 53 7.864 7.864 7.395 0.469 17992 5515 1 10 . 1 1 54 54 VAL N N 54 116.929 116.929 120.364 -3.435 17992 5516 1 10 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.702 -0.000 17992 5517 1 10 . 1 1 54 54 VAL CA C 54 66.067 66.067 65.725 0.342 17992 5518 1 10 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.670 0.131 17992 5519 1 10 . 1 1 54 54 VAL H H 54 7.958 7.958 7.628 0.330 17992 5520 1 10 . 1 1 55 55 ASN N N 55 115.543 115.543 118.137 -2.594 17992 5521 1 10 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.528 0.102 17992 5522 1 10 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.588 -0.128 17992 5523 1 10 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.795 1.134 17992 5524 1 10 . 1 1 55 55 ASN H H 55 7.823 7.823 8.149 -0.326 17992 5525 1 10 . 1 1 56 56 VAL N N 56 116.125 116.125 117.416 -1.291 17992 5526 1 10 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.863 0.234 17992 5527 1 10 . 1 1 56 56 VAL CA C 56 64.139 64.139 63.578 0.561 17992 5528 1 10 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.515 -0.512 17992 5529 1 10 . 1 1 56 56 VAL H H 56 7.664 7.664 7.161 0.503 17992 5530 1 10 . 1 1 57 57 ILE N N 57 116.872 116.872 118.840 -1.968 17992 5531 1 10 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.934 0.075 17992 5532 1 10 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.539 1.011 17992 5533 1 10 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.043 0.720 17992 5534 1 10 . 1 1 57 57 ILE H H 57 7.587 7.587 7.587 -0.000 17992 5535 1 10 . 1 1 58 58 GLU N N 58 118.190 118.190 120.818 -2.628 17992 5536 1 10 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.126 0.073 17992 5537 1 10 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.832 -1.527 17992 5538 1 10 . 1 1 58 58 GLU H H 58 8.114 8.114 7.697 0.417 17992 5539 1 10 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.356 0.153 17992 5540 1 10 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.246 0.316 17992 5541 1 10 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.208 0.258 17992 5542 1 10 . 1 1 60 60 CYS N N 60 115.035 115.035 117.465 -2.430 17992 5543 1 10 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.109 0.159 17992 5544 1 10 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.542 -1.429 17992 5545 1 10 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.543 -0.553 17992 5546 1 10 . 1 1 60 60 CYS H H 60 7.913 7.913 7.680 0.233 17992 5547 1 10 . 1 1 61 61 LYS N N 61 121.184 121.184 120.528 0.656 17992 5548 1 10 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.941 0.331 17992 5549 1 10 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.212 -1.123 17992 5550 1 10 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.131 0.297 17992 5551 1 10 . 1 1 61 61 LYS H H 61 8.197 8.197 8.218 -0.021 17992 5552 1 10 . 1 1 62 62 LYS N N 62 118.253 118.253 117.499 0.754 17992 5553 1 10 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.104 -1.260 17992 5554 1 10 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.371 -0.281 17992 5555 1 10 . 1 1 62 62 LYS H H 62 7.982 7.982 7.616 0.366 17992 5556 1 10 . 1 1 63 63 PHE N N 63 118.763 118.763 117.802 0.961 17992 5557 1 10 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.462 -0.207 17992 5558 1 10 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.519 1.015 17992 5559 1 10 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.700 -0.550 17992 5560 1 10 . 1 1 63 63 PHE H H 63 8.155 8.155 7.592 0.563 17992 5561 1 10 . 1 1 64 64 SER N N 64 114.881 114.881 115.957 -1.076 17992 5562 1 10 . 1 1 64 64 SER HA H 64 4.268 4.268 4.176 0.092 17992 5563 1 10 . 1 1 64 64 SER CA C 64 61.588 61.588 62.119 -0.531 17992 5564 1 10 . 1 1 64 64 SER CB C 64 63.175 63.175 62.869 0.306 17992 5565 1 10 . 1 1 64 64 SER H H 64 8.218 8.218 8.099 0.119 17992 5566 1 10 . 1 1 65 65 GLU N N 65 120.937 120.937 118.482 2.455 17992 5567 1 10 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.141 0.143 17992 5568 1 10 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.181 0.029 17992 5569 1 10 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.642 -0.680 17992 5570 1 10 . 1 1 65 65 GLU H H 65 8.067 8.067 7.668 0.399 17992 5571 1 10 . 1 1 66 66 LEU N N 66 118.904 118.904 120.035 -1.131 17992 5572 1 10 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.071 0.192 17992 5573 1 10 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.245 -0.023 17992 5574 1 10 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.834 0.491 17992 5575 1 10 . 1 1 66 66 LEU H H 66 8.003 8.003 7.470 0.533 17992 5576 1 10 . 1 1 67 67 THR N N 67 108.190 108.190 111.979 -3.789 17992 5577 1 10 . 1 1 67 67 THR HA H 67 4.043 4.043 4.115 -0.072 17992 5578 1 10 . 1 1 67 67 THR CA C 67 64.579 64.579 64.338 0.241 17992 5579 1 10 . 1 1 67 67 THR CB C 67 69.410 69.410 68.221 1.189 17992 5580 1 10 . 1 1 67 67 THR H H 67 7.783 7.783 7.622 0.161 17992 5581 1 10 . 1 1 68 68 GLY N N 68 108.141 108.141 108.353 -0.212 17992 5582 1 10 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.538 0.706 17992 5583 1 10 . 1 1 68 68 GLY H H 68 7.964 7.964 7.408 0.556 17992 5584 1 10 . 1 1 69 69 LEU N N 69 120.124 120.124 120.755 -0.631 17992 5585 1 10 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.734 -0.382 17992 5586 1 10 . 1 1 69 69 LEU CA C 69 56.486 56.486 56.239 0.247 17992 5587 1 10 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.492 -0.117 17992 5588 1 10 . 1 1 69 69 LEU H H 69 7.749 7.749 7.600 0.149 17992 5589 1 10 . 1 1 70 70 VAL N N 70 115.546 115.546 118.747 -3.201 17992 5590 1 10 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.910 0.025 17992 5591 1 10 . 1 1 70 70 VAL CA C 70 63.630 63.630 65.037 -1.407 17992 5592 1 10 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.164 0.100 17992 5593 1 10 . 1 1 70 70 VAL H H 70 7.607 7.607 7.657 -0.050 17992 5594 1 10 . 1 1 71 71 PHE N N 71 119.035 119.035 115.143 3.892 17992 5595 1 10 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.507 0.051 17992 5596 1 10 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.219 -0.672 17992 5597 1 10 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.422 -0.122 17992 5598 1 10 . 1 1 71 71 PHE H H 71 7.618 7.618 7.923 -0.305 17992 5599 1 10 . 1 1 72 72 TYR N N 72 118.365 118.365 119.009 -0.644 17992 5600 1 10 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.514 0.065 17992 5601 1 10 . 1 1 72 72 TYR CA C 72 58.097 58.097 58.635 -0.538 17992 5602 1 10 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.536 -1.292 17992 5603 1 10 . 1 1 72 72 TYR H H 72 7.740 7.740 8.047 -0.307 17992 5604 1 10 . 1 1 73 73 LEU N N 73 121.184 121.184 118.834 2.350 17992 5605 1 10 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.607 -0.032 17992 5606 1 10 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.769 0.780 17992 5607 1 10 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.405 -1.324 17992 5608 1 10 . 1 1 73 73 LEU H H 73 7.713 7.713 7.401 0.312 17992 5609 1 10 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.507 0.131 17992 5610 1 10 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.802 0.402 17992 5611 1 10 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.304 -0.623 17992 5612 1 10 . 1 1 75 75 THR N N 75 113.231 113.231 117.570 -4.339 17992 5613 1 10 . 1 1 75 75 THR HA H 75 4.339 4.339 4.596 -0.257 17992 5614 1 10 . 1 1 75 75 THR CA C 75 62.684 62.684 61.702 0.982 17992 5615 1 10 . 1 1 75 75 THR H H 75 8.217 8.217 8.488 -0.271 17992 5616 1 10 . 1 1 76 76 ASP N N 76 120.892 120.892 119.562 1.330 17992 5617 1 10 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.666 0.124 17992 5618 1 10 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.807 0.431 17992 5619 1 10 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.704 -2.389 17992 5620 1 10 . 1 1 76 76 ASP H H 76 8.406 8.406 7.668 0.738 17992 5621 1 10 . 1 1 77 77 SER N N 77 115.861 115.861 115.985 -0.124 17992 5622 1 10 . 1 1 77 77 SER HA H 77 4.345 4.345 4.351 -0.006 17992 5623 1 10 . 1 1 77 77 SER CA C 77 60.528 60.528 59.454 1.074 17992 5624 1 10 . 1 1 77 77 SER CB C 77 63.812 63.812 63.545 0.267 17992 5625 1 10 . 1 1 77 77 SER H H 77 8.238 8.238 8.626 -0.388 17992 5626 1 10 . 1 1 78 78 GLY N N 78 110.440 110.440 107.428 3.012 17992 5627 1 10 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.110 1.543 17992 5628 1 10 . 1 1 78 78 GLY H H 78 8.570 8.570 7.747 0.823 17992 5629 1 10 . 1 1 79 79 GLU N N 79 121.242 121.242 121.315 -0.073 17992 5630 1 10 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.009 0.311 17992 5631 1 10 . 1 1 79 79 GLU CA C 79 58.018 58.018 60.468 -2.450 17992 5632 1 10 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.768 -0.686 17992 5633 1 10 . 1 1 79 79 GLU H H 79 8.237 8.237 8.460 -0.223 17992 5634 1 10 . 1 1 80 80 LYS N N 80 119.708 119.708 117.519 2.189 17992 5635 1 10 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.255 0.064 17992 5636 1 10 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.358 -0.477 17992 5637 1 10 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.947 0.799 17992 5638 1 10 . 1 1 80 80 LYS H H 80 8.252 8.252 8.545 -0.293 17992 5639 1 10 . 1 1 81 81 MET N N 81 119.849 119.849 117.931 1.918 17992 5640 1 10 . 1 1 81 81 MET HA H 81 4.367 4.367 4.267 0.100 17992 5641 1 10 . 1 1 81 81 MET CA C 81 57.845 57.845 59.400 -1.555 17992 5642 1 10 . 1 1 81 81 MET CB C 81 32.658 32.658 32.080 0.578 17992 5643 1 10 . 1 1 81 81 MET H H 81 8.419 8.419 7.941 0.478 17992 5644 1 10 . 1 1 82 82 THR N N 82 114.947 114.947 114.409 0.538 17992 5645 1 10 . 1 1 82 82 THR HA H 82 4.132 4.132 3.998 0.134 17992 5646 1 10 . 1 1 82 82 THR CA C 82 65.377 65.377 66.956 -1.579 17992 5647 1 10 . 1 1 82 82 THR CB C 82 69.035 69.035 68.797 0.238 17992 5648 1 10 . 1 1 82 82 THR H H 82 8.115 8.115 8.330 -0.215 17992 5649 1 10 . 1 1 83 83 GLU N N 83 121.416 121.416 119.383 2.033 17992 5650 1 10 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.157 0.216 17992 5651 1 10 . 1 1 83 83 GLU CA C 83 58.064 58.064 59.230 -1.166 17992 5652 1 10 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.473 -0.531 17992 5653 1 10 . 1 1 83 83 GLU H H 83 8.336 8.336 7.693 0.643 17992 5654 1 10 . 1 1 84 84 SER N N 84 115.783 115.783 114.032 1.751 17992 5655 1 10 . 1 1 84 84 SER HA H 84 4.278 4.278 4.404 -0.126 17992 5656 1 10 . 1 1 84 84 SER CA C 84 61.685 61.685 61.712 -0.027 17992 5657 1 10 . 1 1 84 84 SER H H 84 8.191 8.191 8.159 0.032 17992 5658 1 10 . 1 1 85 85 LYS N N 85 121.318 121.318 119.634 1.684 17992 5659 1 10 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.140 -0.055 17992 5660 1 10 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.973 0.815 17992 5661 1 10 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.314 0.116 17992 5662 1 10 . 1 1 85 85 LYS H H 85 8.113 8.113 7.471 0.642 17992 5663 1 10 . 1 1 86 86 SER N N 86 115.042 115.042 114.577 0.465 17992 5664 1 10 . 1 1 86 86 SER HA H 86 4.389 4.389 4.421 -0.032 17992 5665 1 10 . 1 1 86 86 SER CA C 86 61.437 61.437 60.048 1.389 17992 5666 1 10 . 1 1 86 86 SER CB C 86 63.116 63.116 63.007 0.110 17992 5667 1 10 . 1 1 86 86 SER H H 86 8.066 8.066 7.525 0.541 17992 5668 1 10 . 1 1 87 87 VAL N N 87 122.920 122.920 121.584 1.336 17992 5669 1 10 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.840 0.540 17992 5670 1 10 . 1 1 87 87 VAL CA C 87 66.123 66.123 66.099 0.024 17992 5671 1 10 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.599 -0.220 17992 5672 1 10 . 1 1 87 87 VAL H H 87 8.103 8.103 7.669 0.434 17992 5673 1 10 . 1 1 88 88 LEU N N 88 119.501 119.501 119.139 0.362 17992 5674 1 10 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.146 -0.024 17992 5675 1 10 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.232 0.674 17992 5676 1 10 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.748 0.196 17992 5677 1 10 . 1 1 88 88 LEU H H 88 8.146 8.146 7.509 0.637 17992 5678 1 10 . 1 1 89 89 LYS N N 89 120.285 120.285 118.921 1.364 17992 5679 1 10 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.096 -0.001 17992 5680 1 10 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.053 0.834 17992 5681 1 10 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.340 -0.114 17992 5682 1 10 . 1 1 89 89 LYS H H 89 8.245 8.245 7.598 0.647 17992 5683 1 10 . 1 1 90 90 SER N N 90 115.131 115.131 113.977 1.154 17992 5684 1 10 . 1 1 90 90 SER HA H 90 4.362 4.362 4.327 0.035 17992 5685 1 10 . 1 1 90 90 SER CA C 90 61.815 61.815 59.852 1.963 17992 5686 1 10 . 1 1 90 90 SER H H 90 8.037 8.037 7.883 0.154 17992 5687 1 10 . 1 1 91 91 LEU N N 91 120.855 120.855 121.828 -0.973 17992 5688 1 10 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.204 -0.056 17992 5689 1 10 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.512 0.901 17992 5690 1 10 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.675 0.500 17992 5691 1 10 . 1 1 91 91 LEU H H 91 8.445 8.445 7.359 1.086 17992 5692 1 10 . 1 1 92 92 THR N N 92 112.933 112.933 114.995 -2.062 17992 5693 1 10 . 1 1 92 92 THR HA H 92 3.904 3.904 3.859 0.045 17992 5694 1 10 . 1 1 92 92 THR CA C 92 67.390 67.390 67.269 0.120 17992 5695 1 10 . 1 1 92 92 THR CB C 92 69.367 69.367 68.576 0.791 17992 5696 1 10 . 1 1 92 92 THR H H 92 8.383 8.383 7.633 0.750 17992 5697 1 10 . 1 1 93 93 GLU N N 93 120.387 120.387 120.288 0.099 17992 5698 1 10 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.665 -0.178 17992 5699 1 10 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.565 -0.420 17992 5700 1 10 . 1 1 93 93 GLU H H 93 7.971 7.971 8.268 -0.297 17992 5701 1 10 . 1 1 94 94 LYS N N 94 118.470 118.470 118.442 0.028 17992 5702 1 10 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.237 -0.071 17992 5703 1 10 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.794 1.252 17992 5704 1 10 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.462 -0.115 17992 5705 1 10 . 1 1 94 94 LYS H H 94 7.804 7.804 7.738 0.066 17992 5706 1 10 . 1 1 95 95 LEU N N 95 118.397 118.397 119.777 -1.380 17992 5707 1 10 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.148 0.011 17992 5708 1 10 . 1 1 95 95 LEU CA C 95 57.877 57.877 57.074 0.803 17992 5709 1 10 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.041 -0.092 17992 5710 1 10 . 1 1 95 95 LEU H H 95 8.256 8.256 7.376 0.880 17992 5711 1 10 . 1 1 96 96 LYS N N 96 117.747 117.747 116.922 0.825 17992 5712 1 10 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.163 -0.223 17992 5713 1 10 . 1 1 96 96 LYS CA C 96 60.282 60.282 58.806 1.476 17992 5714 1 10 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.787 -0.438 17992 5715 1 10 . 1 1 96 96 LYS H H 96 8.105 8.105 8.144 -0.039 17992 5716 1 10 . 1 1 97 97 LYS N N 97 116.451 116.451 120.112 -3.661 17992 5717 1 10 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.204 -0.037 17992 5718 1 10 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.380 1.163 17992 5719 1 10 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.969 0.182 17992 5720 1 10 . 1 1 97 97 LYS H H 97 7.520 7.520 7.476 0.044 17992 5721 1 10 . 1 1 98 98 ILE N N 98 117.587 117.587 122.228 -4.641 17992 5722 1 10 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.784 0.146 17992 5723 1 10 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.925 0.374 17992 5724 1 10 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.065 -0.316 17992 5725 1 10 . 1 1 98 98 ILE H H 98 7.782 7.782 7.567 0.215 17992 5726 1 10 . 1 1 99 99 VAL N N 99 116.989 116.989 118.938 -1.949 17992 5727 1 10 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.669 0.156 17992 5728 1 10 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.030 0.933 17992 5729 1 10 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.527 -0.045 17992 5730 1 10 . 1 1 99 99 VAL H H 99 7.917 7.917 7.422 0.495 17992 5731 1 10 . 1 1 100 100 GLU N N 100 116.782 116.782 118.508 -1.726 17992 5732 1 10 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.186 0.027 17992 5733 1 10 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.714 0.260 17992 5734 1 10 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.359 -1.436 17992 5735 1 10 . 1 1 100 100 GLU H H 100 7.702 7.702 8.012 -0.310 17992 5736 1 10 . 1 1 101 101 LEU N N 101 118.218 118.218 120.417 -2.199 17992 5737 1 10 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.300 -0.145 17992 5738 1 10 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.907 -1.171 17992 5739 1 10 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.799 -0.760 17992 5740 1 10 . 1 1 101 101 LEU H H 101 7.751 7.751 7.745 0.006 17992 5741 1 10 . 1 1 102 102 ILE N N 102 119.412 119.412 117.184 2.228 17992 5742 1 10 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.390 -0.663 17992 5743 1 10 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.612 3.197 17992 5744 1 10 . 1 1 102 102 ILE H H 102 7.559 7.559 7.742 -0.183 17992 5745 1 10 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.647 -0.060 17992 5746 1 10 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.833 1.456 17992 5747 1 10 . 1 1 103 103 PRO CB C 103 31.886 31.886 32.425 -0.539 17992 5748 1 10 . 1 1 104 104 SER N N 104 112.794 112.794 117.088 -4.294 17992 5749 1 10 . 1 1 104 104 SER HA H 104 4.571 4.571 4.697 -0.126 17992 5750 1 10 . 1 1 104 104 SER CA C 104 59.286 59.286 57.129 2.157 17992 5751 1 10 . 1 1 104 104 SER CB C 104 63.849 63.849 64.453 -0.604 17992 5752 1 10 . 1 1 104 104 SER H H 104 8.100 8.100 8.074 0.026 17992 5753 1 10 . 1 1 105 105 THR N N 105 114.655 114.655 112.920 1.735 17992 5754 1 10 . 1 1 105 105 THR HA H 105 4.318 4.318 4.288 0.030 17992 5755 1 10 . 1 1 105 105 THR CA C 105 64.056 64.056 62.519 1.537 17992 5756 1 10 . 1 1 105 105 THR CB C 105 69.861 69.861 69.294 0.567 17992 5757 1 10 . 1 1 105 105 THR H H 105 8.186 8.186 8.155 0.031 17992 5758 1 10 . 1 1 106 106 SER N N 106 116.165 116.165 115.213 0.952 17992 5759 1 10 . 1 1 106 106 SER HA H 106 4.344 4.344 4.582 -0.238 17992 5760 1 10 . 1 1 106 106 SER CA C 106 60.864 60.864 58.796 2.068 17992 5761 1 10 . 1 1 106 106 SER CB C 106 63.462 63.462 62.932 0.530 17992 5762 1 10 . 1 1 106 106 SER H H 106 8.200 8.200 8.665 -0.465 17992 5763 1 10 . 1 1 107 107 SER N N 107 116.732 116.732 117.147 -0.415 17992 5764 1 10 . 1 1 107 107 SER HA H 107 4.413 4.413 4.432 -0.019 17992 5765 1 10 . 1 1 107 107 SER CA C 107 60.051 60.051 61.098 -1.047 17992 5766 1 10 . 1 1 107 107 SER CB C 107 63.921 63.921 63.663 0.258 17992 5767 1 10 . 1 1 107 107 SER H H 107 8.114 8.114 7.564 0.550 17992 5768 1 10 . 1 1 108 108 ALA N N 108 122.523 122.523 123.850 -1.327 17992 5769 1 10 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.303 0.131 17992 5770 1 10 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.459 -0.977 17992 5771 1 10 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.212 1.119 17992 5772 1 10 . 1 1 108 108 ALA H H 108 8.022 8.022 7.486 0.536 17992 5773 1 10 . 1 1 109 109 VAL N N 109 117.146 117.146 120.382 -3.236 17992 5774 1 10 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.831 -0.043 17992 5775 1 10 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.038 -1.203 17992 5776 1 10 . 1 1 109 109 VAL H H 109 7.829 7.829 8.274 -0.445 17992 5777 1 10 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.338 0.142 17992 5778 1 10 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.120 0.325 17992 5779 1 10 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.303 0.076 17992 5780 1 10 . 1 1 111 111 LEU N N 111 117.393 117.393 119.180 -1.787 17992 5781 1 10 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.279 -0.066 17992 5782 1 10 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.775 1.007 17992 5783 1 10 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.364 0.084 17992 5784 1 10 . 1 1 111 111 LEU H H 111 7.538 7.538 7.262 0.276 17992 5785 1 10 . 1 1 112 112 ILE N N 112 117.001 117.001 120.325 -3.324 17992 5786 1 10 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.880 0.121 17992 5787 1 10 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.639 -0.013 17992 5788 1 10 . 1 1 112 112 ILE H H 112 8.118 8.118 8.692 -0.574 17992 5789 1 10 . 1 1 113 113 GLY N N 113 106.840 106.840 107.421 -0.581 17992 5790 1 10 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.122 0.650 17992 5791 1 10 . 1 1 113 113 GLY H H 113 8.409 8.409 7.976 0.433 17992 5792 1 10 . 1 1 114 114 LYS N N 114 120.736 120.736 122.010 -1.274 17992 5793 1 10 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.074 0.046 17992 5794 1 10 . 1 1 114 114 LYS CA C 114 59.138 59.138 59.099 0.039 17992 5795 1 10 . 1 1 114 114 LYS H H 114 7.847 7.847 7.845 0.002 17992 5796 1 10 . 1 1 115 115 TYR N N 115 117.055 117.055 117.759 -0.704 17992 5797 1 10 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.335 -0.063 17992 5798 1 10 . 1 1 115 115 TYR CA C 115 60.430 60.430 61.015 -0.585 17992 5799 1 10 . 1 1 115 115 TYR H H 115 7.891 7.891 7.729 0.162 17992 5800 1 10 . 1 1 116 116 MET H H 116 8.170 8.170 8.366 -0.196 17992 5801 1 10 . 1 1 117 117 LEU N N 117 117.768 117.768 119.010 -1.242 17992 5802 1 10 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.059 -0.149 17992 5803 1 10 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.256 1.338 17992 5804 1 10 . 1 1 117 117 LEU CB C 117 41.336 41.336 42.035 -0.699 17992 5805 1 10 . 1 1 117 117 LEU H H 117 7.781 7.781 7.553 0.228 17992 5806 1 10 . 1 1 118 118 PHE N N 118 118.204 118.204 120.484 -2.280 17992 5807 1 10 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.069 0.359 17992 5808 1 10 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.455 -0.720 17992 5809 1 10 . 1 1 118 118 PHE H H 118 8.024 8.024 8.293 -0.269 17992 5810 1 10 . 1 1 119 119 THR N N 119 114.941 114.941 113.818 1.123 17992 5811 1 10 . 1 1 119 119 THR HA H 119 3.972 3.972 3.900 0.072 17992 5812 1 10 . 1 1 119 119 THR CA C 119 67.518 67.518 66.493 1.025 17992 5813 1 10 . 1 1 119 119 THR CB C 119 69.194 69.194 68.595 0.599 17992 5814 1 10 . 1 1 119 119 THR H H 119 8.171 8.171 7.872 0.299 17992 5815 1 10 . 1 1 120 120 LYS N N 120 121.758 121.758 120.879 0.879 17992 5816 1 10 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.044 -0.064 17992 5817 1 10 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.273 1.537 17992 5818 1 10 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.082 0.433 17992 5819 1 10 . 1 1 120 120 LYS H H 120 8.359 8.359 7.441 0.918 17992 5820 1 10 . 1 1 121 121 GLU N N 121 117.504 117.504 120.574 -3.070 17992 5821 1 10 . 1 1 121 121 GLU HA H 121 4.214 4.214 3.988 0.226 17992 5822 1 10 . 1 1 121 121 GLU CA C 121 59.240 59.240 59.207 0.033 17992 5823 1 10 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.597 -1.214 17992 5824 1 10 . 1 1 121 121 GLU H H 121 8.222 8.222 8.358 -0.136 17992 5825 1 10 . 1 1 122 122 PHE N N 122 121.586 121.586 119.973 1.613 17992 5826 1 10 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.084 0.210 17992 5827 1 10 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.254 0.320 17992 5828 1 10 . 1 1 122 122 PHE CB C 122 39.359 39.359 38.835 0.524 17992 5829 1 10 . 1 1 122 122 PHE H H 122 8.562 8.562 7.732 0.830 17992 5830 1 10 . 1 1 123 123 VAL N N 123 121.558 121.558 118.404 3.154 17992 5831 1 10 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.472 0.044 17992 5832 1 10 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.780 1.828 17992 5833 1 10 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.148 0.313 17992 5834 1 10 . 1 1 123 123 VAL H H 123 8.784 8.784 7.414 1.370 17992 5835 1 10 . 1 1 124 124 GLU N N 124 118.314 118.314 120.196 -1.882 17992 5836 1 10 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.054 -0.012 17992 5837 1 10 . 1 1 124 124 GLU CA C 124 60.207 60.207 58.879 1.328 17992 5838 1 10 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.994 -0.569 17992 5839 1 10 . 1 1 124 124 GLU H H 124 8.564 8.564 8.250 0.314 17992 5840 1 10 . 1 1 125 125 SER N N 125 114.779 114.779 115.873 -1.094 17992 5841 1 10 . 1 1 125 125 SER HA H 125 4.265 4.265 4.038 0.227 17992 5842 1 10 . 1 1 125 125 SER CA C 125 62.342 62.342 62.219 0.123 17992 5843 1 10 . 1 1 125 125 SER CB C 125 63.162 63.162 62.758 0.404 17992 5844 1 10 . 1 1 125 125 SER H H 125 8.348 8.348 8.325 0.023 17992 5845 1 10 . 1 1 126 126 SER N N 126 118.464 118.464 118.141 0.323 17992 5846 1 10 . 1 1 126 126 SER HA H 126 4.069 4.069 4.484 -0.415 17992 5847 1 10 . 1 1 126 126 SER CA C 126 62.846 62.846 61.929 0.917 17992 5848 1 10 . 1 1 126 126 SER H H 126 8.144 8.144 7.808 0.336 17992 5849 1 10 . 1 1 127 127 ILE N N 127 124.705 124.705 118.004 6.701 17992 5850 1 10 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.207 -0.526 17992 5851 1 10 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.585 2.056 17992 5852 1 10 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.498 0.536 17992 5853 1 10 . 1 1 127 127 ILE H H 127 8.280 8.280 7.729 0.551 17992 5854 1 10 . 1 1 128 128 LYS N N 128 119.907 119.907 121.848 -1.941 17992 5855 1 10 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.374 0.511 17992 5856 1 10 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.617 -0.369 17992 5857 1 10 . 1 1 128 128 LYS H H 128 7.741 7.741 7.878 -0.137 17992 5858 1 10 . 1 1 129 129 ILE N N 129 118.807 118.807 117.938 0.869 17992 5859 1 10 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.876 0.231 17992 5860 1 10 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.897 -0.505 17992 5861 1 10 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.216 -0.166 17992 5862 1 10 . 1 1 129 129 ILE H H 129 8.215 8.215 8.618 -0.403 17992 5863 1 10 . 1 1 130 130 THR N N 130 117.328 117.328 112.702 4.626 17992 5864 1 10 . 1 1 130 130 THR HA H 130 3.921 3.921 3.949 -0.028 17992 5865 1 10 . 1 1 130 130 THR CA C 130 68.210 68.210 64.956 3.255 17992 5866 1 10 . 1 1 130 130 THR H H 130 7.988 7.988 7.834 0.154 17992 5867 1 10 . 1 1 131 131 GLU N N 131 118.968 118.968 121.722 -2.754 17992 5868 1 10 . 1 1 131 131 GLU HA H 131 3.978 3.978 3.982 -0.004 17992 5869 1 10 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.258 0.342 17992 5870 1 10 . 1 1 131 131 GLU H H 131 8.439 8.439 7.888 0.551 17992 5871 1 10 . 1 1 132 132 GLU N N 132 118.712 118.712 117.831 0.881 17992 5872 1 10 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.167 0.059 17992 5873 1 10 . 1 1 132 132 GLU CA C 132 59.267 59.267 57.898 1.369 17992 5874 1 10 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.917 -1.298 17992 5875 1 10 . 1 1 132 132 GLU H H 132 7.987 7.987 7.536 0.451 17992 5876 1 10 . 1 1 133 133 VAL N N 133 120.060 120.060 118.502 1.558 17992 5877 1 10 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.801 0.066 17992 5878 1 10 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.370 1.960 17992 5879 1 10 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.353 -0.197 17992 5880 1 10 . 1 1 133 133 VAL H H 133 8.341 8.341 7.693 0.648 17992 5881 1 10 . 1 1 134 134 ILE N N 134 119.699 119.699 120.290 -0.591 17992 5882 1 10 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.957 -0.097 17992 5883 1 10 . 1 1 134 134 ILE CA C 134 65.184 65.184 61.746 3.438 17992 5884 1 10 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.783 0.118 17992 5885 1 10 . 1 1 134 134 ILE H H 134 8.331 8.331 7.697 0.634 17992 5886 1 10 . 1 1 135 135 ASN N N 135 117.396 117.396 116.758 0.638 17992 5887 1 10 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.648 0.027 17992 5888 1 10 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.822 -0.317 17992 5889 1 10 . 1 1 135 135 ASN CB C 135 39.127 39.127 39.049 0.078 17992 5890 1 10 . 1 1 135 135 ASN H H 135 8.318 8.318 8.084 0.234 17992 5891 1 10 . 1 1 136 136 THR N N 136 111.419 111.419 114.245 -2.826 17992 5892 1 10 . 1 1 136 136 THR HA H 136 4.308 4.308 4.337 -0.029 17992 5893 1 10 . 1 1 136 136 THR CA C 136 63.872 63.872 66.191 -2.318 17992 5894 1 10 . 1 1 136 136 THR CB C 136 69.779 69.779 69.184 0.595 17992 5895 1 10 . 1 1 136 136 THR H H 136 8.006 8.006 7.484 0.522 17992 5896 1 10 . 1 1 137 137 HIS N N 137 118.612 118.612 121.207 -2.595 17992 5897 1 10 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.573 0.130 17992 5898 1 10 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.328 -2.868 17992 5899 1 10 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.923 -1.211 17992 5900 1 10 . 1 1 137 137 HIS H H 137 8.013 8.013 8.267 -0.254 17992 5901 1 10 . 1 1 138 138 HIS N N 138 118.709 118.709 117.063 1.646 17992 5902 1 10 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.298 0.528 17992 5903 1 10 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.792 -2.278 17992 5904 1 10 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.384 -1.137 17992 5905 1 10 . 1 1 138 138 HIS H H 138 8.169 8.169 7.963 0.206 17992 5906 1 10 . 1 1 139 139 ARG N N 139 123.025 123.025 119.218 3.807 17992 5907 1 10 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.989 0.577 17992 5908 1 10 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.274 -1.880 17992 5909 1 10 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.633 0.388 17992 5910 1 10 . 1 1 139 139 ARG H H 139 8.419 8.419 8.303 0.116 17992 5911 1 11 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.826 -0.088 17992 5912 1 11 . 1 1 8 8 HIS CA C 8 55.776 55.776 54.937 0.839 17992 5913 1 11 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.428 -1.085 17992 5914 1 11 . 1 1 8 8 HIS H H 8 8.686 8.686 7.710 0.976 17992 5915 1 11 . 1 1 9 9 ALA N N 9 124.079 124.079 126.927 -2.848 17992 5916 1 11 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.454 -0.067 17992 5917 1 11 . 1 1 9 9 ALA CA C 9 53.287 53.287 53.226 0.061 17992 5918 1 11 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.346 -1.171 17992 5919 1 11 . 1 1 9 9 ALA H H 9 8.457 8.457 8.684 -0.227 17992 5920 1 11 . 1 1 10 10 MET N N 10 120.430 120.430 119.620 0.810 17992 5921 1 11 . 1 1 10 10 MET HA H 10 4.390 4.390 4.246 0.144 17992 5922 1 11 . 1 1 10 10 MET CA C 10 57.753 57.753 58.312 -0.559 17992 5923 1 11 . 1 1 10 10 MET CB C 10 32.355 32.355 33.072 -0.717 17992 5924 1 11 . 1 1 10 10 MET H H 10 8.545 8.545 8.443 0.102 17992 5925 1 11 . 1 1 11 11 VAL N N 11 119.159 119.159 117.321 1.838 17992 5926 1 11 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.933 0.083 17992 5927 1 11 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.741 0.530 17992 5928 1 11 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.702 -0.091 17992 5929 1 11 . 1 1 11 11 VAL H H 11 8.339 8.339 7.871 0.468 17992 5930 1 11 . 1 1 12 12 ILE N N 12 119.461 119.461 119.713 -0.252 17992 5931 1 11 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.146 -0.193 17992 5932 1 11 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.663 0.671 17992 5933 1 11 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.324 -0.828 17992 5934 1 11 . 1 1 12 12 ILE H H 12 7.705 7.705 7.903 -0.198 17992 5935 1 11 . 1 1 13 13 ASP N N 13 119.460 119.460 119.698 -0.238 17992 5936 1 11 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.586 -0.202 17992 5937 1 11 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.011 1.513 17992 5938 1 11 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.940 -1.528 17992 5939 1 11 . 1 1 13 13 ASP H H 13 8.172 8.172 7.842 0.330 17992 5940 1 11 . 1 1 14 14 HIS N N 14 116.421 116.421 117.564 -1.143 17992 5941 1 11 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.479 0.061 17992 5942 1 11 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.797 -0.049 17992 5943 1 11 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.738 -2.086 17992 5944 1 11 . 1 1 14 14 HIS H H 14 8.138 8.138 7.925 0.213 17992 5945 1 11 . 1 1 15 15 ILE N N 15 119.970 119.970 119.815 0.155 17992 5946 1 11 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.794 0.014 17992 5947 1 11 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.523 0.881 17992 5948 1 11 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.841 -0.054 17992 5949 1 11 . 1 1 15 15 ILE H H 15 8.224 8.224 7.724 0.500 17992 5950 1 11 . 1 1 16 16 LEU N N 16 118.635 118.635 121.936 -3.301 17992 5951 1 11 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.268 0.724 17992 5952 1 11 . 1 1 16 16 LEU CA C 16 58.786 58.786 57.771 1.015 17992 5953 1 11 . 1 1 16 16 LEU H H 16 8.480 8.480 7.903 0.577 17992 5954 1 11 . 1 1 17 17 LYS N N 17 118.257 118.257 118.038 0.219 17992 5955 1 11 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.014 0.080 17992 5956 1 11 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.186 0.696 17992 5957 1 11 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.796 0.420 17992 5958 1 11 . 1 1 17 17 LYS H H 17 8.098 8.098 7.769 0.329 17992 5959 1 11 . 1 1 18 18 CYS N N 18 117.220 117.220 118.318 -1.098 17992 5960 1 11 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.240 0.089 17992 5961 1 11 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.339 0.879 17992 5962 1 11 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.239 -0.417 17992 5963 1 11 . 1 1 18 18 CYS H H 18 7.899 7.899 8.084 -0.185 17992 5964 1 11 . 1 1 19 19 VAL N N 19 118.929 118.929 119.765 -0.836 17992 5965 1 11 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.940 -0.215 17992 5966 1 11 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.247 1.833 17992 5967 1 11 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.136 -0.079 17992 5968 1 11 . 1 1 19 19 VAL H H 19 8.352 8.352 7.408 0.944 17992 5969 1 11 . 1 1 20 20 PHE N N 20 120.244 120.244 119.767 0.477 17992 5970 1 11 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.307 -0.033 17992 5971 1 11 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.589 1.037 17992 5972 1 11 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.425 -0.345 17992 5973 1 11 . 1 1 20 20 PHE H H 20 8.791 8.791 8.740 0.051 17992 5974 1 11 . 1 1 21 21 ASP N N 21 118.761 118.761 120.428 -1.667 17992 5975 1 11 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.371 -0.008 17992 5976 1 11 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.512 0.005 17992 5977 1 11 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.812 -0.744 17992 5978 1 11 . 1 1 21 21 ASP H H 21 8.705 8.705 7.880 0.825 17992 5979 1 11 . 1 1 22 22 LYS N N 22 118.200 118.200 119.568 -1.368 17992 5980 1 11 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.087 0.107 17992 5981 1 11 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.236 -0.643 17992 5982 1 11 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.488 -0.189 17992 5983 1 11 . 1 1 22 22 LYS H H 22 7.810 7.810 7.586 0.224 17992 5984 1 11 . 1 1 23 23 ILE N N 23 118.534 118.534 118.848 -0.314 17992 5985 1 11 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.279 0.502 17992 5986 1 11 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.361 0.735 17992 5987 1 11 . 1 1 23 23 ILE H H 23 8.351 8.351 7.400 0.951 17992 5988 1 11 . 1 1 24 24 CYS N N 24 117.155 117.155 116.435 0.720 17992 5989 1 11 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.052 -0.003 17992 5990 1 11 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.468 1.031 17992 5991 1 11 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.827 -1.201 17992 5992 1 11 . 1 1 24 24 CYS H H 24 8.203 8.203 7.424 0.779 17992 5993 1 11 . 1 1 25 25 LYS N N 25 119.995 119.995 121.571 -1.576 17992 5994 1 11 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.584 -0.822 17992 5995 1 11 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.334 0.051 17992 5996 1 11 . 1 1 25 25 LYS H H 25 7.760 7.760 7.639 0.121 17992 5997 1 11 . 1 1 26 26 ILE N N 26 119.168 119.168 118.196 0.972 17992 5998 1 11 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.774 0.200 17992 5999 1 11 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.689 0.417 17992 6000 1 11 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.623 -0.067 17992 6001 1 11 . 1 1 26 26 ILE H H 26 8.055 8.055 8.256 -0.201 17992 6002 1 11 . 1 1 27 27 GLY N N 27 108.257 108.257 105.674 2.583 17992 6003 1 11 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.250 -0.261 17992 6004 1 11 . 1 1 27 27 GLY H H 27 8.568 8.568 7.596 0.972 17992 6005 1 11 . 1 1 28 28 THR N N 28 112.727 112.727 111.593 1.134 17992 6006 1 11 . 1 1 28 28 THR HA H 28 3.912 3.912 4.405 -0.493 17992 6007 1 11 . 1 1 28 28 THR CA C 28 64.717 64.717 63.951 0.766 17992 6008 1 11 . 1 1 28 28 THR CB C 28 69.375 69.375 69.346 0.029 17992 6009 1 11 . 1 1 28 28 THR H H 28 8.059 8.059 7.526 0.533 17992 6010 1 11 . 1 1 29 29 GLU N N 29 120.068 120.068 121.464 -1.396 17992 6011 1 11 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.248 -1.644 17992 6012 1 11 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.659 -0.566 17992 6013 1 11 . 1 1 29 29 GLU H H 29 8.113 8.113 7.998 0.115 17992 6014 1 11 . 1 1 30 30 SER N N 30 114.882 114.882 115.716 -0.834 17992 6015 1 11 . 1 1 30 30 SER HA H 30 4.374 4.374 4.221 0.153 17992 6016 1 11 . 1 1 30 30 SER CA C 30 60.353 60.353 61.420 -1.067 17992 6017 1 11 . 1 1 30 30 SER H H 30 8.060 8.060 7.928 0.132 17992 6018 1 11 . 1 1 31 31 VAL N N 31 122.098 122.098 119.847 2.251 17992 6019 1 11 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.418 0.599 17992 6020 1 11 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.145 -0.518 17992 6021 1 11 . 1 1 31 31 VAL CB C 31 31.985 31.985 30.991 0.994 17992 6022 1 11 . 1 1 31 31 VAL H H 31 8.127 8.127 7.985 0.142 17992 6023 1 11 . 1 1 32 32 GLU N N 32 120.280 120.280 119.970 0.310 17992 6024 1 11 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.000 0.318 17992 6025 1 11 . 1 1 32 32 GLU CA C 32 57.887 57.887 58.858 -0.971 17992 6026 1 11 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.267 -0.614 17992 6027 1 11 . 1 1 32 32 GLU H H 32 8.243 8.243 7.599 0.644 17992 6028 1 11 . 1 1 33 33 ALA N N 33 121.715 121.715 121.893 -0.178 17992 6029 1 11 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.955 0.234 17992 6030 1 11 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.198 0.526 17992 6031 1 11 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.079 0.649 17992 6032 1 11 . 1 1 33 33 ALA H H 33 8.218 8.218 7.726 0.492 17992 6033 1 11 . 1 1 34 34 GLY N N 34 104.656 104.656 105.541 -0.885 17992 6034 1 11 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.338 0.736 17992 6035 1 11 . 1 1 34 34 GLY H H 34 8.308 8.308 7.949 0.359 17992 6036 1 11 . 1 1 35 35 ARG N N 35 119.958 119.958 120.936 -0.978 17992 6037 1 11 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.213 0.063 17992 6038 1 11 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.522 1.503 17992 6039 1 11 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.755 0.534 17992 6040 1 11 . 1 1 35 35 ARG H H 35 7.975 7.975 7.323 0.652 17992 6041 1 11 . 1 1 36 36 LEU N N 36 118.931 118.931 121.241 -2.310 17992 6042 1 11 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.099 0.125 17992 6043 1 11 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.017 -0.214 17992 6044 1 11 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.873 0.320 17992 6045 1 11 . 1 1 36 36 LEU H H 36 7.958 7.958 8.580 -0.622 17992 6046 1 11 . 1 1 37 37 ILE N N 37 118.087 118.087 118.362 -0.275 17992 6047 1 11 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.674 0.257 17992 6048 1 11 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.678 0.181 17992 6049 1 11 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.550 0.490 17992 6050 1 11 . 1 1 37 37 ILE H H 37 7.904 7.904 7.625 0.279 17992 6051 1 11 . 1 1 38 38 GLU N N 38 120.989 120.989 120.112 0.877 17992 6052 1 11 . 1 1 38 38 GLU HA H 38 4.231 4.231 4.023 0.208 17992 6053 1 11 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.678 -1.233 17992 6054 1 11 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.615 -0.604 17992 6055 1 11 . 1 1 38 38 GLU H H 38 8.041 8.041 7.529 0.512 17992 6056 1 11 . 1 1 39 39 LEU N N 39 120.111 120.111 119.649 0.462 17992 6057 1 11 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.085 0.186 17992 6058 1 11 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.523 -0.112 17992 6059 1 11 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.310 0.985 17992 6060 1 11 . 1 1 39 39 LEU H H 39 8.173 8.173 7.829 0.344 17992 6061 1 11 . 1 1 40 40 SER N N 40 113.806 113.806 112.851 0.955 17992 6062 1 11 . 1 1 40 40 SER HA H 40 4.312 4.312 4.203 0.109 17992 6063 1 11 . 1 1 40 40 SER CA C 40 60.406 60.406 60.871 -0.465 17992 6064 1 11 . 1 1 40 40 SER CB C 40 63.646 63.646 63.126 0.520 17992 6065 1 11 . 1 1 40 40 SER H H 40 8.031 8.031 7.662 0.369 17992 6066 1 11 . 1 1 41 41 GLN N N 41 120.139 120.139 118.025 2.114 17992 6067 1 11 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.279 0.117 17992 6068 1 11 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.189 -0.588 17992 6069 1 11 . 1 1 41 41 GLN CB C 41 29.385 29.385 30.061 -0.676 17992 6070 1 11 . 1 1 41 41 GLN H H 41 7.956 7.956 7.776 0.180 17992 6071 1 11 . 1 1 42 42 GLU N N 42 119.728 119.728 116.139 3.589 17992 6072 1 11 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.333 0.040 17992 6073 1 11 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.854 0.235 17992 6074 1 11 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.280 -1.925 17992 6075 1 11 . 1 1 42 42 GLU H H 42 8.114 8.114 8.501 -0.387 17992 6076 1 11 . 1 1 43 43 GLY N N 43 108.655 108.655 107.614 1.041 17992 6077 1 11 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.353 0.270 17992 6078 1 11 . 1 1 43 43 GLY H H 43 8.325 8.325 8.140 0.185 17992 6079 1 11 . 1 1 44 44 GLY N N 44 107.872 107.872 107.241 0.631 17992 6080 1 11 . 1 1 44 44 GLY CA C 44 45.487 45.487 45.324 0.163 17992 6081 1 11 . 1 1 44 44 GLY H H 44 8.105 8.105 7.587 0.518 17992 6082 1 11 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.699 1.696 17992 6083 1 11 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.494 -0.025 17992 6084 1 11 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.371 1.059 17992 6085 1 11 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.868 0.453 17992 6086 1 11 . 1 1 50 50 LEU N N 50 116.864 116.864 118.023 -1.159 17992 6087 1 11 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.371 -0.169 17992 6088 1 11 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.277 2.272 17992 6089 1 11 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.092 1.607 17992 6090 1 11 . 1 1 50 50 LEU H H 50 8.336 8.336 8.112 0.224 17992 6091 1 11 . 1 1 51 51 TYR N N 51 118.433 118.433 120.357 -1.924 17992 6092 1 11 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.116 0.049 17992 6093 1 11 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.771 0.263 17992 6094 1 11 . 1 1 51 51 TYR CB C 51 38.484 38.484 37.798 0.686 17992 6095 1 11 . 1 1 51 51 TYR H H 51 7.765 7.765 7.865 -0.100 17992 6096 1 11 . 1 1 52 52 PHE N N 52 117.945 117.945 119.554 -1.609 17992 6097 1 11 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.305 0.955 17992 6098 1 11 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.437 -0.186 17992 6099 1 11 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.854 0.465 17992 6100 1 11 . 1 1 52 52 PHE H H 52 7.873 7.873 7.210 0.663 17992 6101 1 11 . 1 1 53 53 VAL N N 53 117.468 117.468 118.604 -1.136 17992 6102 1 11 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.677 -0.025 17992 6103 1 11 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.226 1.072 17992 6104 1 11 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.228 0.582 17992 6105 1 11 . 1 1 53 53 VAL H H 53 7.864 7.864 8.222 -0.358 17992 6106 1 11 . 1 1 54 54 VAL N N 54 116.929 116.929 120.801 -3.872 17992 6107 1 11 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.710 -0.008 17992 6108 1 11 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.392 -0.325 17992 6109 1 11 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.648 0.153 17992 6110 1 11 . 1 1 54 54 VAL H H 54 7.958 7.958 8.330 -0.372 17992 6111 1 11 . 1 1 55 55 ASN N N 55 115.543 115.543 116.747 -1.204 17992 6112 1 11 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.545 0.085 17992 6113 1 11 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.331 0.129 17992 6114 1 11 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.281 0.648 17992 6115 1 11 . 1 1 55 55 ASN H H 55 7.823 7.823 7.766 0.057 17992 6116 1 11 . 1 1 56 56 VAL N N 56 116.125 116.125 119.938 -3.813 17992 6117 1 11 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.764 0.333 17992 6118 1 11 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.275 -1.136 17992 6119 1 11 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.947 0.056 17992 6120 1 11 . 1 1 56 56 VAL H H 56 7.664 7.664 7.625 0.039 17992 6121 1 11 . 1 1 57 57 ILE N N 57 116.872 116.872 118.662 -1.790 17992 6122 1 11 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.746 0.263 17992 6123 1 11 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.926 0.624 17992 6124 1 11 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.720 1.043 17992 6125 1 11 . 1 1 57 57 ILE H H 57 7.587 7.587 8.194 -0.607 17992 6126 1 11 . 1 1 58 58 GLU N N 58 118.190 118.190 120.831 -2.641 17992 6127 1 11 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.088 0.111 17992 6128 1 11 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.947 -1.642 17992 6129 1 11 . 1 1 58 58 GLU H H 58 8.114 8.114 7.839 0.275 17992 6130 1 11 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.326 0.183 17992 6131 1 11 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.031 0.530 17992 6132 1 11 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.272 0.194 17992 6133 1 11 . 1 1 60 60 CYS N N 60 115.035 115.035 117.755 -2.720 17992 6134 1 11 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.054 0.214 17992 6135 1 11 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.812 -0.699 17992 6136 1 11 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.797 -0.807 17992 6137 1 11 . 1 1 60 60 CYS H H 60 7.913 7.913 7.489 0.424 17992 6138 1 11 . 1 1 61 61 LYS N N 61 121.184 121.184 120.256 0.928 17992 6139 1 11 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.903 0.369 17992 6140 1 11 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.926 -0.837 17992 6141 1 11 . 1 1 61 61 LYS CB C 61 32.428 32.428 31.962 0.466 17992 6142 1 11 . 1 1 61 61 LYS H H 61 8.197 8.197 8.104 0.093 17992 6143 1 11 . 1 1 62 62 LYS N N 62 118.253 118.253 117.650 0.603 17992 6144 1 11 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.611 -0.767 17992 6145 1 11 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.072 0.019 17992 6146 1 11 . 1 1 62 62 LYS H H 62 7.982 7.982 7.644 0.338 17992 6147 1 11 . 1 1 63 63 PHE N N 63 118.763 118.763 118.259 0.504 17992 6148 1 11 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.496 -0.241 17992 6149 1 11 . 1 1 63 63 PHE CA C 63 60.534 60.534 60.058 0.476 17992 6150 1 11 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.307 -0.157 17992 6151 1 11 . 1 1 63 63 PHE H H 63 8.155 8.155 7.572 0.583 17992 6152 1 11 . 1 1 64 64 SER N N 64 114.881 114.881 115.546 -0.665 17992 6153 1 11 . 1 1 64 64 SER HA H 64 4.268 4.268 4.146 0.122 17992 6154 1 11 . 1 1 64 64 SER CA C 64 61.588 61.588 62.092 -0.504 17992 6155 1 11 . 1 1 64 64 SER CB C 64 63.175 63.175 63.097 0.078 17992 6156 1 11 . 1 1 64 64 SER H H 64 8.218 8.218 8.065 0.153 17992 6157 1 11 . 1 1 65 65 GLU N N 65 120.937 120.937 120.251 0.686 17992 6158 1 11 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.117 0.167 17992 6159 1 11 . 1 1 65 65 GLU CA C 65 58.211 58.211 59.044 -0.833 17992 6160 1 11 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.749 -0.787 17992 6161 1 11 . 1 1 65 65 GLU H H 65 8.067 8.067 7.723 0.344 17992 6162 1 11 . 1 1 66 66 LEU N N 66 118.904 118.904 118.202 0.702 17992 6163 1 11 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.073 0.190 17992 6164 1 11 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.430 -0.208 17992 6165 1 11 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.268 1.057 17992 6166 1 11 . 1 1 66 66 LEU H H 66 8.003 8.003 7.242 0.761 17992 6167 1 11 . 1 1 67 67 THR N N 67 108.190 108.190 108.503 -0.313 17992 6168 1 11 . 1 1 67 67 THR HA H 67 4.043 4.043 4.280 -0.237 17992 6169 1 11 . 1 1 67 67 THR CA C 67 64.579 64.579 65.091 -0.512 17992 6170 1 11 . 1 1 67 67 THR CB C 67 69.410 69.410 68.404 1.006 17992 6171 1 11 . 1 1 67 67 THR H H 67 7.783 7.783 7.601 0.182 17992 6172 1 11 . 1 1 68 68 GLY N N 68 108.141 108.141 108.051 0.090 17992 6173 1 11 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.365 0.879 17992 6174 1 11 . 1 1 68 68 GLY H H 68 7.964 7.964 7.656 0.308 17992 6175 1 11 . 1 1 69 69 LEU N N 69 120.124 120.124 121.149 -1.025 17992 6176 1 11 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.625 -0.273 17992 6177 1 11 . 1 1 69 69 LEU CA C 69 56.486 56.486 56.013 0.473 17992 6178 1 11 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.623 -0.249 17992 6179 1 11 . 1 1 69 69 LEU H H 69 7.749 7.749 7.634 0.115 17992 6180 1 11 . 1 1 70 70 VAL N N 70 115.546 115.546 116.882 -1.336 17992 6181 1 11 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.965 -0.030 17992 6182 1 11 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.664 -1.034 17992 6183 1 11 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.421 -0.157 17992 6184 1 11 . 1 1 70 70 VAL H H 70 7.607 7.607 7.589 0.018 17992 6185 1 11 . 1 1 71 71 PHE N N 71 119.035 119.035 116.061 2.974 17992 6186 1 11 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.547 0.011 17992 6187 1 11 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.468 -0.921 17992 6188 1 11 . 1 1 71 71 PHE CB C 71 39.300 39.300 40.013 -0.713 17992 6189 1 11 . 1 1 71 71 PHE H H 71 7.618 7.618 7.873 -0.255 17992 6190 1 11 . 1 1 72 72 TYR N N 72 118.365 118.365 117.370 0.995 17992 6191 1 11 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.625 -0.046 17992 6192 1 11 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.329 -1.232 17992 6193 1 11 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.667 -1.423 17992 6194 1 11 . 1 1 72 72 TYR H H 72 7.740 7.740 7.961 -0.221 17992 6195 1 11 . 1 1 73 73 LEU N N 73 121.184 121.184 123.101 -1.917 17992 6196 1 11 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.808 -0.233 17992 6197 1 11 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.347 2.202 17992 6198 1 11 . 1 1 73 73 LEU CB C 73 42.081 42.081 42.663 -0.582 17992 6199 1 11 . 1 1 73 73 LEU H H 73 7.713 7.713 7.470 0.243 17992 6200 1 11 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.572 0.066 17992 6201 1 11 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.864 0.340 17992 6202 1 11 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.455 -0.774 17992 6203 1 11 . 1 1 75 75 THR N N 75 113.231 113.231 115.419 -2.188 17992 6204 1 11 . 1 1 75 75 THR HA H 75 4.339 4.339 4.464 -0.125 17992 6205 1 11 . 1 1 75 75 THR CA C 75 62.684 62.684 62.542 0.142 17992 6206 1 11 . 1 1 75 75 THR H H 75 8.217 8.217 8.185 0.032 17992 6207 1 11 . 1 1 76 76 ASP N N 76 120.892 120.892 118.142 2.750 17992 6208 1 11 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.713 0.077 17992 6209 1 11 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.514 0.725 17992 6210 1 11 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.048 -1.733 17992 6211 1 11 . 1 1 76 76 ASP H H 76 8.406 8.406 7.569 0.837 17992 6212 1 11 . 1 1 77 77 SER N N 77 115.861 115.861 113.977 1.884 17992 6213 1 11 . 1 1 77 77 SER HA H 77 4.345 4.345 4.256 0.089 17992 6214 1 11 . 1 1 77 77 SER CA C 77 60.528 60.528 59.805 0.723 17992 6215 1 11 . 1 1 77 77 SER CB C 77 63.812 63.812 63.579 0.233 17992 6216 1 11 . 1 1 77 77 SER H H 77 8.238 8.238 8.412 -0.174 17992 6217 1 11 . 1 1 78 78 GLY N N 78 110.440 110.440 105.650 4.790 17992 6218 1 11 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.077 1.576 17992 6219 1 11 . 1 1 78 78 GLY H H 78 8.570 8.570 7.770 0.800 17992 6220 1 11 . 1 1 79 79 GLU N N 79 121.242 121.242 121.662 -0.420 17992 6221 1 11 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.076 0.244 17992 6222 1 11 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.376 -1.358 17992 6223 1 11 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.793 -0.711 17992 6224 1 11 . 1 1 79 79 GLU H H 79 8.237 8.237 8.545 -0.308 17992 6225 1 11 . 1 1 80 80 LYS N N 80 119.708 119.708 118.783 0.925 17992 6226 1 11 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.105 0.214 17992 6227 1 11 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.810 -0.929 17992 6228 1 11 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.870 0.876 17992 6229 1 11 . 1 1 80 80 LYS H H 80 8.252 8.252 8.535 -0.283 17992 6230 1 11 . 1 1 81 81 MET N N 81 119.849 119.849 116.543 3.306 17992 6231 1 11 . 1 1 81 81 MET HA H 81 4.367 4.367 4.308 0.059 17992 6232 1 11 . 1 1 81 81 MET CA C 81 57.845 57.845 59.473 -1.628 17992 6233 1 11 . 1 1 81 81 MET CB C 81 32.658 32.658 32.215 0.443 17992 6234 1 11 . 1 1 81 81 MET H H 81 8.419 8.419 7.706 0.713 17992 6235 1 11 . 1 1 82 82 THR N N 82 114.947 114.947 114.087 0.860 17992 6236 1 11 . 1 1 82 82 THR HA H 82 4.132 4.132 4.004 0.128 17992 6237 1 11 . 1 1 82 82 THR CA C 82 65.377 65.377 66.461 -1.084 17992 6238 1 11 . 1 1 82 82 THR CB C 82 69.035 69.035 68.410 0.625 17992 6239 1 11 . 1 1 82 82 THR H H 82 8.115 8.115 8.091 0.024 17992 6240 1 11 . 1 1 83 83 GLU N N 83 121.416 121.416 119.148 2.268 17992 6241 1 11 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.216 0.157 17992 6242 1 11 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.331 -0.267 17992 6243 1 11 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.649 -0.707 17992 6244 1 11 . 1 1 83 83 GLU H H 83 8.336 8.336 7.702 0.634 17992 6245 1 11 . 1 1 84 84 SER N N 84 115.783 115.783 114.331 1.452 17992 6246 1 11 . 1 1 84 84 SER HA H 84 4.278 4.278 4.328 -0.050 17992 6247 1 11 . 1 1 84 84 SER CA C 84 61.685 61.685 60.246 1.439 17992 6248 1 11 . 1 1 84 84 SER H H 84 8.191 8.191 7.903 0.288 17992 6249 1 11 . 1 1 85 85 LYS N N 85 121.318 121.318 122.749 -1.431 17992 6250 1 11 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.268 -0.183 17992 6251 1 11 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.333 0.455 17992 6252 1 11 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.106 0.324 17992 6253 1 11 . 1 1 85 85 LYS H H 85 8.113 8.113 7.790 0.323 17992 6254 1 11 . 1 1 86 86 SER N N 86 115.042 115.042 114.430 0.612 17992 6255 1 11 . 1 1 86 86 SER HA H 86 4.389 4.389 4.289 0.100 17992 6256 1 11 . 1 1 86 86 SER CA C 86 61.437 61.437 60.819 0.618 17992 6257 1 11 . 1 1 86 86 SER CB C 86 63.116 63.116 62.859 0.257 17992 6258 1 11 . 1 1 86 86 SER H H 86 8.066 8.066 7.933 0.133 17992 6259 1 11 . 1 1 87 87 VAL N N 87 122.920 122.920 120.458 2.462 17992 6260 1 11 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.917 0.463 17992 6261 1 11 . 1 1 87 87 VAL CA C 87 66.123 66.123 64.963 1.160 17992 6262 1 11 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.689 -0.310 17992 6263 1 11 . 1 1 87 87 VAL H H 87 8.103 8.103 7.556 0.547 17992 6264 1 11 . 1 1 88 88 LEU N N 88 119.501 119.501 121.387 -1.886 17992 6265 1 11 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.030 0.092 17992 6266 1 11 . 1 1 88 88 LEU CA C 88 57.906 57.906 58.327 -0.421 17992 6267 1 11 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.728 0.216 17992 6268 1 11 . 1 1 88 88 LEU H H 88 8.146 8.146 7.869 0.277 17992 6269 1 11 . 1 1 89 89 LYS N N 89 120.285 120.285 117.947 2.338 17992 6270 1 11 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.121 -0.026 17992 6271 1 11 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.200 0.688 17992 6272 1 11 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.287 -0.061 17992 6273 1 11 . 1 1 89 89 LYS H H 89 8.245 8.245 7.549 0.696 17992 6274 1 11 . 1 1 90 90 SER N N 90 115.131 115.131 113.992 1.139 17992 6275 1 11 . 1 1 90 90 SER HA H 90 4.362 4.362 4.373 -0.011 17992 6276 1 11 . 1 1 90 90 SER CA C 90 61.815 61.815 60.243 1.571 17992 6277 1 11 . 1 1 90 90 SER H H 90 8.037 8.037 7.599 0.438 17992 6278 1 11 . 1 1 91 91 LEU N N 91 120.855 120.855 122.070 -1.215 17992 6279 1 11 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.269 -0.121 17992 6280 1 11 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.556 0.857 17992 6281 1 11 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.994 0.181 17992 6282 1 11 . 1 1 91 91 LEU H H 91 8.445 8.445 7.817 0.628 17992 6283 1 11 . 1 1 92 92 THR N N 92 112.933 112.933 115.407 -2.474 17992 6284 1 11 . 1 1 92 92 THR HA H 92 3.904 3.904 3.878 0.026 17992 6285 1 11 . 1 1 92 92 THR CA C 92 67.390 67.390 67.168 0.221 17992 6286 1 11 . 1 1 92 92 THR CB C 92 69.367 69.367 68.502 0.865 17992 6287 1 11 . 1 1 92 92 THR H H 92 8.383 8.383 7.680 0.703 17992 6288 1 11 . 1 1 93 93 GLU N N 93 120.387 120.387 120.304 0.083 17992 6289 1 11 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.267 0.220 17992 6290 1 11 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.565 -0.420 17992 6291 1 11 . 1 1 93 93 GLU H H 93 7.971 7.971 8.329 -0.358 17992 6292 1 11 . 1 1 94 94 LYS N N 94 118.470 118.470 117.343 1.127 17992 6293 1 11 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.194 -0.028 17992 6294 1 11 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.766 1.280 17992 6295 1 11 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.611 -0.264 17992 6296 1 11 . 1 1 94 94 LYS H H 94 7.804 7.804 7.926 -0.122 17992 6297 1 11 . 1 1 95 95 LEU N N 95 118.397 118.397 119.365 -0.968 17992 6298 1 11 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.168 -0.009 17992 6299 1 11 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.925 0.952 17992 6300 1 11 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.227 -0.278 17992 6301 1 11 . 1 1 95 95 LEU H H 95 8.256 8.256 7.800 0.456 17992 6302 1 11 . 1 1 96 96 LYS N N 96 117.747 117.747 118.404 -0.657 17992 6303 1 11 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.010 -0.070 17992 6304 1 11 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.384 0.898 17992 6305 1 11 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.933 0.416 17992 6306 1 11 . 1 1 96 96 LYS H H 96 8.105 8.105 8.677 -0.572 17992 6307 1 11 . 1 1 97 97 LYS N N 97 116.451 116.451 119.332 -2.881 17992 6308 1 11 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.265 -0.098 17992 6309 1 11 . 1 1 97 97 LYS CA C 97 58.543 58.543 56.260 2.283 17992 6310 1 11 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.865 0.286 17992 6311 1 11 . 1 1 97 97 LYS H H 97 7.520 7.520 7.623 -0.103 17992 6312 1 11 . 1 1 98 98 ILE N N 98 117.587 117.587 122.407 -4.820 17992 6313 1 11 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.776 0.154 17992 6314 1 11 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.949 0.350 17992 6315 1 11 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.047 -0.298 17992 6316 1 11 . 1 1 98 98 ILE H H 98 7.782 7.782 7.994 -0.212 17992 6317 1 11 . 1 1 99 99 VAL N N 99 116.989 116.989 120.035 -3.046 17992 6318 1 11 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.654 0.171 17992 6319 1 11 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.352 0.611 17992 6320 1 11 . 1 1 99 99 VAL CB C 99 31.482 31.482 30.832 0.650 17992 6321 1 11 . 1 1 99 99 VAL H H 99 7.917 7.917 7.490 0.427 17992 6322 1 11 . 1 1 100 100 GLU N N 100 116.782 116.782 119.042 -2.260 17992 6323 1 11 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.280 -0.067 17992 6324 1 11 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.627 0.347 17992 6325 1 11 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.227 -1.304 17992 6326 1 11 . 1 1 100 100 GLU H H 100 7.702 7.702 8.210 -0.508 17992 6327 1 11 . 1 1 101 101 LEU N N 101 118.218 118.218 119.150 -0.932 17992 6328 1 11 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.495 -0.340 17992 6329 1 11 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.049 -0.313 17992 6330 1 11 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.511 -1.472 17992 6331 1 11 . 1 1 101 101 LEU H H 101 7.751 7.751 7.789 -0.038 17992 6332 1 11 . 1 1 102 102 ILE N N 102 119.412 119.412 118.119 1.293 17992 6333 1 11 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.485 -0.758 17992 6334 1 11 . 1 1 102 102 ILE CA C 102 61.809 61.809 56.443 5.366 17992 6335 1 11 . 1 1 102 102 ILE H H 102 7.559 7.559 7.848 -0.289 17992 6336 1 11 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.490 0.097 17992 6337 1 11 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.881 1.408 17992 6338 1 11 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.997 -0.111 17992 6339 1 11 . 1 1 104 104 SER N N 104 112.794 112.794 119.028 -6.234 17992 6340 1 11 . 1 1 104 104 SER HA H 104 4.571 4.571 4.731 -0.160 17992 6341 1 11 . 1 1 104 104 SER CA C 104 59.286 59.286 56.739 2.547 17992 6342 1 11 . 1 1 104 104 SER CB C 104 63.849 63.849 64.968 -1.119 17992 6343 1 11 . 1 1 104 104 SER H H 104 8.100 8.100 8.454 -0.354 17992 6344 1 11 . 1 1 105 105 THR N N 105 114.655 114.655 114.391 0.264 17992 6345 1 11 . 1 1 105 105 THR HA H 105 4.318 4.318 4.332 -0.014 17992 6346 1 11 . 1 1 105 105 THR CA C 105 64.056 64.056 62.748 1.308 17992 6347 1 11 . 1 1 105 105 THR CB C 105 69.861 69.861 69.465 0.396 17992 6348 1 11 . 1 1 105 105 THR H H 105 8.186 8.186 8.436 -0.250 17992 6349 1 11 . 1 1 106 106 SER N N 106 116.165 116.165 120.660 -4.495 17992 6350 1 11 . 1 1 106 106 SER HA H 106 4.344 4.344 4.386 -0.042 17992 6351 1 11 . 1 1 106 106 SER CA C 106 60.864 60.864 60.032 0.832 17992 6352 1 11 . 1 1 106 106 SER CB C 106 63.462 63.462 63.021 0.441 17992 6353 1 11 . 1 1 106 106 SER H H 106 8.200 8.200 8.737 -0.537 17992 6354 1 11 . 1 1 107 107 SER N N 107 116.732 116.732 116.310 0.422 17992 6355 1 11 . 1 1 107 107 SER HA H 107 4.413 4.413 4.497 -0.084 17992 6356 1 11 . 1 1 107 107 SER CA C 107 60.051 60.051 60.944 -0.894 17992 6357 1 11 . 1 1 107 107 SER CB C 107 63.921 63.921 63.580 0.341 17992 6358 1 11 . 1 1 107 107 SER H H 107 8.114 8.114 8.238 -0.124 17992 6359 1 11 . 1 1 108 108 ALA N N 108 122.523 122.523 123.890 -1.367 17992 6360 1 11 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.321 0.113 17992 6361 1 11 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.185 -0.703 17992 6362 1 11 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.237 1.094 17992 6363 1 11 . 1 1 108 108 ALA H H 108 8.022 8.022 7.464 0.558 17992 6364 1 11 . 1 1 109 109 VAL N N 109 117.146 117.146 120.724 -3.578 17992 6365 1 11 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.691 0.097 17992 6366 1 11 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.231 -1.397 17992 6367 1 11 . 1 1 109 109 VAL H H 109 7.829 7.829 7.701 0.128 17992 6368 1 11 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.276 0.204 17992 6369 1 11 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.337 0.108 17992 6370 1 11 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.276 0.103 17992 6371 1 11 . 1 1 111 111 LEU N N 111 117.393 117.393 119.158 -1.765 17992 6372 1 11 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.148 0.065 17992 6373 1 11 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.444 0.338 17992 6374 1 11 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.204 0.244 17992 6375 1 11 . 1 1 111 111 LEU H H 111 7.538 7.538 7.218 0.320 17992 6376 1 11 . 1 1 112 112 ILE N N 112 117.001 117.001 119.810 -2.809 17992 6377 1 11 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.992 0.009 17992 6378 1 11 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.557 1.069 17992 6379 1 11 . 1 1 112 112 ILE H H 112 8.118 8.118 8.636 -0.518 17992 6380 1 11 . 1 1 113 113 GLY N N 113 106.840 106.840 106.962 -0.122 17992 6381 1 11 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.061 0.711 17992 6382 1 11 . 1 1 113 113 GLY H H 113 8.409 8.409 7.828 0.581 17992 6383 1 11 . 1 1 114 114 LYS N N 114 120.736 120.736 121.899 -1.163 17992 6384 1 11 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.155 -0.035 17992 6385 1 11 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.678 0.460 17992 6386 1 11 . 1 1 114 114 LYS H H 114 7.847 7.847 8.081 -0.234 17992 6387 1 11 . 1 1 115 115 TYR N N 115 117.055 117.055 117.724 -0.669 17992 6388 1 11 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.413 -0.141 17992 6389 1 11 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.989 -0.559 17992 6390 1 11 . 1 1 115 115 TYR H H 115 7.891 7.891 7.542 0.349 17992 6391 1 11 . 1 1 116 116 MET H H 116 8.170 8.170 7.673 0.497 17992 6392 1 11 . 1 1 117 117 LEU N N 117 117.768 117.768 119.938 -2.170 17992 6393 1 11 . 1 1 117 117 LEU HA H 117 3.909 3.909 3.949 -0.040 17992 6394 1 11 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.217 1.377 17992 6395 1 11 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.344 -0.008 17992 6396 1 11 . 1 1 117 117 LEU H H 117 7.781 7.781 7.660 0.121 17992 6397 1 11 . 1 1 118 118 PHE N N 118 118.204 118.204 119.131 -0.927 17992 6398 1 11 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.145 0.283 17992 6399 1 11 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.487 -0.752 17992 6400 1 11 . 1 1 118 118 PHE H H 118 8.024 8.024 7.837 0.187 17992 6401 1 11 . 1 1 119 119 THR N N 119 114.941 114.941 113.995 0.946 17992 6402 1 11 . 1 1 119 119 THR HA H 119 3.972 3.972 4.165 -0.193 17992 6403 1 11 . 1 1 119 119 THR CA C 119 67.518 67.518 66.584 0.934 17992 6404 1 11 . 1 1 119 119 THR CB C 119 69.194 69.194 68.779 0.415 17992 6405 1 11 . 1 1 119 119 THR H H 119 8.171 8.171 8.258 -0.087 17992 6406 1 11 . 1 1 120 120 LYS N N 120 121.758 121.758 121.940 -0.182 17992 6407 1 11 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.144 -0.164 17992 6408 1 11 . 1 1 120 120 LYS CA C 120 60.810 60.810 58.806 2.004 17992 6409 1 11 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.436 0.079 17992 6410 1 11 . 1 1 120 120 LYS H H 120 8.359 8.359 7.537 0.822 17992 6411 1 11 . 1 1 121 121 GLU N N 121 117.504 117.504 117.745 -0.241 17992 6412 1 11 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.164 0.050 17992 6413 1 11 . 1 1 121 121 GLU CA C 121 59.240 59.240 57.978 1.262 17992 6414 1 11 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.807 -1.424 17992 6415 1 11 . 1 1 121 121 GLU H H 121 8.222 8.222 8.155 0.067 17992 6416 1 11 . 1 1 122 122 PHE N N 122 121.586 121.586 118.535 3.051 17992 6417 1 11 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.226 0.068 17992 6418 1 11 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.088 0.486 17992 6419 1 11 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.680 -0.321 17992 6420 1 11 . 1 1 122 122 PHE H H 122 8.562 8.562 7.438 1.124 17992 6421 1 11 . 1 1 123 123 VAL N N 123 121.558 121.558 119.938 1.620 17992 6422 1 11 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.727 -0.211 17992 6423 1 11 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.369 1.239 17992 6424 1 11 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.864 -0.403 17992 6425 1 11 . 1 1 123 123 VAL H H 123 8.784 8.784 7.622 1.162 17992 6426 1 11 . 1 1 124 124 GLU N N 124 118.314 118.314 119.661 -1.347 17992 6427 1 11 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.024 0.018 17992 6428 1 11 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.042 1.165 17992 6429 1 11 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.060 -0.635 17992 6430 1 11 . 1 1 124 124 GLU H H 124 8.564 8.564 8.416 0.148 17992 6431 1 11 . 1 1 125 125 SER N N 125 114.779 114.779 114.099 0.680 17992 6432 1 11 . 1 1 125 125 SER HA H 125 4.265 4.265 4.288 -0.023 17992 6433 1 11 . 1 1 125 125 SER CA C 125 62.342 62.342 61.024 1.318 17992 6434 1 11 . 1 1 125 125 SER CB C 125 63.162 63.162 62.978 0.184 17992 6435 1 11 . 1 1 125 125 SER H H 125 8.348 8.348 8.161 0.187 17992 6436 1 11 . 1 1 126 126 SER N N 126 118.464 118.464 118.205 0.259 17992 6437 1 11 . 1 1 126 126 SER HA H 126 4.069 4.069 4.433 -0.364 17992 6438 1 11 . 1 1 126 126 SER CA C 126 62.846 62.846 61.996 0.850 17992 6439 1 11 . 1 1 126 126 SER H H 126 8.144 8.144 7.966 0.178 17992 6440 1 11 . 1 1 127 127 ILE N N 127 124.705 124.705 118.445 6.260 17992 6441 1 11 . 1 1 127 127 ILE HA H 127 3.681 3.681 3.933 -0.252 17992 6442 1 11 . 1 1 127 127 ILE CA C 127 65.641 65.641 64.073 1.568 17992 6443 1 11 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.462 0.572 17992 6444 1 11 . 1 1 127 127 ILE H H 127 8.280 8.280 7.643 0.637 17992 6445 1 11 . 1 1 128 128 LYS N N 128 119.907 119.907 119.517 0.390 17992 6446 1 11 . 1 1 128 128 LYS CA C 128 59.885 59.885 58.963 0.922 17992 6447 1 11 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.547 -0.299 17992 6448 1 11 . 1 1 128 128 LYS H H 128 7.741 7.741 7.440 0.301 17992 6449 1 11 . 1 1 129 129 ILE N N 129 118.807 118.807 118.024 0.783 17992 6450 1 11 . 1 1 129 129 ILE HA H 129 4.107 4.107 4.029 0.078 17992 6451 1 11 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.525 -0.133 17992 6452 1 11 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.902 -0.852 17992 6453 1 11 . 1 1 129 129 ILE H H 129 8.215 8.215 7.570 0.645 17992 6454 1 11 . 1 1 130 130 THR N N 130 117.328 117.328 113.906 3.422 17992 6455 1 11 . 1 1 130 130 THR HA H 130 3.921 3.921 3.846 0.075 17992 6456 1 11 . 1 1 130 130 THR CA C 130 68.210 68.210 66.252 1.958 17992 6457 1 11 . 1 1 130 130 THR H H 130 7.988 7.988 8.379 -0.391 17992 6458 1 11 . 1 1 131 131 GLU N N 131 118.968 118.968 121.555 -2.587 17992 6459 1 11 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.003 -0.025 17992 6460 1 11 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.895 0.705 17992 6461 1 11 . 1 1 131 131 GLU H H 131 8.439 8.439 8.011 0.428 17992 6462 1 11 . 1 1 132 132 GLU N N 132 118.712 118.712 118.435 0.277 17992 6463 1 11 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.155 0.071 17992 6464 1 11 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.352 0.915 17992 6465 1 11 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.920 -1.301 17992 6466 1 11 . 1 1 132 132 GLU H H 132 7.987 7.987 7.829 0.158 17992 6467 1 11 . 1 1 133 133 VAL N N 133 120.060 120.060 120.628 -0.568 17992 6468 1 11 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.937 -0.070 17992 6469 1 11 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.193 2.137 17992 6470 1 11 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.116 0.040 17992 6471 1 11 . 1 1 133 133 VAL H H 133 8.341 8.341 7.908 0.433 17992 6472 1 11 . 1 1 134 134 ILE N N 134 119.699 119.699 120.419 -0.720 17992 6473 1 11 . 1 1 134 134 ILE HA H 134 3.860 3.860 4.019 -0.159 17992 6474 1 11 . 1 1 134 134 ILE CA C 134 65.184 65.184 61.921 3.263 17992 6475 1 11 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.864 0.038 17992 6476 1 11 . 1 1 134 134 ILE H H 134 8.331 8.331 7.709 0.622 17992 6477 1 11 . 1 1 135 135 ASN N N 135 117.396 117.396 116.723 0.673 17992 6478 1 11 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.636 0.039 17992 6479 1 11 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.858 -0.353 17992 6480 1 11 . 1 1 135 135 ASN CB C 135 39.127 39.127 39.002 0.125 17992 6481 1 11 . 1 1 135 135 ASN H H 135 8.318 8.318 8.073 0.245 17992 6482 1 11 . 1 1 136 136 THR N N 136 111.419 111.419 114.192 -2.773 17992 6483 1 11 . 1 1 136 136 THR HA H 136 4.308 4.308 4.334 -0.026 17992 6484 1 11 . 1 1 136 136 THR CA C 136 63.872 63.872 66.326 -2.454 17992 6485 1 11 . 1 1 136 136 THR CB C 136 69.779 69.779 69.160 0.619 17992 6486 1 11 . 1 1 136 136 THR H H 136 8.006 8.006 7.458 0.548 17992 6487 1 11 . 1 1 137 137 HIS N N 137 118.612 118.612 121.149 -2.537 17992 6488 1 11 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.320 0.383 17992 6489 1 11 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.755 -2.296 17992 6490 1 11 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.373 -1.661 17992 6491 1 11 . 1 1 137 137 HIS H H 137 8.013 8.013 8.166 -0.153 17992 6492 1 11 . 1 1 138 138 HIS N N 138 118.709 118.709 116.860 1.849 17992 6493 1 11 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.207 0.619 17992 6494 1 11 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.489 -1.975 17992 6495 1 11 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.123 -0.877 17992 6496 1 11 . 1 1 138 138 HIS H H 138 8.169 8.169 7.760 0.409 17992 6497 1 11 . 1 1 139 139 ARG N N 139 123.025 123.025 118.615 4.410 17992 6498 1 11 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.022 0.544 17992 6499 1 11 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.540 -2.146 17992 6500 1 11 . 1 1 139 139 ARG CB C 139 31.021 31.021 31.020 0.001 17992 6501 1 11 . 1 1 139 139 ARG H H 139 8.419 8.419 8.251 0.168 17992 6502 1 12 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.813 -0.075 17992 6503 1 12 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.088 0.688 17992 6504 1 12 . 1 1 8 8 HIS CB C 8 29.344 29.344 31.550 -2.206 17992 6505 1 12 . 1 1 8 8 HIS H H 8 8.686 8.686 8.350 0.336 17992 6506 1 12 . 1 1 9 9 ALA N N 9 124.079 124.079 124.714 -0.635 17992 6507 1 12 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.502 -0.115 17992 6508 1 12 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.964 0.323 17992 6509 1 12 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.256 -1.081 17992 6510 1 12 . 1 1 9 9 ALA H H 9 8.457 8.457 8.542 -0.085 17992 6511 1 12 . 1 1 10 10 MET N N 10 120.430 120.430 118.383 2.047 17992 6512 1 12 . 1 1 10 10 MET HA H 10 4.390 4.390 4.390 -0.000 17992 6513 1 12 . 1 1 10 10 MET CA C 10 57.753 57.753 57.792 -0.039 17992 6514 1 12 . 1 1 10 10 MET CB C 10 32.355 32.355 32.267 0.088 17992 6515 1 12 . 1 1 10 10 MET H H 10 8.545 8.545 8.242 0.303 17992 6516 1 12 . 1 1 11 11 VAL N N 11 119.159 119.159 116.128 3.031 17992 6517 1 12 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.944 0.072 17992 6518 1 12 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.125 1.146 17992 6519 1 12 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.343 0.268 17992 6520 1 12 . 1 1 11 11 VAL H H 11 8.339 8.339 7.918 0.421 17992 6521 1 12 . 1 1 12 12 ILE N N 12 119.461 119.461 120.575 -1.114 17992 6522 1 12 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.135 -0.182 17992 6523 1 12 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.614 0.720 17992 6524 1 12 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.248 -0.752 17992 6525 1 12 . 1 1 12 12 ILE H H 12 7.705 7.705 8.009 -0.304 17992 6526 1 12 . 1 1 13 13 ASP N N 13 119.460 119.460 119.761 -0.301 17992 6527 1 12 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.605 -0.221 17992 6528 1 12 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.321 1.203 17992 6529 1 12 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.928 -1.516 17992 6530 1 12 . 1 1 13 13 ASP H H 13 8.172 8.172 7.863 0.309 17992 6531 1 12 . 1 1 14 14 HIS N N 14 116.421 116.421 117.558 -1.137 17992 6532 1 12 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.511 0.029 17992 6533 1 12 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.156 0.592 17992 6534 1 12 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.598 -1.946 17992 6535 1 12 . 1 1 14 14 HIS H H 14 8.138 8.138 8.107 0.031 17992 6536 1 12 . 1 1 15 15 ILE N N 15 119.970 119.970 120.017 -0.047 17992 6537 1 12 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.812 -0.004 17992 6538 1 12 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.477 0.927 17992 6539 1 12 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.790 -0.003 17992 6540 1 12 . 1 1 15 15 ILE H H 15 8.224 8.224 7.664 0.560 17992 6541 1 12 . 1 1 16 16 LEU N N 16 118.635 118.635 121.961 -3.326 17992 6542 1 12 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.690 1.302 17992 6543 1 12 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.267 0.519 17992 6544 1 12 . 1 1 16 16 LEU H H 16 8.480 8.480 7.819 0.661 17992 6545 1 12 . 1 1 17 17 LYS N N 17 118.257 118.257 117.222 1.035 17992 6546 1 12 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.036 0.058 17992 6547 1 12 . 1 1 17 17 LYS CA C 17 59.882 59.882 58.830 1.052 17992 6548 1 12 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.552 0.664 17992 6549 1 12 . 1 1 17 17 LYS H H 17 8.098 8.098 7.892 0.206 17992 6550 1 12 . 1 1 18 18 CYS N N 18 117.220 117.220 119.460 -2.240 17992 6551 1 12 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.292 0.037 17992 6552 1 12 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.589 0.629 17992 6553 1 12 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.228 -0.406 17992 6554 1 12 . 1 1 18 18 CYS H H 18 7.899 7.899 7.813 0.086 17992 6555 1 12 . 1 1 19 19 VAL N N 19 118.929 118.929 119.658 -0.729 17992 6556 1 12 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.900 -0.175 17992 6557 1 12 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.829 2.251 17992 6558 1 12 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.029 0.028 17992 6559 1 12 . 1 1 19 19 VAL H H 19 8.352 8.352 7.838 0.513 17992 6560 1 12 . 1 1 20 20 PHE N N 20 120.244 120.244 119.860 0.384 17992 6561 1 12 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.321 -0.047 17992 6562 1 12 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.657 0.969 17992 6563 1 12 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.369 -0.289 17992 6564 1 12 . 1 1 20 20 PHE H H 20 8.791 8.791 8.756 0.035 17992 6565 1 12 . 1 1 21 21 ASP N N 21 118.761 118.761 120.293 -1.532 17992 6566 1 12 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.389 -0.026 17992 6567 1 12 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.597 -0.080 17992 6568 1 12 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.978 -0.910 17992 6569 1 12 . 1 1 21 21 ASP H H 21 8.705 8.705 7.885 0.820 17992 6570 1 12 . 1 1 22 22 LYS N N 22 118.200 118.200 120.430 -2.230 17992 6571 1 12 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.140 0.054 17992 6572 1 12 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.806 -0.213 17992 6573 1 12 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.193 0.106 17992 6574 1 12 . 1 1 22 22 LYS H H 22 7.810 7.810 7.676 0.134 17992 6575 1 12 . 1 1 23 23 ILE N N 23 118.534 118.534 118.768 -0.234 17992 6576 1 12 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.184 0.597 17992 6577 1 12 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.603 0.493 17992 6578 1 12 . 1 1 23 23 ILE H H 23 8.351 8.351 7.642 0.709 17992 6579 1 12 . 1 1 24 24 CYS N N 24 117.155 117.155 116.224 0.931 17992 6580 1 12 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.050 -0.001 17992 6581 1 12 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.531 0.968 17992 6582 1 12 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.502 -0.876 17992 6583 1 12 . 1 1 24 24 CYS H H 24 8.203 8.203 7.965 0.238 17992 6584 1 12 . 1 1 25 25 LYS N N 25 119.995 119.995 120.978 -0.983 17992 6585 1 12 . 1 1 25 25 LYS CA C 25 58.762 58.762 58.723 0.039 17992 6586 1 12 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.592 -0.207 17992 6587 1 12 . 1 1 25 25 LYS H H 25 7.760 7.760 7.647 0.113 17992 6588 1 12 . 1 1 26 26 ILE N N 26 119.168 119.168 119.998 -0.830 17992 6589 1 12 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.807 0.167 17992 6590 1 12 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.626 0.480 17992 6591 1 12 . 1 1 26 26 ILE CB C 26 37.556 37.556 38.026 -0.470 17992 6592 1 12 . 1 1 26 26 ILE H H 26 8.055 8.055 8.625 -0.570 17992 6593 1 12 . 1 1 27 27 GLY N N 27 108.257 108.257 106.197 2.060 17992 6594 1 12 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.227 -0.238 17992 6595 1 12 . 1 1 27 27 GLY H H 27 8.568 8.568 7.679 0.889 17992 6596 1 12 . 1 1 28 28 THR N N 28 112.727 112.727 116.464 -3.737 17992 6597 1 12 . 1 1 28 28 THR HA H 28 3.912 3.912 3.869 0.043 17992 6598 1 12 . 1 1 28 28 THR CA C 28 64.717 64.717 65.933 -1.216 17992 6599 1 12 . 1 1 28 28 THR CB C 28 69.375 69.375 68.440 0.935 17992 6600 1 12 . 1 1 28 28 THR H H 28 8.059 8.059 7.600 0.459 17992 6601 1 12 . 1 1 29 29 GLU N N 29 120.068 120.068 120.310 -0.242 17992 6602 1 12 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.019 -1.415 17992 6603 1 12 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.384 -0.291 17992 6604 1 12 . 1 1 29 29 GLU H H 29 8.113 8.113 7.611 0.502 17992 6605 1 12 . 1 1 30 30 SER N N 30 114.882 114.882 114.427 0.455 17992 6606 1 12 . 1 1 30 30 SER HA H 30 4.374 4.374 4.155 0.219 17992 6607 1 12 . 1 1 30 30 SER CA C 30 60.353 60.353 60.809 -0.456 17992 6608 1 12 . 1 1 30 30 SER H H 30 8.060 8.060 7.697 0.363 17992 6609 1 12 . 1 1 31 31 VAL N N 31 122.098 122.098 120.839 1.259 17992 6610 1 12 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.766 0.251 17992 6611 1 12 . 1 1 31 31 VAL CA C 31 64.627 64.627 64.633 -0.006 17992 6612 1 12 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.190 0.795 17992 6613 1 12 . 1 1 31 31 VAL H H 31 8.127 8.127 7.821 0.306 17992 6614 1 12 . 1 1 32 32 GLU N N 32 120.280 120.280 120.188 0.092 17992 6615 1 12 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.104 0.214 17992 6616 1 12 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.288 -1.401 17992 6617 1 12 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.459 -0.805 17992 6618 1 12 . 1 1 32 32 GLU H H 32 8.243 8.243 7.402 0.841 17992 6619 1 12 . 1 1 33 33 ALA N N 33 121.715 121.715 121.511 0.204 17992 6620 1 12 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.893 0.295 17992 6621 1 12 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.377 0.347 17992 6622 1 12 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.919 0.809 17992 6623 1 12 . 1 1 33 33 ALA H H 33 8.218 8.218 7.326 0.892 17992 6624 1 12 . 1 1 34 34 GLY N N 34 104.656 104.656 105.208 -0.552 17992 6625 1 12 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.145 0.929 17992 6626 1 12 . 1 1 34 34 GLY H H 34 8.308 8.308 7.455 0.853 17992 6627 1 12 . 1 1 35 35 ARG N N 35 119.958 119.958 120.926 -0.968 17992 6628 1 12 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.352 -0.076 17992 6629 1 12 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.157 1.867 17992 6630 1 12 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.493 0.796 17992 6631 1 12 . 1 1 35 35 ARG H H 35 7.975 7.975 7.521 0.454 17992 6632 1 12 . 1 1 36 36 LEU N N 36 118.931 118.931 121.302 -2.371 17992 6633 1 12 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.135 0.089 17992 6634 1 12 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.314 0.489 17992 6635 1 12 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.666 0.527 17992 6636 1 12 . 1 1 36 36 LEU H H 36 7.958 7.958 8.265 -0.307 17992 6637 1 12 . 1 1 37 37 ILE N N 37 118.087 118.087 119.345 -1.258 17992 6638 1 12 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.734 0.197 17992 6639 1 12 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.943 -0.084 17992 6640 1 12 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.582 0.457 17992 6641 1 12 . 1 1 37 37 ILE H H 37 7.904 7.904 7.941 -0.037 17992 6642 1 12 . 1 1 38 38 GLU N N 38 120.989 120.989 119.282 1.707 17992 6643 1 12 . 1 1 38 38 GLU HA H 38 4.231 4.231 4.031 0.200 17992 6644 1 12 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.254 -0.809 17992 6645 1 12 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.301 -0.290 17992 6646 1 12 . 1 1 38 38 GLU H H 38 8.041 8.041 7.532 0.509 17992 6647 1 12 . 1 1 39 39 LEU N N 39 120.111 120.111 119.180 0.931 17992 6648 1 12 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.107 0.164 17992 6649 1 12 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.147 0.264 17992 6650 1 12 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.622 0.673 17992 6651 1 12 . 1 1 39 39 LEU H H 39 8.173 8.173 7.722 0.451 17992 6652 1 12 . 1 1 40 40 SER N N 40 113.806 113.806 112.229 1.577 17992 6653 1 12 . 1 1 40 40 SER HA H 40 4.312 4.312 4.303 0.009 17992 6654 1 12 . 1 1 40 40 SER CA C 40 60.406 60.406 59.742 0.663 17992 6655 1 12 . 1 1 40 40 SER CB C 40 63.646 63.646 63.890 -0.244 17992 6656 1 12 . 1 1 40 40 SER H H 40 8.031 8.031 7.574 0.457 17992 6657 1 12 . 1 1 41 41 GLN N N 41 120.139 120.139 121.495 -1.356 17992 6658 1 12 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.151 0.245 17992 6659 1 12 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.065 -0.464 17992 6660 1 12 . 1 1 41 41 GLN CB C 41 29.385 29.385 27.436 1.949 17992 6661 1 12 . 1 1 41 41 GLN H H 41 7.956 7.956 7.912 0.044 17992 6662 1 12 . 1 1 42 42 GLU N N 42 119.728 119.728 124.417 -4.689 17992 6663 1 12 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.556 -0.183 17992 6664 1 12 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.445 0.644 17992 6665 1 12 . 1 1 42 42 GLU CB C 42 29.355 29.355 30.346 -0.991 17992 6666 1 12 . 1 1 42 42 GLU H H 42 8.114 8.114 8.314 -0.200 17992 6667 1 12 . 1 1 43 43 GLY N N 43 108.655 108.655 109.132 -0.477 17992 6668 1 12 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.458 0.165 17992 6669 1 12 . 1 1 43 43 GLY H H 43 8.325 8.325 8.673 -0.348 17992 6670 1 12 . 1 1 44 44 GLY N N 44 107.872 107.872 108.654 -0.782 17992 6671 1 12 . 1 1 44 44 GLY CA C 44 45.487 45.487 45.079 0.408 17992 6672 1 12 . 1 1 44 44 GLY H H 44 8.105 8.105 8.059 0.046 17992 6673 1 12 . 1 1 48 48 GLY CA C 48 45.395 45.395 44.188 1.207 17992 6674 1 12 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.420 0.049 17992 6675 1 12 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.365 1.065 17992 6676 1 12 . 1 1 49 49 PRO CB C 49 32.321 32.321 32.062 0.259 17992 6677 1 12 . 1 1 50 50 LEU N N 50 116.864 116.864 118.389 -1.525 17992 6678 1 12 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.237 -0.035 17992 6679 1 12 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.395 0.154 17992 6680 1 12 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.487 0.212 17992 6681 1 12 . 1 1 50 50 LEU H H 50 8.336 8.336 7.689 0.647 17992 6682 1 12 . 1 1 51 51 TYR N N 51 118.433 118.433 120.898 -2.465 17992 6683 1 12 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.145 0.020 17992 6684 1 12 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.876 0.158 17992 6685 1 12 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.108 0.376 17992 6686 1 12 . 1 1 51 51 TYR H H 51 7.765 7.765 7.836 -0.071 17992 6687 1 12 . 1 1 52 52 PHE N N 52 117.945 117.945 119.850 -1.905 17992 6688 1 12 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.445 0.815 17992 6689 1 12 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.115 0.136 17992 6690 1 12 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.898 0.422 17992 6691 1 12 . 1 1 52 52 PHE H H 52 7.873 7.873 7.614 0.259 17992 6692 1 12 . 1 1 53 53 VAL N N 53 117.468 117.468 118.275 -0.807 17992 6693 1 12 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.305 0.347 17992 6694 1 12 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.983 0.315 17992 6695 1 12 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.086 0.724 17992 6696 1 12 . 1 1 53 53 VAL H H 53 7.864 7.864 7.488 0.376 17992 6697 1 12 . 1 1 54 54 VAL N N 54 116.929 116.929 120.955 -4.026 17992 6698 1 12 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.710 -0.008 17992 6699 1 12 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.158 -0.091 17992 6700 1 12 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.613 0.188 17992 6701 1 12 . 1 1 54 54 VAL H H 54 7.958 7.958 8.071 -0.113 17992 6702 1 12 . 1 1 55 55 ASN N N 55 115.543 115.543 117.270 -1.727 17992 6703 1 12 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.564 0.066 17992 6704 1 12 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.437 0.023 17992 6705 1 12 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.227 0.702 17992 6706 1 12 . 1 1 55 55 ASN H H 55 7.823 7.823 7.924 -0.101 17992 6707 1 12 . 1 1 56 56 VAL N N 56 116.125 116.125 119.907 -3.782 17992 6708 1 12 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.751 0.346 17992 6709 1 12 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.170 -1.031 17992 6710 1 12 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.904 0.099 17992 6711 1 12 . 1 1 56 56 VAL H H 56 7.664 7.664 7.413 0.251 17992 6712 1 12 . 1 1 57 57 ILE N N 57 116.872 116.872 118.639 -1.767 17992 6713 1 12 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.764 0.245 17992 6714 1 12 . 1 1 57 57 ILE CA C 57 63.550 63.550 63.001 0.549 17992 6715 1 12 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.606 1.157 17992 6716 1 12 . 1 1 57 57 ILE H H 57 7.587 7.587 7.902 -0.315 17992 6717 1 12 . 1 1 58 58 GLU N N 58 118.190 118.190 120.495 -2.305 17992 6718 1 12 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.110 0.089 17992 6719 1 12 . 1 1 58 58 GLU CA C 58 60.305 60.305 62.053 -1.748 17992 6720 1 12 . 1 1 58 58 GLU H H 58 8.114 8.114 7.727 0.387 17992 6721 1 12 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.379 0.130 17992 6722 1 12 . 1 1 59 59 PRO CA C 59 65.562 65.562 64.972 0.590 17992 6723 1 12 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.295 0.171 17992 6724 1 12 . 1 1 60 60 CYS N N 60 115.035 115.035 117.887 -2.852 17992 6725 1 12 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.149 0.119 17992 6726 1 12 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.358 -0.245 17992 6727 1 12 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.409 -0.419 17992 6728 1 12 . 1 1 60 60 CYS H H 60 7.913 7.913 7.525 0.388 17992 6729 1 12 . 1 1 61 61 LYS N N 61 121.184 121.184 120.283 0.901 17992 6730 1 12 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.890 0.382 17992 6731 1 12 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.226 -1.137 17992 6732 1 12 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.056 0.372 17992 6733 1 12 . 1 1 61 61 LYS H H 61 8.197 8.197 8.064 0.133 17992 6734 1 12 . 1 1 62 62 LYS N N 62 118.253 118.253 117.371 0.882 17992 6735 1 12 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.992 -1.148 17992 6736 1 12 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.175 -0.085 17992 6737 1 12 . 1 1 62 62 LYS H H 62 7.982 7.982 7.872 0.110 17992 6738 1 12 . 1 1 63 63 PHE N N 63 118.763 118.763 117.883 0.880 17992 6739 1 12 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.559 -0.304 17992 6740 1 12 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.633 0.901 17992 6741 1 12 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.800 -0.649 17992 6742 1 12 . 1 1 63 63 PHE H H 63 8.155 8.155 7.542 0.613 17992 6743 1 12 . 1 1 64 64 SER N N 64 114.881 114.881 116.433 -1.552 17992 6744 1 12 . 1 1 64 64 SER HA H 64 4.268 4.268 4.221 0.047 17992 6745 1 12 . 1 1 64 64 SER CA C 64 61.588 61.588 61.895 -0.307 17992 6746 1 12 . 1 1 64 64 SER CB C 64 63.175 63.175 63.053 0.122 17992 6747 1 12 . 1 1 64 64 SER H H 64 8.218 8.218 8.050 0.168 17992 6748 1 12 . 1 1 65 65 GLU N N 65 120.937 120.937 119.677 1.260 17992 6749 1 12 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.156 0.128 17992 6750 1 12 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.585 -0.374 17992 6751 1 12 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.561 -0.598 17992 6752 1 12 . 1 1 65 65 GLU H H 65 8.067 8.067 7.778 0.289 17992 6753 1 12 . 1 1 66 66 LEU N N 66 118.904 118.904 119.142 -0.238 17992 6754 1 12 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.064 0.199 17992 6755 1 12 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.350 -0.128 17992 6756 1 12 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.394 0.931 17992 6757 1 12 . 1 1 66 66 LEU H H 66 8.003 8.003 7.693 0.310 17992 6758 1 12 . 1 1 67 67 THR N N 67 108.190 108.190 114.987 -6.797 17992 6759 1 12 . 1 1 67 67 THR HA H 67 4.043 4.043 4.328 -0.285 17992 6760 1 12 . 1 1 67 67 THR CA C 67 64.579 64.579 66.749 -2.170 17992 6761 1 12 . 1 1 67 67 THR CB C 67 69.410 69.410 68.434 0.976 17992 6762 1 12 . 1 1 67 67 THR H H 67 7.783 7.783 8.105 -0.322 17992 6763 1 12 . 1 1 68 68 GLY N N 68 108.141 108.141 107.466 0.675 17992 6764 1 12 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.426 0.818 17992 6765 1 12 . 1 1 68 68 GLY H H 68 7.964 7.964 7.513 0.451 17992 6766 1 12 . 1 1 69 69 LEU N N 69 120.124 120.124 121.123 -0.999 17992 6767 1 12 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.616 -0.264 17992 6768 1 12 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.975 0.511 17992 6769 1 12 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.584 -0.210 17992 6770 1 12 . 1 1 69 69 LEU H H 69 7.749 7.749 7.645 0.104 17992 6771 1 12 . 1 1 70 70 VAL N N 70 115.546 115.546 117.902 -2.356 17992 6772 1 12 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.927 0.008 17992 6773 1 12 . 1 1 70 70 VAL CA C 70 63.630 63.630 65.126 -1.496 17992 6774 1 12 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.344 -0.080 17992 6775 1 12 . 1 1 70 70 VAL H H 70 7.607 7.607 7.623 -0.016 17992 6776 1 12 . 1 1 71 71 PHE N N 71 119.035 119.035 117.331 1.704 17992 6777 1 12 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.522 0.036 17992 6778 1 12 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.555 -1.008 17992 6779 1 12 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.680 -0.380 17992 6780 1 12 . 1 1 71 71 PHE H H 71 7.618 7.618 8.012 -0.394 17992 6781 1 12 . 1 1 72 72 TYR N N 72 118.365 118.365 119.549 -1.184 17992 6782 1 12 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.615 -0.036 17992 6783 1 12 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.196 -1.099 17992 6784 1 12 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.871 -1.627 17992 6785 1 12 . 1 1 72 72 TYR H H 72 7.740 7.740 7.590 0.150 17992 6786 1 12 . 1 1 73 73 LEU N N 73 121.184 121.184 121.507 -0.323 17992 6787 1 12 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.809 -0.234 17992 6788 1 12 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.451 2.098 17992 6789 1 12 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.663 -1.582 17992 6790 1 12 . 1 1 73 73 LEU H H 73 7.713 7.713 8.208 -0.495 17992 6791 1 12 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.617 0.021 17992 6792 1 12 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.818 0.386 17992 6793 1 12 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.133 -0.452 17992 6794 1 12 . 1 1 75 75 THR N N 75 113.231 113.231 116.415 -3.184 17992 6795 1 12 . 1 1 75 75 THR HA H 75 4.339 4.339 4.467 -0.128 17992 6796 1 12 . 1 1 75 75 THR CA C 75 62.684 62.684 63.159 -0.475 17992 6797 1 12 . 1 1 75 75 THR H H 75 8.217 8.217 8.294 -0.077 17992 6798 1 12 . 1 1 76 76 ASP N N 76 120.892 120.892 117.267 3.625 17992 6799 1 12 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.891 -0.101 17992 6800 1 12 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.915 0.324 17992 6801 1 12 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.807 -1.492 17992 6802 1 12 . 1 1 76 76 ASP H H 76 8.406 8.406 7.530 0.876 17992 6803 1 12 . 1 1 77 77 SER N N 77 115.861 115.861 114.683 1.178 17992 6804 1 12 . 1 1 77 77 SER HA H 77 4.345 4.345 4.348 -0.003 17992 6805 1 12 . 1 1 77 77 SER CA C 77 60.528 60.528 60.421 0.107 17992 6806 1 12 . 1 1 77 77 SER CB C 77 63.812 63.812 63.559 0.253 17992 6807 1 12 . 1 1 77 77 SER H H 77 8.238 8.238 8.569 -0.331 17992 6808 1 12 . 1 1 78 78 GLY N N 78 110.440 110.440 106.122 4.318 17992 6809 1 12 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.062 1.591 17992 6810 1 12 . 1 1 78 78 GLY H H 78 8.570 8.570 7.788 0.782 17992 6811 1 12 . 1 1 79 79 GLU N N 79 121.242 121.242 122.219 -0.977 17992 6812 1 12 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.176 0.144 17992 6813 1 12 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.309 -1.291 17992 6814 1 12 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.610 -0.528 17992 6815 1 12 . 1 1 79 79 GLU H H 79 8.237 8.237 8.440 -0.203 17992 6816 1 12 . 1 1 80 80 LYS N N 80 119.708 119.708 119.047 0.661 17992 6817 1 12 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.055 0.264 17992 6818 1 12 . 1 1 80 80 LYS CA C 80 57.881 57.881 59.277 -1.396 17992 6819 1 12 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.669 1.077 17992 6820 1 12 . 1 1 80 80 LYS H H 80 8.252 8.252 8.680 -0.428 17992 6821 1 12 . 1 1 81 81 MET N N 81 119.849 119.849 117.389 2.460 17992 6822 1 12 . 1 1 81 81 MET HA H 81 4.367 4.367 4.409 -0.042 17992 6823 1 12 . 1 1 81 81 MET CA C 81 57.845 57.845 59.288 -1.442 17992 6824 1 12 . 1 1 81 81 MET CB C 81 32.658 32.658 32.396 0.262 17992 6825 1 12 . 1 1 81 81 MET H H 81 8.419 8.419 7.906 0.513 17992 6826 1 12 . 1 1 82 82 THR N N 82 114.947 114.947 114.864 0.083 17992 6827 1 12 . 1 1 82 82 THR HA H 82 4.132 4.132 4.012 0.120 17992 6828 1 12 . 1 1 82 82 THR CA C 82 65.377 65.377 66.464 -1.087 17992 6829 1 12 . 1 1 82 82 THR CB C 82 69.035 69.035 68.420 0.615 17992 6830 1 12 . 1 1 82 82 THR H H 82 8.115 8.115 8.120 -0.005 17992 6831 1 12 . 1 1 83 83 GLU N N 83 121.416 121.416 119.441 1.975 17992 6832 1 12 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.176 0.197 17992 6833 1 12 . 1 1 83 83 GLU CA C 83 58.064 58.064 59.092 -1.028 17992 6834 1 12 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.707 -0.765 17992 6835 1 12 . 1 1 83 83 GLU H H 83 8.336 8.336 8.366 -0.030 17992 6836 1 12 . 1 1 84 84 SER N N 84 115.783 115.783 114.689 1.094 17992 6837 1 12 . 1 1 84 84 SER HA H 84 4.278 4.278 4.296 -0.018 17992 6838 1 12 . 1 1 84 84 SER CA C 84 61.685 61.685 60.773 0.912 17992 6839 1 12 . 1 1 84 84 SER H H 84 8.191 8.191 7.725 0.466 17992 6840 1 12 . 1 1 85 85 LYS N N 85 121.318 121.318 123.077 -1.759 17992 6841 1 12 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.235 -0.150 17992 6842 1 12 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.281 0.507 17992 6843 1 12 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.395 0.035 17992 6844 1 12 . 1 1 85 85 LYS H H 85 8.113 8.113 8.262 -0.149 17992 6845 1 12 . 1 1 86 86 SER N N 86 115.042 115.042 113.354 1.688 17992 6846 1 12 . 1 1 86 86 SER HA H 86 4.389 4.389 4.378 0.011 17992 6847 1 12 . 1 1 86 86 SER CA C 86 61.437 61.437 61.048 0.389 17992 6848 1 12 . 1 1 86 86 SER CB C 86 63.116 63.116 63.061 0.055 17992 6849 1 12 . 1 1 86 86 SER H H 86 8.066 8.066 7.885 0.181 17992 6850 1 12 . 1 1 87 87 VAL N N 87 122.920 122.920 121.172 1.748 17992 6851 1 12 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.964 0.416 17992 6852 1 12 . 1 1 87 87 VAL CA C 87 66.123 66.123 64.415 1.708 17992 6853 1 12 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.200 0.179 17992 6854 1 12 . 1 1 87 87 VAL H H 87 8.103 8.103 7.717 0.386 17992 6855 1 12 . 1 1 88 88 LEU N N 88 119.501 119.501 120.424 -0.923 17992 6856 1 12 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.028 0.094 17992 6857 1 12 . 1 1 88 88 LEU CA C 88 57.906 57.906 58.048 -0.142 17992 6858 1 12 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.367 0.577 17992 6859 1 12 . 1 1 88 88 LEU H H 88 8.146 8.146 7.480 0.666 17992 6860 1 12 . 1 1 89 89 LYS N N 89 120.285 120.285 118.598 1.687 17992 6861 1 12 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.077 0.018 17992 6862 1 12 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.202 0.685 17992 6863 1 12 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.371 -0.145 17992 6864 1 12 . 1 1 89 89 LYS H H 89 8.245 8.245 7.916 0.329 17992 6865 1 12 . 1 1 90 90 SER N N 90 115.131 115.131 114.782 0.349 17992 6866 1 12 . 1 1 90 90 SER HA H 90 4.362 4.362 4.366 -0.004 17992 6867 1 12 . 1 1 90 90 SER CA C 90 61.815 61.815 60.872 0.943 17992 6868 1 12 . 1 1 90 90 SER H H 90 8.037 8.037 7.662 0.375 17992 6869 1 12 . 1 1 91 91 LEU N N 91 120.855 120.855 122.140 -1.285 17992 6870 1 12 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.267 -0.119 17992 6871 1 12 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.642 0.771 17992 6872 1 12 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.778 0.397 17992 6873 1 12 . 1 1 91 91 LEU H H 91 8.445 8.445 7.789 0.656 17992 6874 1 12 . 1 1 92 92 THR N N 92 112.933 112.933 115.508 -2.575 17992 6875 1 12 . 1 1 92 92 THR HA H 92 3.904 3.904 3.935 -0.031 17992 6876 1 12 . 1 1 92 92 THR CA C 92 67.390 67.390 66.296 1.094 17992 6877 1 12 . 1 1 92 92 THR CB C 92 69.367 69.367 68.088 1.279 17992 6878 1 12 . 1 1 92 92 THR H H 92 8.383 8.383 7.579 0.804 17992 6879 1 12 . 1 1 93 93 GLU N N 93 120.387 120.387 120.508 -0.121 17992 6880 1 12 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.680 -0.193 17992 6881 1 12 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.500 -0.355 17992 6882 1 12 . 1 1 93 93 GLU H H 93 7.971 7.971 8.299 -0.328 17992 6883 1 12 . 1 1 94 94 LYS N N 94 118.470 118.470 118.134 0.336 17992 6884 1 12 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.217 -0.051 17992 6885 1 12 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.715 1.331 17992 6886 1 12 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.425 -0.078 17992 6887 1 12 . 1 1 94 94 LYS H H 94 7.804 7.804 7.754 0.050 17992 6888 1 12 . 1 1 95 95 LEU N N 95 118.397 118.397 120.116 -1.719 17992 6889 1 12 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.160 -0.001 17992 6890 1 12 . 1 1 95 95 LEU CA C 95 57.877 57.877 57.598 0.279 17992 6891 1 12 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.085 -0.136 17992 6892 1 12 . 1 1 95 95 LEU H H 95 8.256 8.256 7.506 0.750 17992 6893 1 12 . 1 1 96 96 LYS N N 96 117.747 117.747 118.799 -1.052 17992 6894 1 12 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.007 -0.067 17992 6895 1 12 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.625 0.657 17992 6896 1 12 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.074 0.275 17992 6897 1 12 . 1 1 96 96 LYS H H 96 8.105 8.105 8.638 -0.533 17992 6898 1 12 . 1 1 97 97 LYS N N 97 116.451 116.451 119.745 -3.294 17992 6899 1 12 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.183 -0.016 17992 6900 1 12 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.415 1.128 17992 6901 1 12 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.117 0.034 17992 6902 1 12 . 1 1 97 97 LYS H H 97 7.520 7.520 7.562 -0.042 17992 6903 1 12 . 1 1 98 98 ILE N N 98 117.587 117.587 122.590 -5.003 17992 6904 1 12 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.779 0.151 17992 6905 1 12 . 1 1 98 98 ILE CA C 98 64.299 64.299 64.061 0.238 17992 6906 1 12 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.082 -0.333 17992 6907 1 12 . 1 1 98 98 ILE H H 98 7.782 7.782 7.848 -0.066 17992 6908 1 12 . 1 1 99 99 VAL N N 99 116.989 116.989 119.913 -2.924 17992 6909 1 12 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.690 0.135 17992 6910 1 12 . 1 1 99 99 VAL CA C 99 65.963 65.963 64.858 1.105 17992 6911 1 12 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.675 -0.193 17992 6912 1 12 . 1 1 99 99 VAL H H 99 7.917 7.917 7.439 0.478 17992 6913 1 12 . 1 1 100 100 GLU N N 100 116.782 116.782 118.578 -1.796 17992 6914 1 12 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.200 0.013 17992 6915 1 12 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.769 0.205 17992 6916 1 12 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.606 -1.683 17992 6917 1 12 . 1 1 100 100 GLU H H 100 7.702 7.702 7.996 -0.294 17992 6918 1 12 . 1 1 101 101 LEU N N 101 118.218 118.218 120.855 -2.637 17992 6919 1 12 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.275 -0.120 17992 6920 1 12 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.478 -0.742 17992 6921 1 12 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.521 -0.482 17992 6922 1 12 . 1 1 101 101 LEU H H 101 7.751 7.751 7.785 -0.034 17992 6923 1 12 . 1 1 102 102 ILE N N 102 119.412 119.412 111.311 8.101 17992 6924 1 12 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.563 -0.836 17992 6925 1 12 . 1 1 102 102 ILE CA C 102 61.809 61.809 57.598 4.211 17992 6926 1 12 . 1 1 102 102 ILE H H 102 7.559 7.559 7.746 -0.187 17992 6927 1 12 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.616 -0.029 17992 6928 1 12 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.793 1.496 17992 6929 1 12 . 1 1 103 103 PRO CB C 103 31.886 31.886 30.452 1.434 17992 6930 1 12 . 1 1 104 104 SER N N 104 112.794 112.794 119.053 -6.259 17992 6931 1 12 . 1 1 104 104 SER HA H 104 4.571 4.571 4.376 0.195 17992 6932 1 12 . 1 1 104 104 SER CA C 104 59.286 59.286 59.914 -0.628 17992 6933 1 12 . 1 1 104 104 SER CB C 104 63.849 63.849 63.727 0.122 17992 6934 1 12 . 1 1 104 104 SER H H 104 8.100 8.100 8.451 -0.351 17992 6935 1 12 . 1 1 105 105 THR N N 105 114.655 114.655 110.218 4.437 17992 6936 1 12 . 1 1 105 105 THR HA H 105 4.318 4.318 4.562 -0.244 17992 6937 1 12 . 1 1 105 105 THR CA C 105 64.056 64.056 61.001 3.055 17992 6938 1 12 . 1 1 105 105 THR CB C 105 69.861 69.861 71.197 -1.335 17992 6939 1 12 . 1 1 105 105 THR H H 105 8.186 8.186 7.769 0.417 17992 6940 1 12 . 1 1 106 106 SER N N 106 116.165 116.165 115.318 0.847 17992 6941 1 12 . 1 1 106 106 SER HA H 106 4.344 4.344 4.524 -0.180 17992 6942 1 12 . 1 1 106 106 SER CA C 106 60.864 60.864 59.263 1.601 17992 6943 1 12 . 1 1 106 106 SER CB C 106 63.462 63.462 62.944 0.518 17992 6944 1 12 . 1 1 106 106 SER H H 106 8.200 8.200 8.678 -0.478 17992 6945 1 12 . 1 1 107 107 SER N N 107 116.732 116.732 117.329 -0.597 17992 6946 1 12 . 1 1 107 107 SER HA H 107 4.413 4.413 4.361 0.052 17992 6947 1 12 . 1 1 107 107 SER CA C 107 60.051 60.051 61.330 -1.279 17992 6948 1 12 . 1 1 107 107 SER CB C 107 63.921 63.921 63.558 0.363 17992 6949 1 12 . 1 1 107 107 SER H H 107 8.114 8.114 8.160 -0.046 17992 6950 1 12 . 1 1 108 108 ALA N N 108 122.523 122.523 123.665 -1.142 17992 6951 1 12 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.364 0.070 17992 6952 1 12 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.853 -0.371 17992 6953 1 12 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.403 0.928 17992 6954 1 12 . 1 1 108 108 ALA H H 108 8.022 8.022 8.209 -0.187 17992 6955 1 12 . 1 1 109 109 VAL N N 109 117.146 117.146 120.451 -3.305 17992 6956 1 12 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.719 0.069 17992 6957 1 12 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.105 -1.270 17992 6958 1 12 . 1 1 109 109 VAL H H 109 7.829 7.829 7.905 -0.076 17992 6959 1 12 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.297 0.183 17992 6960 1 12 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.498 -0.053 17992 6961 1 12 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.298 0.081 17992 6962 1 12 . 1 1 111 111 LEU N N 111 117.393 117.393 119.435 -2.042 17992 6963 1 12 . 1 1 111 111 LEU HA H 111 4.213 4.213 3.968 0.245 17992 6964 1 12 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.851 -0.069 17992 6965 1 12 . 1 1 111 111 LEU CB C 111 42.448 42.448 41.016 1.432 17992 6966 1 12 . 1 1 111 111 LEU H H 111 7.538 7.538 7.285 0.253 17992 6967 1 12 . 1 1 112 112 ILE N N 112 117.001 117.001 118.730 -1.729 17992 6968 1 12 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.084 -0.083 17992 6969 1 12 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.381 0.245 17992 6970 1 12 . 1 1 112 112 ILE H H 112 8.118 8.118 7.924 0.194 17992 6971 1 12 . 1 1 113 113 GLY N N 113 106.840 106.840 106.560 0.280 17992 6972 1 12 . 1 1 113 113 GLY CA C 113 47.772 47.772 46.674 1.098 17992 6973 1 12 . 1 1 113 113 GLY H H 113 8.409 8.409 7.513 0.896 17992 6974 1 12 . 1 1 114 114 LYS N N 114 120.736 120.736 122.396 -1.660 17992 6975 1 12 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.006 0.114 17992 6976 1 12 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.907 0.231 17992 6977 1 12 . 1 1 114 114 LYS H H 114 7.847 7.847 7.538 0.309 17992 6978 1 12 . 1 1 115 115 TYR N N 115 117.055 117.055 117.144 -0.089 17992 6979 1 12 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.475 -0.203 17992 6980 1 12 . 1 1 115 115 TYR CA C 115 60.430 60.430 59.813 0.617 17992 6981 1 12 . 1 1 115 115 TYR H H 115 7.891 7.891 7.169 0.722 17992 6982 1 12 . 1 1 116 116 MET H H 116 8.170 8.170 8.087 0.083 17992 6983 1 12 . 1 1 117 117 LEU N N 117 117.768 117.768 119.960 -2.192 17992 6984 1 12 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.055 -0.146 17992 6985 1 12 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.466 1.128 17992 6986 1 12 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.712 -0.376 17992 6987 1 12 . 1 1 117 117 LEU H H 117 7.781 7.781 7.630 0.151 17992 6988 1 12 . 1 1 118 118 PHE N N 118 118.204 118.204 119.041 -0.837 17992 6989 1 12 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.137 0.291 17992 6990 1 12 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.717 -0.981 17992 6991 1 12 . 1 1 118 118 PHE H H 118 8.024 8.024 7.843 0.181 17992 6992 1 12 . 1 1 119 119 THR N N 119 114.941 114.941 113.254 1.687 17992 6993 1 12 . 1 1 119 119 THR HA H 119 3.972 3.972 4.249 -0.277 17992 6994 1 12 . 1 1 119 119 THR CA C 119 67.518 67.518 65.878 1.640 17992 6995 1 12 . 1 1 119 119 THR CB C 119 69.194 69.194 68.776 0.418 17992 6996 1 12 . 1 1 119 119 THR H H 119 8.171 8.171 7.895 0.276 17992 6997 1 12 . 1 1 120 120 LYS N N 120 121.758 121.758 121.938 -0.180 17992 6998 1 12 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.065 -0.085 17992 6999 1 12 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.335 1.475 17992 7000 1 12 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.260 0.255 17992 7001 1 12 . 1 1 120 120 LYS H H 120 8.359 8.359 7.466 0.893 17992 7002 1 12 . 1 1 121 121 GLU N N 121 117.504 117.504 119.310 -1.806 17992 7003 1 12 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.074 0.140 17992 7004 1 12 . 1 1 121 121 GLU CA C 121 59.240 59.240 59.152 0.088 17992 7005 1 12 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.418 -1.035 17992 7006 1 12 . 1 1 121 121 GLU H H 121 8.222 8.222 8.254 -0.032 17992 7007 1 12 . 1 1 122 122 PHE N N 122 121.586 121.586 119.487 2.099 17992 7008 1 12 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.292 0.002 17992 7009 1 12 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.901 0.673 17992 7010 1 12 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.243 0.116 17992 7011 1 12 . 1 1 122 122 PHE H H 122 8.562 8.562 7.779 0.783 17992 7012 1 12 . 1 1 123 123 VAL N N 123 121.558 121.558 118.592 2.966 17992 7013 1 12 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.855 -0.339 17992 7014 1 12 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.399 2.209 17992 7015 1 12 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.935 0.526 17992 7016 1 12 . 1 1 123 123 VAL H H 123 8.784 8.784 7.598 1.186 17992 7017 1 12 . 1 1 124 124 GLU N N 124 118.314 118.314 120.594 -2.280 17992 7018 1 12 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.074 -0.032 17992 7019 1 12 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.071 1.136 17992 7020 1 12 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.878 -0.453 17992 7021 1 12 . 1 1 124 124 GLU H H 124 8.564 8.564 7.847 0.717 17992 7022 1 12 . 1 1 125 125 SER N N 125 114.779 114.779 115.454 -0.675 17992 7023 1 12 . 1 1 125 125 SER HA H 125 4.265 4.265 4.328 -0.063 17992 7024 1 12 . 1 1 125 125 SER CA C 125 62.342 62.342 60.566 1.776 17992 7025 1 12 . 1 1 125 125 SER CB C 125 63.162 63.162 62.594 0.568 17992 7026 1 12 . 1 1 125 125 SER H H 125 8.348 8.348 7.686 0.662 17992 7027 1 12 . 1 1 126 126 SER N N 126 118.464 118.464 118.482 -0.018 17992 7028 1 12 . 1 1 126 126 SER HA H 126 4.069 4.069 4.367 -0.298 17992 7029 1 12 . 1 1 126 126 SER CA C 126 62.846 62.846 62.119 0.727 17992 7030 1 12 . 1 1 126 126 SER H H 126 8.144 8.144 7.946 0.198 17992 7031 1 12 . 1 1 127 127 ILE N N 127 124.705 124.705 118.931 5.774 17992 7032 1 12 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.072 -0.391 17992 7033 1 12 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.053 2.588 17992 7034 1 12 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.979 0.055 17992 7035 1 12 . 1 1 127 127 ILE H H 127 8.280 8.280 7.392 0.888 17992 7036 1 12 . 1 1 128 128 LYS N N 128 119.907 119.907 122.057 -2.150 17992 7037 1 12 . 1 1 128 128 LYS CA C 128 59.885 59.885 58.607 1.278 17992 7038 1 12 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.395 -0.147 17992 7039 1 12 . 1 1 128 128 LYS H H 128 7.741 7.741 7.420 0.321 17992 7040 1 12 . 1 1 129 129 ILE N N 129 118.807 118.807 119.253 -0.446 17992 7041 1 12 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.909 0.198 17992 7042 1 12 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.249 0.143 17992 7043 1 12 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.225 -0.175 17992 7044 1 12 . 1 1 129 129 ILE H H 129 8.215 8.215 8.452 -0.237 17992 7045 1 12 . 1 1 130 130 THR N N 130 117.328 117.328 113.142 4.186 17992 7046 1 12 . 1 1 130 130 THR HA H 130 3.921 3.921 4.021 -0.100 17992 7047 1 12 . 1 1 130 130 THR CA C 130 68.210 68.210 65.017 3.193 17992 7048 1 12 . 1 1 130 130 THR H H 130 7.988 7.988 7.790 0.198 17992 7049 1 12 . 1 1 131 131 GLU N N 131 118.968 118.968 121.233 -2.265 17992 7050 1 12 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.121 -0.143 17992 7051 1 12 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.545 1.055 17992 7052 1 12 . 1 1 131 131 GLU H H 131 8.439 8.439 7.929 0.510 17992 7053 1 12 . 1 1 132 132 GLU N N 132 118.712 118.712 117.718 0.994 17992 7054 1 12 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.270 -0.044 17992 7055 1 12 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.297 0.970 17992 7056 1 12 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.164 -1.545 17992 7057 1 12 . 1 1 132 132 GLU H H 132 7.987 7.987 7.567 0.420 17992 7058 1 12 . 1 1 133 133 VAL N N 133 120.060 120.060 121.307 -1.247 17992 7059 1 12 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.748 0.119 17992 7060 1 12 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.877 1.453 17992 7061 1 12 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.198 0.957 17992 7062 1 12 . 1 1 133 133 VAL H H 133 8.341 8.341 7.567 0.774 17992 7063 1 12 . 1 1 134 134 ILE N N 134 119.699 119.699 117.330 2.369 17992 7064 1 12 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.648 0.212 17992 7065 1 12 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.730 1.454 17992 7066 1 12 . 1 1 134 134 ILE CB C 134 37.902 37.902 36.848 1.054 17992 7067 1 12 . 1 1 134 134 ILE H H 134 8.331 8.331 7.505 0.826 17992 7068 1 12 . 1 1 135 135 ASN N N 135 117.396 117.396 118.294 -0.898 17992 7069 1 12 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.416 0.259 17992 7070 1 12 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.339 -0.834 17992 7071 1 12 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.338 0.789 17992 7072 1 12 . 1 1 135 135 ASN H H 135 8.318 8.318 8.221 0.097 17992 7073 1 12 . 1 1 136 136 THR N N 136 111.419 111.419 113.075 -1.656 17992 7074 1 12 . 1 1 136 136 THR HA H 136 4.308 4.308 4.276 0.032 17992 7075 1 12 . 1 1 136 136 THR CA C 136 63.872 63.872 65.384 -1.512 17992 7076 1 12 . 1 1 136 136 THR CB C 136 69.779 69.779 69.181 0.598 17992 7077 1 12 . 1 1 136 136 THR H H 136 8.006 8.006 7.630 0.376 17992 7078 1 12 . 1 1 137 137 HIS N N 137 118.612 118.612 120.489 -1.877 17992 7079 1 12 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.288 0.415 17992 7080 1 12 . 1 1 137 137 HIS CA C 137 56.460 56.460 57.958 -1.498 17992 7081 1 12 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.238 -0.526 17992 7082 1 12 . 1 1 137 137 HIS H H 137 8.013 8.013 7.506 0.507 17992 7083 1 12 . 1 1 138 138 HIS N N 138 118.709 118.709 118.182 0.527 17992 7084 1 12 . 1 1 138 138 HIS HA H 138 4.826 4.826 3.911 0.915 17992 7085 1 12 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.290 -1.776 17992 7086 1 12 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.073 -0.827 17992 7087 1 12 . 1 1 138 138 HIS H H 138 8.169 8.169 8.039 0.130 17992 7088 1 12 . 1 1 139 139 ARG N N 139 123.025 123.025 119.081 3.944 17992 7089 1 12 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.899 0.667 17992 7090 1 12 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.144 -1.750 17992 7091 1 12 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.742 0.279 17992 7092 1 12 . 1 1 139 139 ARG H H 139 8.419 8.419 7.676 0.743 17992 7093 1 13 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.338 0.400 17992 7094 1 13 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.181 -0.405 17992 7095 1 13 . 1 1 8 8 HIS CB C 8 29.344 29.344 27.909 1.435 17992 7096 1 13 . 1 1 8 8 HIS H H 8 8.686 8.686 8.155 0.531 17992 7097 1 13 . 1 1 9 9 ALA N N 9 124.079 124.079 125.218 -1.139 17992 7098 1 13 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.356 0.031 17992 7099 1 13 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.878 0.409 17992 7100 1 13 . 1 1 9 9 ALA CB C 9 19.175 19.175 19.839 -0.664 17992 7101 1 13 . 1 1 9 9 ALA H H 9 8.457 8.457 7.963 0.494 17992 7102 1 13 . 1 1 10 10 MET N N 10 120.430 120.430 119.343 1.087 17992 7103 1 13 . 1 1 10 10 MET HA H 10 4.390 4.390 4.260 0.130 17992 7104 1 13 . 1 1 10 10 MET CA C 10 57.753 57.753 58.669 -0.916 17992 7105 1 13 . 1 1 10 10 MET CB C 10 32.355 32.355 33.440 -1.085 17992 7106 1 13 . 1 1 10 10 MET H H 10 8.545 8.545 7.988 0.557 17992 7107 1 13 . 1 1 11 11 VAL N N 11 119.159 119.159 116.146 3.013 17992 7108 1 13 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.025 -0.009 17992 7109 1 13 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.242 1.030 17992 7110 1 13 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.791 -0.180 17992 7111 1 13 . 1 1 11 11 VAL H H 11 8.339 8.339 8.178 0.161 17992 7112 1 13 . 1 1 12 12 ILE N N 12 119.461 119.461 119.068 0.393 17992 7113 1 13 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.930 0.023 17992 7114 1 13 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.128 1.206 17992 7115 1 13 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.664 -1.168 17992 7116 1 13 . 1 1 12 12 ILE H H 12 7.705 7.705 8.000 -0.295 17992 7117 1 13 . 1 1 13 13 ASP N N 13 119.460 119.460 120.041 -0.581 17992 7118 1 13 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.428 -0.044 17992 7119 1 13 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.593 0.931 17992 7120 1 13 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.897 -1.484 17992 7121 1 13 . 1 1 13 13 ASP H H 13 8.172 8.172 7.806 0.366 17992 7122 1 13 . 1 1 14 14 HIS N N 14 116.421 116.421 117.512 -1.091 17992 7123 1 13 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.476 0.064 17992 7124 1 13 . 1 1 14 14 HIS CA C 14 58.748 58.748 59.079 -0.331 17992 7125 1 13 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.271 -1.619 17992 7126 1 13 . 1 1 14 14 HIS H H 14 8.138 8.138 7.902 0.236 17992 7127 1 13 . 1 1 15 15 ILE N N 15 119.970 119.970 119.826 0.144 17992 7128 1 13 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.703 0.105 17992 7129 1 13 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.469 0.936 17992 7130 1 13 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.657 0.130 17992 7131 1 13 . 1 1 15 15 ILE H H 15 8.224 8.224 7.524 0.700 17992 7132 1 13 . 1 1 16 16 LEU N N 16 118.635 118.635 122.046 -3.411 17992 7133 1 13 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.386 0.606 17992 7134 1 13 . 1 1 16 16 LEU CA C 16 58.786 58.786 59.022 -0.236 17992 7135 1 13 . 1 1 16 16 LEU H H 16 8.480 8.480 7.609 0.871 17992 7136 1 13 . 1 1 17 17 LYS N N 17 118.257 118.257 117.527 0.730 17992 7137 1 13 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.045 0.049 17992 7138 1 13 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.047 0.835 17992 7139 1 13 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.877 0.339 17992 7140 1 13 . 1 1 17 17 LYS H H 17 8.098 8.098 7.921 0.177 17992 7141 1 13 . 1 1 18 18 CYS N N 18 117.220 117.220 118.819 -1.599 17992 7142 1 13 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.277 0.052 17992 7143 1 13 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.856 0.362 17992 7144 1 13 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.533 -0.711 17992 7145 1 13 . 1 1 18 18 CYS H H 18 7.899 7.899 7.823 0.076 17992 7146 1 13 . 1 1 19 19 VAL N N 19 118.929 118.929 119.890 -0.961 17992 7147 1 13 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.958 -0.233 17992 7148 1 13 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.305 1.775 17992 7149 1 13 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.136 -0.079 17992 7150 1 13 . 1 1 19 19 VAL H H 19 8.352 8.352 7.725 0.627 17992 7151 1 13 . 1 1 20 20 PHE N N 20 120.244 120.244 119.323 0.921 17992 7152 1 13 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.347 -0.073 17992 7153 1 13 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.266 2.360 17992 7154 1 13 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.204 -0.124 17992 7155 1 13 . 1 1 20 20 PHE H H 20 8.791 8.791 8.812 -0.021 17992 7156 1 13 . 1 1 21 21 ASP N N 21 118.761 118.761 120.403 -1.642 17992 7157 1 13 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.419 -0.056 17992 7158 1 13 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.342 0.175 17992 7159 1 13 . 1 1 21 21 ASP CB C 21 40.068 40.068 41.083 -1.015 17992 7160 1 13 . 1 1 21 21 ASP H H 21 8.705 8.705 7.820 0.885 17992 7161 1 13 . 1 1 22 22 LYS N N 22 118.200 118.200 119.686 -1.486 17992 7162 1 13 . 1 1 22 22 LYS HA H 22 4.194 4.194 3.928 0.266 17992 7163 1 13 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.103 -0.510 17992 7164 1 13 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.193 0.106 17992 7165 1 13 . 1 1 22 22 LYS H H 22 7.810 7.810 7.562 0.248 17992 7166 1 13 . 1 1 23 23 ILE N N 23 118.534 118.534 119.296 -0.762 17992 7167 1 13 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.610 0.171 17992 7168 1 13 . 1 1 23 23 ILE CA C 23 65.096 65.096 65.098 -0.002 17992 7169 1 13 . 1 1 23 23 ILE H H 23 8.351 8.351 7.658 0.693 17992 7170 1 13 . 1 1 24 24 CYS N N 24 117.155 117.155 115.082 2.073 17992 7171 1 13 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.251 -0.202 17992 7172 1 13 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.372 1.127 17992 7173 1 13 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.374 -0.748 17992 7174 1 13 . 1 1 24 24 CYS H H 24 8.203 8.203 7.966 0.237 17992 7175 1 13 . 1 1 25 25 LYS N N 25 119.995 119.995 121.547 -1.552 17992 7176 1 13 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.217 -0.455 17992 7177 1 13 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.691 -0.307 17992 7178 1 13 . 1 1 25 25 LYS H H 25 7.760 7.760 7.637 0.123 17992 7179 1 13 . 1 1 26 26 ILE N N 26 119.168 119.168 118.466 0.702 17992 7180 1 13 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.864 0.110 17992 7181 1 13 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.450 1.656 17992 7182 1 13 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.821 -0.265 17992 7183 1 13 . 1 1 26 26 ILE H H 26 8.055 8.055 8.395 -0.340 17992 7184 1 13 . 1 1 27 27 GLY N N 27 108.257 108.257 106.786 1.471 17992 7185 1 13 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.188 -0.199 17992 7186 1 13 . 1 1 27 27 GLY H H 27 8.568 8.568 7.585 0.983 17992 7187 1 13 . 1 1 28 28 THR N N 28 112.727 112.727 114.435 -1.708 17992 7188 1 13 . 1 1 28 28 THR HA H 28 3.912 3.912 4.285 -0.373 17992 7189 1 13 . 1 1 28 28 THR CA C 28 64.717 64.717 63.753 0.964 17992 7190 1 13 . 1 1 28 28 THR CB C 28 69.375 69.375 68.674 0.701 17992 7191 1 13 . 1 1 28 28 THR H H 28 8.059 8.059 7.383 0.676 17992 7192 1 13 . 1 1 29 29 GLU N N 29 120.068 120.068 121.224 -1.156 17992 7193 1 13 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.518 -1.914 17992 7194 1 13 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.174 -0.080 17992 7195 1 13 . 1 1 29 29 GLU H H 29 8.113 8.113 7.863 0.250 17992 7196 1 13 . 1 1 30 30 SER N N 30 114.882 114.882 114.204 0.678 17992 7197 1 13 . 1 1 30 30 SER HA H 30 4.374 4.374 3.976 0.398 17992 7198 1 13 . 1 1 30 30 SER CA C 30 60.353 60.353 60.952 -0.599 17992 7199 1 13 . 1 1 30 30 SER H H 30 8.060 8.060 7.567 0.493 17992 7200 1 13 . 1 1 31 31 VAL N N 31 122.098 122.098 121.863 0.235 17992 7201 1 13 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.812 0.205 17992 7202 1 13 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.782 -1.155 17992 7203 1 13 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.438 0.547 17992 7204 1 13 . 1 1 31 31 VAL H H 31 8.127 8.127 7.699 0.428 17992 7205 1 13 . 1 1 32 32 GLU N N 32 120.280 120.280 120.017 0.263 17992 7206 1 13 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.124 0.194 17992 7207 1 13 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.219 -1.332 17992 7208 1 13 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.190 -0.537 17992 7209 1 13 . 1 1 32 32 GLU H H 32 8.243 8.243 7.549 0.694 17992 7210 1 13 . 1 1 33 33 ALA N N 33 121.715 121.715 121.608 0.107 17992 7211 1 13 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.938 0.251 17992 7212 1 13 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.585 0.139 17992 7213 1 13 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.646 1.082 17992 7214 1 13 . 1 1 33 33 ALA H H 33 8.218 8.218 7.379 0.839 17992 7215 1 13 . 1 1 34 34 GLY N N 34 104.656 104.656 105.527 -0.871 17992 7216 1 13 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.706 0.368 17992 7217 1 13 . 1 1 34 34 GLY H H 34 8.308 8.308 7.726 0.582 17992 7218 1 13 . 1 1 35 35 ARG N N 35 119.958 119.958 120.108 -0.150 17992 7219 1 13 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.341 -0.065 17992 7220 1 13 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.430 1.595 17992 7221 1 13 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.506 0.783 17992 7222 1 13 . 1 1 35 35 ARG H H 35 7.975 7.975 7.594 0.381 17992 7223 1 13 . 1 1 36 36 LEU N N 36 118.931 118.931 121.329 -2.398 17992 7224 1 13 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.189 0.035 17992 7225 1 13 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.399 0.404 17992 7226 1 13 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.286 0.907 17992 7227 1 13 . 1 1 36 36 LEU H H 36 7.958 7.958 8.320 -0.362 17992 7228 1 13 . 1 1 37 37 ILE N N 37 118.087 118.087 119.761 -1.674 17992 7229 1 13 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.746 0.185 17992 7230 1 13 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.642 0.217 17992 7231 1 13 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.657 0.382 17992 7232 1 13 . 1 1 37 37 ILE H H 37 7.904 7.904 8.103 -0.199 17992 7233 1 13 . 1 1 38 38 GLU N N 38 120.989 120.989 119.844 1.145 17992 7234 1 13 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.966 0.265 17992 7235 1 13 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.726 -1.281 17992 7236 1 13 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.422 -0.411 17992 7237 1 13 . 1 1 38 38 GLU H H 38 8.041 8.041 7.566 0.475 17992 7238 1 13 . 1 1 39 39 LEU N N 39 120.111 120.111 119.207 0.904 17992 7239 1 13 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.085 0.186 17992 7240 1 13 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.438 -0.027 17992 7241 1 13 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.395 0.900 17992 7242 1 13 . 1 1 39 39 LEU H H 39 8.173 8.173 7.728 0.445 17992 7243 1 13 . 1 1 40 40 SER N N 40 113.806 113.806 112.639 1.167 17992 7244 1 13 . 1 1 40 40 SER HA H 40 4.312 4.312 4.185 0.127 17992 7245 1 13 . 1 1 40 40 SER CA C 40 60.406 60.406 60.922 -0.516 17992 7246 1 13 . 1 1 40 40 SER CB C 40 63.646 63.646 63.173 0.472 17992 7247 1 13 . 1 1 40 40 SER H H 40 8.031 8.031 7.590 0.441 17992 7248 1 13 . 1 1 41 41 GLN N N 41 120.139 120.139 118.171 1.968 17992 7249 1 13 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.315 0.081 17992 7250 1 13 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.098 -0.497 17992 7251 1 13 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.683 -0.298 17992 7252 1 13 . 1 1 41 41 GLN H H 41 7.956 7.956 7.727 0.229 17992 7253 1 13 . 1 1 42 42 GLU N N 42 119.728 119.728 116.353 3.375 17992 7254 1 13 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.316 0.057 17992 7255 1 13 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.863 0.226 17992 7256 1 13 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.284 -1.929 17992 7257 1 13 . 1 1 42 42 GLU H H 42 8.114 8.114 8.531 -0.417 17992 7258 1 13 . 1 1 43 43 GLY N N 43 108.655 108.655 108.713 -0.058 17992 7259 1 13 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.451 0.172 17992 7260 1 13 . 1 1 43 43 GLY H H 43 8.325 8.325 8.220 0.105 17992 7261 1 13 . 1 1 44 44 GLY N N 44 107.872 107.872 108.189 -0.317 17992 7262 1 13 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.885 0.602 17992 7263 1 13 . 1 1 44 44 GLY H H 44 8.105 8.105 7.761 0.344 17992 7264 1 13 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.549 1.846 17992 7265 1 13 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.499 -0.030 17992 7266 1 13 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.466 0.964 17992 7267 1 13 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.971 0.350 17992 7268 1 13 . 1 1 50 50 LEU N N 50 116.864 116.864 118.558 -1.694 17992 7269 1 13 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.205 -0.003 17992 7270 1 13 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.683 -0.134 17992 7271 1 13 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.544 0.155 17992 7272 1 13 . 1 1 50 50 LEU H H 50 8.336 8.336 8.052 0.284 17992 7273 1 13 . 1 1 51 51 TYR N N 51 118.433 118.433 120.507 -2.074 17992 7274 1 13 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.130 0.035 17992 7275 1 13 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.063 -0.029 17992 7276 1 13 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.428 0.056 17992 7277 1 13 . 1 1 51 51 TYR H H 51 7.765 7.765 7.756 0.009 17992 7278 1 13 . 1 1 52 52 PHE N N 52 117.945 117.945 120.058 -2.113 17992 7279 1 13 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.804 0.456 17992 7280 1 13 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.375 -0.124 17992 7281 1 13 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.245 0.074 17992 7282 1 13 . 1 1 52 52 PHE H H 52 7.873 7.873 7.810 0.063 17992 7283 1 13 . 1 1 53 53 VAL N N 53 117.468 117.468 118.393 -0.925 17992 7284 1 13 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.377 0.276 17992 7285 1 13 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.925 0.373 17992 7286 1 13 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.332 0.478 17992 7287 1 13 . 1 1 53 53 VAL H H 53 7.864 7.864 7.596 0.268 17992 7288 1 13 . 1 1 54 54 VAL N N 54 116.929 116.929 121.065 -4.136 17992 7289 1 13 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.638 0.064 17992 7290 1 13 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.434 -0.367 17992 7291 1 13 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.559 0.242 17992 7292 1 13 . 1 1 54 54 VAL H H 54 7.958 7.958 8.117 -0.159 17992 7293 1 13 . 1 1 55 55 ASN N N 55 115.543 115.543 116.326 -0.783 17992 7294 1 13 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.643 -0.013 17992 7295 1 13 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.015 0.445 17992 7296 1 13 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.197 0.732 17992 7297 1 13 . 1 1 55 55 ASN H H 55 7.823 7.823 7.869 -0.046 17992 7298 1 13 . 1 1 56 56 VAL N N 56 116.125 116.125 119.828 -3.703 17992 7299 1 13 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.743 0.354 17992 7300 1 13 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.091 -0.952 17992 7301 1 13 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.946 0.057 17992 7302 1 13 . 1 1 56 56 VAL H H 56 7.664 7.664 7.306 0.358 17992 7303 1 13 . 1 1 57 57 ILE N N 57 116.872 116.872 118.687 -1.815 17992 7304 1 13 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.793 0.216 17992 7305 1 13 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.787 0.763 17992 7306 1 13 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.654 1.109 17992 7307 1 13 . 1 1 57 57 ILE H H 57 7.587 7.587 7.929 -0.342 17992 7308 1 13 . 1 1 58 58 GLU N N 58 118.190 118.190 120.638 -2.448 17992 7309 1 13 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.078 0.121 17992 7310 1 13 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.803 -1.498 17992 7311 1 13 . 1 1 58 58 GLU H H 58 8.114 8.114 7.724 0.390 17992 7312 1 13 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.353 0.156 17992 7313 1 13 . 1 1 59 59 PRO CA C 59 65.562 65.562 64.988 0.574 17992 7314 1 13 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.285 0.181 17992 7315 1 13 . 1 1 60 60 CYS N N 60 115.035 115.035 118.245 -3.210 17992 7316 1 13 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.166 0.102 17992 7317 1 13 . 1 1 60 60 CYS CA C 60 62.113 62.113 61.786 0.327 17992 7318 1 13 . 1 1 60 60 CYS CB C 60 26.990 26.990 26.914 0.076 17992 7319 1 13 . 1 1 60 60 CYS H H 60 7.913 7.913 7.594 0.319 17992 7320 1 13 . 1 1 61 61 LYS N N 61 121.184 121.184 120.405 0.779 17992 7321 1 13 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.877 0.395 17992 7322 1 13 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.073 -0.984 17992 7323 1 13 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.152 0.276 17992 7324 1 13 . 1 1 61 61 LYS H H 61 8.197 8.197 8.003 0.194 17992 7325 1 13 . 1 1 62 62 LYS N N 62 118.253 118.253 116.946 1.307 17992 7326 1 13 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.258 -1.414 17992 7327 1 13 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.437 -0.347 17992 7328 1 13 . 1 1 62 62 LYS H H 62 7.982 7.982 8.109 -0.127 17992 7329 1 13 . 1 1 63 63 PHE N N 63 118.763 118.763 116.049 2.714 17992 7330 1 13 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.490 -0.235 17992 7331 1 13 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.191 1.343 17992 7332 1 13 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.725 -0.575 17992 7333 1 13 . 1 1 63 63 PHE H H 63 8.155 8.155 7.464 0.691 17992 7334 1 13 . 1 1 64 64 SER N N 64 114.881 114.881 117.374 -2.493 17992 7335 1 13 . 1 1 64 64 SER HA H 64 4.268 4.268 3.908 0.360 17992 7336 1 13 . 1 1 64 64 SER CA C 64 61.588 61.588 61.879 -0.291 17992 7337 1 13 . 1 1 64 64 SER CB C 64 63.175 63.175 62.885 0.290 17992 7338 1 13 . 1 1 64 64 SER H H 64 8.218 8.218 8.019 0.199 17992 7339 1 13 . 1 1 65 65 GLU N N 65 120.937 120.937 120.807 0.130 17992 7340 1 13 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.092 0.192 17992 7341 1 13 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.730 -0.520 17992 7342 1 13 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.394 -0.432 17992 7343 1 13 . 1 1 65 65 GLU H H 65 8.067 8.067 7.787 0.280 17992 7344 1 13 . 1 1 66 66 LEU N N 66 118.904 118.904 119.056 -0.152 17992 7345 1 13 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.078 0.185 17992 7346 1 13 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.031 0.191 17992 7347 1 13 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.597 0.728 17992 7348 1 13 . 1 1 66 66 LEU H H 66 8.003 8.003 7.734 0.269 17992 7349 1 13 . 1 1 67 67 THR N N 67 108.190 108.190 113.440 -5.250 17992 7350 1 13 . 1 1 67 67 THR HA H 67 4.043 4.043 3.986 0.057 17992 7351 1 13 . 1 1 67 67 THR CA C 67 64.579 64.579 66.347 -1.768 17992 7352 1 13 . 1 1 67 67 THR CB C 67 69.410 69.410 67.912 1.498 17992 7353 1 13 . 1 1 67 67 THR H H 67 7.783 7.783 7.295 0.488 17992 7354 1 13 . 1 1 68 68 GLY N N 68 108.141 108.141 107.362 0.779 17992 7355 1 13 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.403 0.841 17992 7356 1 13 . 1 1 68 68 GLY H H 68 7.964 7.964 7.541 0.423 17992 7357 1 13 . 1 1 69 69 LEU N N 69 120.124 120.124 121.074 -0.950 17992 7358 1 13 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.611 -0.259 17992 7359 1 13 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.936 0.550 17992 7360 1 13 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.577 -0.203 17992 7361 1 13 . 1 1 69 69 LEU H H 69 7.749 7.749 7.540 0.209 17992 7362 1 13 . 1 1 70 70 VAL N N 70 115.546 115.546 117.937 -2.391 17992 7363 1 13 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.942 -0.007 17992 7364 1 13 . 1 1 70 70 VAL CA C 70 63.630 63.630 65.043 -1.413 17992 7365 1 13 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.285 -0.021 17992 7366 1 13 . 1 1 70 70 VAL H H 70 7.607 7.607 7.606 0.001 17992 7367 1 13 . 1 1 71 71 PHE N N 71 119.035 119.035 116.607 2.428 17992 7368 1 13 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.442 0.116 17992 7369 1 13 . 1 1 71 71 PHE CA C 71 58.547 58.547 58.570 -0.023 17992 7370 1 13 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.276 0.024 17992 7371 1 13 . 1 1 71 71 PHE H H 71 7.618 7.618 8.147 -0.529 17992 7372 1 13 . 1 1 72 72 TYR N N 72 118.365 118.365 117.990 0.375 17992 7373 1 13 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.636 -0.057 17992 7374 1 13 . 1 1 72 72 TYR CA C 72 58.097 58.097 58.896 -0.799 17992 7375 1 13 . 1 1 72 72 TYR CB C 72 39.244 39.244 41.168 -1.924 17992 7376 1 13 . 1 1 72 72 TYR H H 72 7.740 7.740 7.588 0.152 17992 7377 1 13 . 1 1 73 73 LEU N N 73 121.184 121.184 122.886 -1.702 17992 7378 1 13 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.863 -0.288 17992 7379 1 13 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.514 2.035 17992 7380 1 13 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.193 -1.111 17992 7381 1 13 . 1 1 73 73 LEU H H 73 7.713 7.713 8.065 -0.352 17992 7382 1 13 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.585 0.053 17992 7383 1 13 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.929 0.274 17992 7384 1 13 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.294 -0.613 17992 7385 1 13 . 1 1 75 75 THR N N 75 113.231 113.231 115.405 -2.174 17992 7386 1 13 . 1 1 75 75 THR HA H 75 4.339 4.339 4.466 -0.127 17992 7387 1 13 . 1 1 75 75 THR CA C 75 62.684 62.684 62.673 0.011 17992 7388 1 13 . 1 1 75 75 THR H H 75 8.217 8.217 8.222 -0.005 17992 7389 1 13 . 1 1 76 76 ASP N N 76 120.892 120.892 118.342 2.550 17992 7390 1 13 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.631 0.159 17992 7391 1 13 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.346 0.893 17992 7392 1 13 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.972 -1.657 17992 7393 1 13 . 1 1 76 76 ASP H H 76 8.406 8.406 7.620 0.786 17992 7394 1 13 . 1 1 77 77 SER N N 77 115.861 115.861 114.702 1.159 17992 7395 1 13 . 1 1 77 77 SER HA H 77 4.345 4.345 4.252 0.093 17992 7396 1 13 . 1 1 77 77 SER CA C 77 60.528 60.528 59.445 1.083 17992 7397 1 13 . 1 1 77 77 SER CB C 77 63.812 63.812 63.554 0.258 17992 7398 1 13 . 1 1 77 77 SER H H 77 8.238 8.238 8.513 -0.275 17992 7399 1 13 . 1 1 78 78 GLY N N 78 110.440 110.440 106.470 3.970 17992 7400 1 13 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.227 1.427 17992 7401 1 13 . 1 1 78 78 GLY H H 78 8.570 8.570 7.613 0.957 17992 7402 1 13 . 1 1 79 79 GLU N N 79 121.242 121.242 122.045 -0.803 17992 7403 1 13 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.177 0.143 17992 7404 1 13 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.443 -1.425 17992 7405 1 13 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.602 -0.520 17992 7406 1 13 . 1 1 79 79 GLU H H 79 8.237 8.237 8.489 -0.252 17992 7407 1 13 . 1 1 80 80 LYS N N 80 119.708 119.708 118.627 1.081 17992 7408 1 13 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.250 0.069 17992 7409 1 13 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.195 -0.314 17992 7410 1 13 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.849 0.897 17992 7411 1 13 . 1 1 80 80 LYS H H 80 8.252 8.252 8.521 -0.269 17992 7412 1 13 . 1 1 81 81 MET N N 81 119.849 119.849 117.738 2.111 17992 7413 1 13 . 1 1 81 81 MET HA H 81 4.367 4.367 4.441 -0.074 17992 7414 1 13 . 1 1 81 81 MET CA C 81 57.845 57.845 58.709 -0.864 17992 7415 1 13 . 1 1 81 81 MET CB C 81 32.658 32.658 32.563 0.095 17992 7416 1 13 . 1 1 81 81 MET H H 81 8.419 8.419 7.686 0.733 17992 7417 1 13 . 1 1 82 82 THR N N 82 114.947 114.947 114.373 0.574 17992 7418 1 13 . 1 1 82 82 THR HA H 82 4.132 4.132 3.968 0.164 17992 7419 1 13 . 1 1 82 82 THR CA C 82 65.377 65.377 66.377 -1.000 17992 7420 1 13 . 1 1 82 82 THR CB C 82 69.035 69.035 68.578 0.457 17992 7421 1 13 . 1 1 82 82 THR H H 82 8.115 8.115 8.234 -0.119 17992 7422 1 13 . 1 1 83 83 GLU N N 83 121.416 121.416 118.756 2.660 17992 7423 1 13 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.366 0.007 17992 7424 1 13 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.123 -0.059 17992 7425 1 13 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.582 -0.640 17992 7426 1 13 . 1 1 83 83 GLU H H 83 8.336 8.336 7.810 0.526 17992 7427 1 13 . 1 1 84 84 SER N N 84 115.783 115.783 115.353 0.430 17992 7428 1 13 . 1 1 84 84 SER HA H 84 4.278 4.278 4.550 -0.272 17992 7429 1 13 . 1 1 84 84 SER CA C 84 61.685 61.685 60.733 0.952 17992 7430 1 13 . 1 1 84 84 SER H H 84 8.191 8.191 8.064 0.127 17992 7431 1 13 . 1 1 85 85 LYS N N 85 121.318 121.318 122.086 -0.768 17992 7432 1 13 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.105 -0.020 17992 7433 1 13 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.027 0.761 17992 7434 1 13 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.636 -0.206 17992 7435 1 13 . 1 1 85 85 LYS H H 85 8.113 8.113 7.819 0.294 17992 7436 1 13 . 1 1 86 86 SER N N 86 115.042 115.042 115.203 -0.161 17992 7437 1 13 . 1 1 86 86 SER HA H 86 4.389 4.389 4.273 0.116 17992 7438 1 13 . 1 1 86 86 SER CA C 86 61.437 61.437 61.616 -0.179 17992 7439 1 13 . 1 1 86 86 SER CB C 86 63.116 63.116 62.636 0.480 17992 7440 1 13 . 1 1 86 86 SER H H 86 8.066 8.066 7.743 0.323 17992 7441 1 13 . 1 1 87 87 VAL N N 87 122.920 122.920 121.677 1.243 17992 7442 1 13 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.849 0.531 17992 7443 1 13 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.803 0.320 17992 7444 1 13 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.713 -0.334 17992 7445 1 13 . 1 1 87 87 VAL H H 87 8.103 8.103 7.742 0.361 17992 7446 1 13 . 1 1 88 88 LEU N N 88 119.501 119.501 118.775 0.726 17992 7447 1 13 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.005 0.117 17992 7448 1 13 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.070 0.836 17992 7449 1 13 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.331 0.613 17992 7450 1 13 . 1 1 88 88 LEU H H 88 8.146 8.146 7.451 0.695 17992 7451 1 13 . 1 1 89 89 LYS N N 89 120.285 120.285 119.027 1.258 17992 7452 1 13 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.006 0.089 17992 7453 1 13 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.897 -0.010 17992 7454 1 13 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.450 -0.223 17992 7455 1 13 . 1 1 89 89 LYS H H 89 8.245 8.245 8.337 -0.092 17992 7456 1 13 . 1 1 90 90 SER N N 90 115.131 115.131 113.823 1.308 17992 7457 1 13 . 1 1 90 90 SER HA H 90 4.362 4.362 4.323 0.039 17992 7458 1 13 . 1 1 90 90 SER CA C 90 61.815 61.815 60.288 1.528 17992 7459 1 13 . 1 1 90 90 SER H H 90 8.037 8.037 7.702 0.335 17992 7460 1 13 . 1 1 91 91 LEU N N 91 120.855 120.855 121.689 -0.834 17992 7461 1 13 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.248 -0.100 17992 7462 1 13 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.324 1.089 17992 7463 1 13 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.741 0.434 17992 7464 1 13 . 1 1 91 91 LEU H H 91 8.445 8.445 7.272 1.173 17992 7465 1 13 . 1 1 92 92 THR N N 92 112.933 112.933 115.077 -2.144 17992 7466 1 13 . 1 1 92 92 THR HA H 92 3.904 3.904 3.864 0.040 17992 7467 1 13 . 1 1 92 92 THR CA C 92 67.390 67.390 66.996 0.394 17992 7468 1 13 . 1 1 92 92 THR CB C 92 69.367 69.367 68.612 0.755 17992 7469 1 13 . 1 1 92 92 THR H H 92 8.383 8.383 7.829 0.554 17992 7470 1 13 . 1 1 93 93 GLU N N 93 120.387 120.387 119.999 0.388 17992 7471 1 13 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.397 0.090 17992 7472 1 13 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.500 -0.355 17992 7473 1 13 . 1 1 93 93 GLU H H 93 7.971 7.971 8.113 -0.142 17992 7474 1 13 . 1 1 94 94 LYS N N 94 118.470 118.470 117.463 1.007 17992 7475 1 13 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.218 -0.052 17992 7476 1 13 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.963 1.083 17992 7477 1 13 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.513 -0.166 17992 7478 1 13 . 1 1 94 94 LYS H H 94 7.804 7.804 7.799 0.005 17992 7479 1 13 . 1 1 95 95 LEU N N 95 118.397 118.397 120.580 -2.183 17992 7480 1 13 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.337 -0.178 17992 7481 1 13 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.405 1.472 17992 7482 1 13 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.083 -0.133 17992 7483 1 13 . 1 1 95 95 LEU H H 95 8.256 8.256 7.284 0.972 17992 7484 1 13 . 1 1 96 96 LYS N N 96 117.747 117.747 120.005 -2.258 17992 7485 1 13 . 1 1 96 96 LYS HA H 96 3.940 3.940 3.989 -0.049 17992 7486 1 13 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.876 0.406 17992 7487 1 13 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.073 0.276 17992 7488 1 13 . 1 1 96 96 LYS H H 96 8.105 8.105 8.215 -0.110 17992 7489 1 13 . 1 1 97 97 LYS N N 97 116.451 116.451 119.558 -3.107 17992 7490 1 13 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.163 0.004 17992 7491 1 13 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.712 0.830 17992 7492 1 13 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.935 0.216 17992 7493 1 13 . 1 1 97 97 LYS H H 97 7.520 7.520 7.696 -0.176 17992 7494 1 13 . 1 1 98 98 ILE N N 98 117.587 117.587 122.566 -4.979 17992 7495 1 13 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.822 0.108 17992 7496 1 13 . 1 1 98 98 ILE CA C 98 64.299 64.299 64.025 0.274 17992 7497 1 13 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.132 -0.383 17992 7498 1 13 . 1 1 98 98 ILE H H 98 7.782 7.782 7.709 0.073 17992 7499 1 13 . 1 1 99 99 VAL N N 99 116.989 116.989 120.384 -3.395 17992 7500 1 13 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.659 0.166 17992 7501 1 13 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.071 0.892 17992 7502 1 13 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.765 -0.283 17992 7503 1 13 . 1 1 99 99 VAL H H 99 7.917 7.917 7.507 0.410 17992 7504 1 13 . 1 1 100 100 GLU N N 100 116.782 116.782 119.120 -2.338 17992 7505 1 13 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.228 -0.015 17992 7506 1 13 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.922 0.052 17992 7507 1 13 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.368 -1.445 17992 7508 1 13 . 1 1 100 100 GLU H H 100 7.702 7.702 8.213 -0.511 17992 7509 1 13 . 1 1 101 101 LEU N N 101 118.218 118.218 119.237 -1.019 17992 7510 1 13 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.449 -0.294 17992 7511 1 13 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.243 -0.507 17992 7512 1 13 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.533 -1.494 17992 7513 1 13 . 1 1 101 101 LEU H H 101 7.751 7.751 7.799 -0.048 17992 7514 1 13 . 1 1 102 102 ILE N N 102 119.412 119.412 118.206 1.206 17992 7515 1 13 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.632 -0.905 17992 7516 1 13 . 1 1 102 102 ILE CA C 102 61.809 61.809 56.989 4.820 17992 7517 1 13 . 1 1 102 102 ILE H H 102 7.559 7.559 7.847 -0.288 17992 7518 1 13 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.670 -0.083 17992 7519 1 13 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.631 1.658 17992 7520 1 13 . 1 1 103 103 PRO CB C 103 31.886 31.886 33.071 -1.185 17992 7521 1 13 . 1 1 104 104 SER N N 104 112.794 112.794 112.377 0.417 17992 7522 1 13 . 1 1 104 104 SER HA H 104 4.571 4.571 4.860 -0.289 17992 7523 1 13 . 1 1 104 104 SER CA C 104 59.286 59.286 56.792 2.494 17992 7524 1 13 . 1 1 104 104 SER CB C 104 63.849 63.849 65.445 -1.596 17992 7525 1 13 . 1 1 104 104 SER H H 104 8.100 8.100 8.076 0.024 17992 7526 1 13 . 1 1 105 105 THR N N 105 114.655 114.655 111.344 3.311 17992 7527 1 13 . 1 1 105 105 THR HA H 105 4.318 4.318 4.521 -0.203 17992 7528 1 13 . 1 1 105 105 THR CA C 105 64.056 64.056 60.762 3.294 17992 7529 1 13 . 1 1 105 105 THR CB C 105 69.861 69.861 70.212 -0.351 17992 7530 1 13 . 1 1 105 105 THR H H 105 8.186 8.186 8.350 -0.164 17992 7531 1 13 . 1 1 106 106 SER N N 106 116.165 116.165 114.748 1.417 17992 7532 1 13 . 1 1 106 106 SER HA H 106 4.344 4.344 4.477 -0.133 17992 7533 1 13 . 1 1 106 106 SER CA C 106 60.864 60.864 60.003 0.861 17992 7534 1 13 . 1 1 106 106 SER CB C 106 63.462 63.462 63.047 0.415 17992 7535 1 13 . 1 1 106 106 SER H H 106 8.200 8.200 8.696 -0.496 17992 7536 1 13 . 1 1 107 107 SER N N 107 116.732 116.732 117.034 -0.302 17992 7537 1 13 . 1 1 107 107 SER HA H 107 4.413 4.413 4.563 -0.150 17992 7538 1 13 . 1 1 107 107 SER CA C 107 60.051 60.051 59.381 0.670 17992 7539 1 13 . 1 1 107 107 SER CB C 107 63.921 63.921 63.923 -0.002 17992 7540 1 13 . 1 1 107 107 SER H H 107 8.114 8.114 7.574 0.540 17992 7541 1 13 . 1 1 108 108 ALA N N 108 122.523 122.523 124.420 -1.897 17992 7542 1 13 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.366 0.068 17992 7543 1 13 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.293 -0.811 17992 7544 1 13 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.326 1.005 17992 7545 1 13 . 1 1 108 108 ALA H H 108 8.022 8.022 7.976 0.046 17992 7546 1 13 . 1 1 109 109 VAL N N 109 117.146 117.146 121.295 -4.149 17992 7547 1 13 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.886 -0.098 17992 7548 1 13 . 1 1 109 109 VAL CA C 109 66.835 66.835 67.808 -0.973 17992 7549 1 13 . 1 1 109 109 VAL H H 109 7.829 7.829 7.573 0.256 17992 7550 1 13 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.325 0.155 17992 7551 1 13 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.414 0.031 17992 7552 1 13 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.325 0.054 17992 7553 1 13 . 1 1 111 111 LEU N N 111 117.393 117.393 119.842 -2.449 17992 7554 1 13 . 1 1 111 111 LEU HA H 111 4.213 4.213 3.972 0.241 17992 7555 1 13 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.934 -0.152 17992 7556 1 13 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.203 0.245 17992 7557 1 13 . 1 1 111 111 LEU H H 111 7.538 7.538 7.123 0.415 17992 7558 1 13 . 1 1 112 112 ILE N N 112 117.001 117.001 119.282 -2.281 17992 7559 1 13 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.060 -0.059 17992 7560 1 13 . 1 1 112 112 ILE CA C 112 64.626 64.626 62.684 1.942 17992 7561 1 13 . 1 1 112 112 ILE H H 112 8.118 8.118 8.514 -0.396 17992 7562 1 13 . 1 1 113 113 GLY N N 113 106.840 106.840 106.540 0.300 17992 7563 1 13 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.090 0.682 17992 7564 1 13 . 1 1 113 113 GLY H H 113 8.409 8.409 8.179 0.230 17992 7565 1 13 . 1 1 114 114 LYS N N 114 120.736 120.736 121.961 -1.225 17992 7566 1 13 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.170 -0.050 17992 7567 1 13 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.520 0.618 17992 7568 1 13 . 1 1 114 114 LYS H H 114 7.847 7.847 7.356 0.491 17992 7569 1 13 . 1 1 115 115 TYR N N 115 117.055 117.055 119.653 -2.598 17992 7570 1 13 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.142 0.130 17992 7571 1 13 . 1 1 115 115 TYR CA C 115 60.430 60.430 61.263 -0.833 17992 7572 1 13 . 1 1 115 115 TYR H H 115 7.891 7.891 7.431 0.460 17992 7573 1 13 . 1 1 116 116 MET H H 116 8.170 8.170 8.112 0.058 17992 7574 1 13 . 1 1 117 117 LEU N N 117 117.768 117.768 119.317 -1.549 17992 7575 1 13 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.049 -0.140 17992 7576 1 13 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.649 0.945 17992 7577 1 13 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.795 -0.459 17992 7578 1 13 . 1 1 117 117 LEU H H 117 7.781 7.781 7.663 0.118 17992 7579 1 13 . 1 1 118 118 PHE N N 118 118.204 118.204 119.747 -1.543 17992 7580 1 13 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.003 0.425 17992 7581 1 13 . 1 1 118 118 PHE CA C 118 60.735 60.735 62.728 -1.993 17992 7582 1 13 . 1 1 118 118 PHE H H 118 8.024 8.024 8.400 -0.376 17992 7583 1 13 . 1 1 119 119 THR N N 119 114.941 114.941 114.404 0.537 17992 7584 1 13 . 1 1 119 119 THR HA H 119 3.972 3.972 4.042 -0.070 17992 7585 1 13 . 1 1 119 119 THR CA C 119 67.518 67.518 66.866 0.652 17992 7586 1 13 . 1 1 119 119 THR CB C 119 69.194 69.194 68.552 0.642 17992 7587 1 13 . 1 1 119 119 THR H H 119 8.171 8.171 7.970 0.201 17992 7588 1 13 . 1 1 120 120 LYS N N 120 121.758 121.758 120.975 0.783 17992 7589 1 13 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.997 -0.017 17992 7590 1 13 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.373 1.438 17992 7591 1 13 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.429 0.086 17992 7592 1 13 . 1 1 120 120 LYS H H 120 8.359 8.359 7.509 0.850 17992 7593 1 13 . 1 1 121 121 GLU N N 121 117.504 117.504 117.019 0.485 17992 7594 1 13 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.146 0.068 17992 7595 1 13 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.501 0.739 17992 7596 1 13 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.847 -1.464 17992 7597 1 13 . 1 1 121 121 GLU H H 121 8.222 8.222 7.940 0.282 17992 7598 1 13 . 1 1 122 122 PHE N N 122 121.586 121.586 120.410 1.176 17992 7599 1 13 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.403 -0.109 17992 7600 1 13 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.683 0.891 17992 7601 1 13 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.642 -0.283 17992 7602 1 13 . 1 1 122 122 PHE H H 122 8.562 8.562 7.879 0.683 17992 7603 1 13 . 1 1 123 123 VAL N N 123 121.558 121.558 118.960 2.598 17992 7604 1 13 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.801 -0.285 17992 7605 1 13 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.209 2.399 17992 7606 1 13 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.490 0.971 17992 7607 1 13 . 1 1 123 123 VAL H H 123 8.784 8.784 7.795 0.989 17992 7608 1 13 . 1 1 124 124 GLU N N 124 118.314 118.314 119.472 -1.158 17992 7609 1 13 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.085 -0.043 17992 7610 1 13 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.070 1.137 17992 7611 1 13 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.850 -0.425 17992 7612 1 13 . 1 1 124 124 GLU H H 124 8.564 8.564 7.738 0.826 17992 7613 1 13 . 1 1 125 125 SER N N 125 114.779 114.779 115.638 -0.859 17992 7614 1 13 . 1 1 125 125 SER HA H 125 4.265 4.265 4.099 0.166 17992 7615 1 13 . 1 1 125 125 SER CA C 125 62.342 62.342 61.134 1.208 17992 7616 1 13 . 1 1 125 125 SER CB C 125 63.162 63.162 62.686 0.476 17992 7617 1 13 . 1 1 125 125 SER H H 125 8.348 8.348 8.187 0.161 17992 7618 1 13 . 1 1 126 126 SER N N 126 118.464 118.464 117.310 1.154 17992 7619 1 13 . 1 1 126 126 SER HA H 126 4.069 4.069 4.374 -0.305 17992 7620 1 13 . 1 1 126 126 SER CA C 126 62.846 62.846 62.523 0.323 17992 7621 1 13 . 1 1 126 126 SER H H 126 8.144 8.144 7.727 0.417 17992 7622 1 13 . 1 1 127 127 ILE N N 127 124.705 124.705 121.638 3.067 17992 7623 1 13 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.107 -0.426 17992 7624 1 13 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.278 2.363 17992 7625 1 13 . 1 1 127 127 ILE CB C 127 38.034 38.034 38.225 -0.191 17992 7626 1 13 . 1 1 127 127 ILE H H 127 8.280 8.280 7.711 0.569 17992 7627 1 13 . 1 1 128 128 LYS N N 128 119.907 119.907 121.269 -1.362 17992 7628 1 13 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.865 0.020 17992 7629 1 13 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.263 -0.015 17992 7630 1 13 . 1 1 128 128 LYS H H 128 7.741 7.741 7.804 -0.063 17992 7631 1 13 . 1 1 129 129 ILE N N 129 118.807 118.807 117.696 1.111 17992 7632 1 13 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.749 0.358 17992 7633 1 13 . 1 1 129 129 ILE CA C 129 64.392 64.392 65.065 -0.673 17992 7634 1 13 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.205 -0.155 17992 7635 1 13 . 1 1 129 129 ILE H H 129 8.215 8.215 8.045 0.170 17992 7636 1 13 . 1 1 130 130 THR N N 130 117.328 117.328 113.601 3.727 17992 7637 1 13 . 1 1 130 130 THR HA H 130 3.921 3.921 3.924 -0.003 17992 7638 1 13 . 1 1 130 130 THR CA C 130 68.210 68.210 65.483 2.727 17992 7639 1 13 . 1 1 130 130 THR H H 130 7.988 7.988 7.733 0.255 17992 7640 1 13 . 1 1 131 131 GLU N N 131 118.968 118.968 121.818 -2.850 17992 7641 1 13 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.075 -0.097 17992 7642 1 13 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.629 0.971 17992 7643 1 13 . 1 1 131 131 GLU H H 131 8.439 8.439 8.024 0.415 17992 7644 1 13 . 1 1 132 132 GLU N N 132 118.712 118.712 118.460 0.252 17992 7645 1 13 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.310 -0.084 17992 7646 1 13 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.425 0.842 17992 7647 1 13 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.141 -1.522 17992 7648 1 13 . 1 1 132 132 GLU H H 132 7.987 7.987 7.901 0.086 17992 7649 1 13 . 1 1 133 133 VAL N N 133 120.060 120.060 120.542 -0.482 17992 7650 1 13 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.792 0.075 17992 7651 1 13 . 1 1 133 133 VAL CA C 133 66.330 66.330 65.634 0.696 17992 7652 1 13 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.968 0.188 17992 7653 1 13 . 1 1 133 133 VAL H H 133 8.341 8.341 7.556 0.785 17992 7654 1 13 . 1 1 134 134 ILE N N 134 119.699 119.699 115.789 3.910 17992 7655 1 13 . 1 1 134 134 ILE HA H 134 3.860 3.860 4.022 -0.162 17992 7656 1 13 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.218 1.966 17992 7657 1 13 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.388 0.514 17992 7658 1 13 . 1 1 134 134 ILE H H 134 8.331 8.331 7.475 0.856 17992 7659 1 13 . 1 1 135 135 ASN N N 135 117.396 117.396 117.851 -0.455 17992 7660 1 13 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.460 0.215 17992 7661 1 13 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.242 -0.737 17992 7662 1 13 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.335 0.792 17992 7663 1 13 . 1 1 135 135 ASN H H 135 8.318 8.318 8.150 0.168 17992 7664 1 13 . 1 1 136 136 THR N N 136 111.419 111.419 113.304 -1.885 17992 7665 1 13 . 1 1 136 136 THR HA H 136 4.308 4.308 4.379 -0.071 17992 7666 1 13 . 1 1 136 136 THR CA C 136 63.872 63.872 65.945 -2.073 17992 7667 1 13 . 1 1 136 136 THR CB C 136 69.779 69.779 69.400 0.379 17992 7668 1 13 . 1 1 136 136 THR H H 136 8.006 8.006 7.848 0.158 17992 7669 1 13 . 1 1 137 137 HIS N N 137 118.612 118.612 120.208 -1.596 17992 7670 1 13 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.384 0.319 17992 7671 1 13 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.521 -2.061 17992 7672 1 13 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.071 -1.359 17992 7673 1 13 . 1 1 137 137 HIS H H 137 8.013 8.013 7.778 0.235 17992 7674 1 13 . 1 1 138 138 HIS N N 138 118.709 118.709 117.101 1.608 17992 7675 1 13 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.564 0.262 17992 7676 1 13 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.761 -2.247 17992 7677 1 13 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.890 -1.644 17992 7678 1 13 . 1 1 138 138 HIS H H 138 8.169 8.169 8.318 -0.149 17992 7679 1 13 . 1 1 139 139 ARG N N 139 123.025 123.025 119.923 3.102 17992 7680 1 13 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.022 0.544 17992 7681 1 13 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.441 -2.047 17992 7682 1 13 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.782 0.239 17992 7683 1 13 . 1 1 139 139 ARG H H 139 8.419 8.419 7.929 0.490 17992 7684 1 14 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.571 0.167 17992 7685 1 14 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.462 0.314 17992 7686 1 14 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.802 -1.458 17992 7687 1 14 . 1 1 8 8 HIS H H 8 8.686 8.686 8.451 0.235 17992 7688 1 14 . 1 1 9 9 ALA N N 9 124.079 124.079 125.375 -1.296 17992 7689 1 14 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.410 -0.023 17992 7690 1 14 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.563 0.723 17992 7691 1 14 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.761 -1.586 17992 7692 1 14 . 1 1 9 9 ALA H H 9 8.457 8.457 8.343 0.114 17992 7693 1 14 . 1 1 10 10 MET N N 10 120.430 120.430 118.754 1.676 17992 7694 1 14 . 1 1 10 10 MET HA H 10 4.390 4.390 4.228 0.162 17992 7695 1 14 . 1 1 10 10 MET CA C 10 57.753 57.753 57.977 -0.224 17992 7696 1 14 . 1 1 10 10 MET CB C 10 32.355 32.355 33.282 -0.927 17992 7697 1 14 . 1 1 10 10 MET H H 10 8.545 8.545 7.784 0.761 17992 7698 1 14 . 1 1 11 11 VAL N N 11 119.159 119.159 115.910 3.249 17992 7699 1 14 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.061 -0.045 17992 7700 1 14 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.451 0.820 17992 7701 1 14 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.682 -0.071 17992 7702 1 14 . 1 1 11 11 VAL H H 11 8.339 8.339 8.015 0.324 17992 7703 1 14 . 1 1 12 12 ILE N N 12 119.461 119.461 120.190 -0.729 17992 7704 1 14 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.907 0.046 17992 7705 1 14 . 1 1 12 12 ILE CA C 12 64.334 64.334 62.901 1.433 17992 7706 1 14 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.145 -0.649 17992 7707 1 14 . 1 1 12 12 ILE H H 12 7.705 7.705 7.740 -0.035 17992 7708 1 14 . 1 1 13 13 ASP N N 13 119.460 119.460 119.879 -0.419 17992 7709 1 14 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.466 -0.082 17992 7710 1 14 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.183 1.341 17992 7711 1 14 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.744 -1.332 17992 7712 1 14 . 1 1 13 13 ASP H H 13 8.172 8.172 7.714 0.458 17992 7713 1 14 . 1 1 14 14 HIS N N 14 116.421 116.421 117.261 -0.840 17992 7714 1 14 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.479 0.061 17992 7715 1 14 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.499 0.249 17992 7716 1 14 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.019 -1.367 17992 7717 1 14 . 1 1 14 14 HIS H H 14 8.138 8.138 7.904 0.234 17992 7718 1 14 . 1 1 15 15 ILE N N 15 119.970 119.970 120.043 -0.073 17992 7719 1 14 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.756 0.052 17992 7720 1 14 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.790 0.614 17992 7721 1 14 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.672 0.115 17992 7722 1 14 . 1 1 15 15 ILE H H 15 8.224 8.224 7.524 0.700 17992 7723 1 14 . 1 1 16 16 LEU N N 16 118.635 118.635 121.249 -2.614 17992 7724 1 14 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.802 1.190 17992 7725 1 14 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.265 0.521 17992 7726 1 14 . 1 1 16 16 LEU H H 16 8.480 8.480 7.715 0.765 17992 7727 1 14 . 1 1 17 17 LYS N N 17 118.257 118.257 116.765 1.492 17992 7728 1 14 . 1 1 17 17 LYS HA H 17 4.094 4.094 3.969 0.125 17992 7729 1 14 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.066 0.817 17992 7730 1 14 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.892 0.324 17992 7731 1 14 . 1 1 17 17 LYS H H 17 8.098 8.098 7.981 0.117 17992 7732 1 14 . 1 1 18 18 CYS N N 18 117.220 117.220 119.297 -2.077 17992 7733 1 14 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.301 0.028 17992 7734 1 14 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.059 1.159 17992 7735 1 14 . 1 1 18 18 CYS CB C 18 26.822 26.822 26.918 -0.096 17992 7736 1 14 . 1 1 18 18 CYS H H 18 7.899 7.899 7.909 -0.010 17992 7737 1 14 . 1 1 19 19 VAL N N 19 118.929 118.929 119.536 -0.607 17992 7738 1 14 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.919 -0.194 17992 7739 1 14 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.765 2.315 17992 7740 1 14 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.988 0.070 17992 7741 1 14 . 1 1 19 19 VAL H H 19 8.352 8.352 7.440 0.912 17992 7742 1 14 . 1 1 20 20 PHE N N 20 120.244 120.244 119.805 0.439 17992 7743 1 14 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.362 -0.088 17992 7744 1 14 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.210 1.416 17992 7745 1 14 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.437 -0.357 17992 7746 1 14 . 1 1 20 20 PHE H H 20 8.791 8.791 8.761 0.030 17992 7747 1 14 . 1 1 21 21 ASP N N 21 118.761 118.761 120.558 -1.797 17992 7748 1 14 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.423 -0.060 17992 7749 1 14 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.517 0.000 17992 7750 1 14 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.792 -0.724 17992 7751 1 14 . 1 1 21 21 ASP H H 21 8.705 8.705 7.956 0.749 17992 7752 1 14 . 1 1 22 22 LYS N N 22 118.200 118.200 119.609 -1.409 17992 7753 1 14 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.050 0.144 17992 7754 1 14 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.460 -0.867 17992 7755 1 14 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.441 -0.143 17992 7756 1 14 . 1 1 22 22 LYS H H 22 7.810 7.810 7.731 0.079 17992 7757 1 14 . 1 1 23 23 ILE N N 23 118.534 118.534 119.060 -0.526 17992 7758 1 14 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.570 0.211 17992 7759 1 14 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.646 0.450 17992 7760 1 14 . 1 1 23 23 ILE H H 23 8.351 8.351 7.735 0.616 17992 7761 1 14 . 1 1 24 24 CYS N N 24 117.155 117.155 117.002 0.153 17992 7762 1 14 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.048 0.001 17992 7763 1 14 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.569 0.930 17992 7764 1 14 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.947 -1.321 17992 7765 1 14 . 1 1 24 24 CYS H H 24 8.203 8.203 7.507 0.696 17992 7766 1 14 . 1 1 25 25 LYS N N 25 119.995 119.995 120.998 -1.003 17992 7767 1 14 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.753 -0.991 17992 7768 1 14 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.396 -0.011 17992 7769 1 14 . 1 1 25 25 LYS H H 25 7.760 7.760 7.831 -0.071 17992 7770 1 14 . 1 1 26 26 ILE N N 26 119.168 119.168 118.753 0.415 17992 7771 1 14 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.739 0.235 17992 7772 1 14 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.809 0.297 17992 7773 1 14 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.852 -0.296 17992 7774 1 14 . 1 1 26 26 ILE H H 26 8.055 8.055 8.288 -0.233 17992 7775 1 14 . 1 1 27 27 GLY N N 27 108.257 108.257 105.211 3.046 17992 7776 1 14 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.959 0.030 17992 7777 1 14 . 1 1 27 27 GLY H H 27 8.568 8.568 7.524 1.044 17992 7778 1 14 . 1 1 28 28 THR N N 28 112.727 112.727 111.899 0.828 17992 7779 1 14 . 1 1 28 28 THR HA H 28 3.912 3.912 4.333 -0.421 17992 7780 1 14 . 1 1 28 28 THR CA C 28 64.717 64.717 63.759 0.958 17992 7781 1 14 . 1 1 28 28 THR CB C 28 69.375 69.375 69.569 -0.194 17992 7782 1 14 . 1 1 28 28 THR H H 28 8.059 8.059 7.667 0.392 17992 7783 1 14 . 1 1 29 29 GLU N N 29 120.068 120.068 121.273 -1.205 17992 7784 1 14 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.232 -1.628 17992 7785 1 14 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.386 -0.293 17992 7786 1 14 . 1 1 29 29 GLU H H 29 8.113 8.113 7.632 0.481 17992 7787 1 14 . 1 1 30 30 SER N N 30 114.882 114.882 115.852 -0.970 17992 7788 1 14 . 1 1 30 30 SER HA H 30 4.374 4.374 4.224 0.150 17992 7789 1 14 . 1 1 30 30 SER CA C 30 60.353 60.353 61.221 -0.868 17992 7790 1 14 . 1 1 30 30 SER H H 30 8.060 8.060 7.717 0.343 17992 7791 1 14 . 1 1 31 31 VAL N N 31 122.098 122.098 118.537 3.561 17992 7792 1 14 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.755 0.262 17992 7793 1 14 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.440 -0.813 17992 7794 1 14 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.522 0.463 17992 7795 1 14 . 1 1 31 31 VAL H H 31 8.127 8.127 7.382 0.745 17992 7796 1 14 . 1 1 32 32 GLU N N 32 120.280 120.280 119.506 0.774 17992 7797 1 14 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.111 0.207 17992 7798 1 14 . 1 1 32 32 GLU CA C 32 57.887 57.887 58.942 -1.055 17992 7799 1 14 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.460 -0.807 17992 7800 1 14 . 1 1 32 32 GLU H H 32 8.243 8.243 7.527 0.716 17992 7801 1 14 . 1 1 33 33 ALA N N 33 121.715 121.715 122.052 -0.337 17992 7802 1 14 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.905 0.284 17992 7803 1 14 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.388 0.336 17992 7804 1 14 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.995 0.733 17992 7805 1 14 . 1 1 33 33 ALA H H 33 8.218 8.218 7.516 0.702 17992 7806 1 14 . 1 1 34 34 GLY N N 34 104.656 104.656 105.156 -0.500 17992 7807 1 14 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.073 1.001 17992 7808 1 14 . 1 1 34 34 GLY H H 34 8.308 8.308 7.721 0.587 17992 7809 1 14 . 1 1 35 35 ARG N N 35 119.958 119.958 120.125 -0.167 17992 7810 1 14 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.261 0.015 17992 7811 1 14 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.988 2.037 17992 7812 1 14 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.598 0.691 17992 7813 1 14 . 1 1 35 35 ARG H H 35 7.975 7.975 7.490 0.485 17992 7814 1 14 . 1 1 36 36 LEU N N 36 118.931 118.931 121.451 -2.520 17992 7815 1 14 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.105 0.119 17992 7816 1 14 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.989 -0.186 17992 7817 1 14 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.812 0.381 17992 7818 1 14 . 1 1 36 36 LEU H H 36 7.958 7.958 8.208 -0.250 17992 7819 1 14 . 1 1 37 37 ILE N N 37 118.087 118.087 118.995 -0.908 17992 7820 1 14 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.636 0.295 17992 7821 1 14 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.605 0.254 17992 7822 1 14 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.417 0.622 17992 7823 1 14 . 1 1 37 37 ILE H H 37 7.904 7.904 7.988 -0.084 17992 7824 1 14 . 1 1 38 38 GLU N N 38 120.989 120.989 119.356 1.633 17992 7825 1 14 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.955 0.276 17992 7826 1 14 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.590 -1.145 17992 7827 1 14 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.212 -0.201 17992 7828 1 14 . 1 1 38 38 GLU H H 38 8.041 8.041 7.451 0.590 17992 7829 1 14 . 1 1 39 39 LEU N N 39 120.111 120.111 119.357 0.754 17992 7830 1 14 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.079 0.192 17992 7831 1 14 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.388 0.023 17992 7832 1 14 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.349 0.946 17992 7833 1 14 . 1 1 39 39 LEU H H 39 8.173 8.173 7.692 0.481 17992 7834 1 14 . 1 1 40 40 SER N N 40 113.806 113.806 112.793 1.013 17992 7835 1 14 . 1 1 40 40 SER HA H 40 4.312 4.312 4.145 0.167 17992 7836 1 14 . 1 1 40 40 SER CA C 40 60.406 60.406 60.925 -0.519 17992 7837 1 14 . 1 1 40 40 SER CB C 40 63.646 63.646 63.066 0.580 17992 7838 1 14 . 1 1 40 40 SER H H 40 8.031 8.031 7.537 0.494 17992 7839 1 14 . 1 1 41 41 GLN N N 41 120.139 120.139 118.073 2.066 17992 7840 1 14 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.294 0.102 17992 7841 1 14 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.121 -0.520 17992 7842 1 14 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.693 -0.308 17992 7843 1 14 . 1 1 41 41 GLN H H 41 7.956 7.956 7.745 0.211 17992 7844 1 14 . 1 1 42 42 GLU N N 42 119.728 119.728 116.333 3.395 17992 7845 1 14 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.318 0.055 17992 7846 1 14 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.872 0.217 17992 7847 1 14 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.306 -1.951 17992 7848 1 14 . 1 1 42 42 GLU H H 42 8.114 8.114 8.490 -0.376 17992 7849 1 14 . 1 1 43 43 GLY N N 43 108.655 108.655 108.056 0.599 17992 7850 1 14 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.565 0.058 17992 7851 1 14 . 1 1 43 43 GLY H H 43 8.325 8.325 8.131 0.194 17992 7852 1 14 . 1 1 44 44 GLY N N 44 107.872 107.872 109.897 -2.025 17992 7853 1 14 . 1 1 44 44 GLY CA C 44 45.487 45.487 43.959 1.528 17992 7854 1 14 . 1 1 44 44 GLY H H 44 8.105 8.105 8.143 -0.038 17992 7855 1 14 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.333 2.062 17992 7856 1 14 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.499 -0.030 17992 7857 1 14 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.217 1.213 17992 7858 1 14 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.923 0.398 17992 7859 1 14 . 1 1 50 50 LEU N N 50 116.864 116.864 117.933 -1.069 17992 7860 1 14 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.378 -0.176 17992 7861 1 14 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.599 1.950 17992 7862 1 14 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.059 1.640 17992 7863 1 14 . 1 1 50 50 LEU H H 50 8.336 8.336 8.145 0.191 17992 7864 1 14 . 1 1 51 51 TYR N N 51 118.433 118.433 121.116 -2.683 17992 7865 1 14 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.168 -0.003 17992 7866 1 14 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.420 -0.386 17992 7867 1 14 . 1 1 51 51 TYR CB C 51 38.484 38.484 37.805 0.679 17992 7868 1 14 . 1 1 51 51 TYR H H 51 7.765 7.765 7.829 -0.064 17992 7869 1 14 . 1 1 52 52 PHE N N 52 117.945 117.945 118.623 -0.678 17992 7870 1 14 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.484 0.776 17992 7871 1 14 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.636 0.615 17992 7872 1 14 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.804 0.515 17992 7873 1 14 . 1 1 52 52 PHE H H 52 7.873 7.873 7.550 0.323 17992 7874 1 14 . 1 1 53 53 VAL N N 53 117.468 117.468 118.560 -1.092 17992 7875 1 14 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.345 0.307 17992 7876 1 14 . 1 1 53 53 VAL CA C 53 66.298 66.298 64.930 1.369 17992 7877 1 14 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.874 -0.064 17992 7878 1 14 . 1 1 53 53 VAL H H 53 7.864 7.864 7.474 0.390 17992 7879 1 14 . 1 1 54 54 VAL N N 54 116.929 116.929 120.484 -3.555 17992 7880 1 14 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.650 0.052 17992 7881 1 14 . 1 1 54 54 VAL CA C 54 66.067 66.067 65.974 0.093 17992 7882 1 14 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.665 0.136 17992 7883 1 14 . 1 1 54 54 VAL H H 54 7.958 7.958 8.000 -0.042 17992 7884 1 14 . 1 1 55 55 ASN N N 55 115.543 115.543 117.419 -1.876 17992 7885 1 14 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.564 0.066 17992 7886 1 14 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.441 0.019 17992 7887 1 14 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.094 0.835 17992 7888 1 14 . 1 1 55 55 ASN H H 55 7.823 7.823 8.075 -0.252 17992 7889 1 14 . 1 1 56 56 VAL N N 56 116.125 116.125 118.402 -2.277 17992 7890 1 14 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.782 0.315 17992 7891 1 14 . 1 1 56 56 VAL CA C 56 64.139 64.139 63.346 0.793 17992 7892 1 14 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.889 -0.886 17992 7893 1 14 . 1 1 56 56 VAL H H 56 7.664 7.664 7.231 0.433 17992 7894 1 14 . 1 1 57 57 ILE N N 57 116.872 116.872 117.956 -1.084 17992 7895 1 14 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.746 0.263 17992 7896 1 14 . 1 1 57 57 ILE CA C 57 63.550 63.550 61.672 1.878 17992 7897 1 14 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.000 0.763 17992 7898 1 14 . 1 1 57 57 ILE H H 57 7.587 7.587 7.487 0.100 17992 7899 1 14 . 1 1 58 58 GLU N N 58 118.190 118.190 120.784 -2.594 17992 7900 1 14 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.102 0.097 17992 7901 1 14 . 1 1 58 58 GLU CA C 58 60.305 60.305 62.141 -1.836 17992 7902 1 14 . 1 1 58 58 GLU H H 58 8.114 8.114 7.677 0.437 17992 7903 1 14 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.381 0.128 17992 7904 1 14 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.273 0.289 17992 7905 1 14 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.312 0.154 17992 7906 1 14 . 1 1 60 60 CYS N N 60 115.035 115.035 117.633 -2.598 17992 7907 1 14 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.151 0.117 17992 7908 1 14 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.715 -0.602 17992 7909 1 14 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.398 -0.408 17992 7910 1 14 . 1 1 60 60 CYS H H 60 7.913 7.913 7.705 0.208 17992 7911 1 14 . 1 1 61 61 LYS N N 61 121.184 121.184 120.821 0.363 17992 7912 1 14 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.989 0.283 17992 7913 1 14 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.058 -0.969 17992 7914 1 14 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.062 0.366 17992 7915 1 14 . 1 1 61 61 LYS H H 61 8.197 8.197 8.178 0.019 17992 7916 1 14 . 1 1 62 62 LYS N N 62 118.253 118.253 117.516 0.737 17992 7917 1 14 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.147 -1.303 17992 7918 1 14 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.272 -0.182 17992 7919 1 14 . 1 1 62 62 LYS H H 62 7.982 7.982 7.741 0.241 17992 7920 1 14 . 1 1 63 63 PHE N N 63 118.763 118.763 117.990 0.773 17992 7921 1 14 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.512 -0.257 17992 7922 1 14 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.868 0.666 17992 7923 1 14 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.606 -0.456 17992 7924 1 14 . 1 1 63 63 PHE H H 63 8.155 8.155 7.562 0.593 17992 7925 1 14 . 1 1 64 64 SER N N 64 114.881 114.881 116.533 -1.652 17992 7926 1 14 . 1 1 64 64 SER HA H 64 4.268 4.268 4.221 0.047 17992 7927 1 14 . 1 1 64 64 SER CA C 64 61.588 61.588 61.377 0.211 17992 7928 1 14 . 1 1 64 64 SER CB C 64 63.175 63.175 62.822 0.353 17992 7929 1 14 . 1 1 64 64 SER H H 64 8.218 8.218 8.005 0.213 17992 7930 1 14 . 1 1 65 65 GLU N N 65 120.937 120.937 121.443 -0.506 17992 7931 1 14 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.093 0.191 17992 7932 1 14 . 1 1 65 65 GLU CA C 65 58.211 58.211 59.006 -0.795 17992 7933 1 14 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.460 -0.498 17992 7934 1 14 . 1 1 65 65 GLU H H 65 8.067 8.067 7.730 0.337 17992 7935 1 14 . 1 1 66 66 LEU N N 66 118.904 118.904 118.565 0.339 17992 7936 1 14 . 1 1 66 66 LEU HA H 66 4.263 4.263 3.970 0.293 17992 7937 1 14 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.151 0.071 17992 7938 1 14 . 1 1 66 66 LEU CB C 66 42.325 42.325 40.962 1.363 17992 7939 1 14 . 1 1 66 66 LEU H H 66 8.003 8.003 7.135 0.868 17992 7940 1 14 . 1 1 67 67 THR N N 67 108.190 108.190 113.434 -5.244 17992 7941 1 14 . 1 1 67 67 THR HA H 67 4.043 4.043 4.158 -0.115 17992 7942 1 14 . 1 1 67 67 THR CA C 67 64.579 64.579 66.214 -1.635 17992 7943 1 14 . 1 1 67 67 THR CB C 67 69.410 69.410 68.438 0.972 17992 7944 1 14 . 1 1 67 67 THR H H 67 7.783 7.783 7.628 0.155 17992 7945 1 14 . 1 1 68 68 GLY N N 68 108.141 108.141 107.940 0.201 17992 7946 1 14 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.261 0.983 17992 7947 1 14 . 1 1 68 68 GLY H H 68 7.964 7.964 7.666 0.298 17992 7948 1 14 . 1 1 69 69 LEU N N 69 120.124 120.124 121.096 -0.972 17992 7949 1 14 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.464 -0.112 17992 7950 1 14 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.781 0.705 17992 7951 1 14 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.665 -0.291 17992 7952 1 14 . 1 1 69 69 LEU H H 69 7.749 7.749 7.406 0.343 17992 7953 1 14 . 1 1 70 70 VAL N N 70 115.546 115.546 118.367 -2.821 17992 7954 1 14 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.810 0.125 17992 7955 1 14 . 1 1 70 70 VAL CA C 70 63.630 63.630 65.306 -1.677 17992 7956 1 14 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.297 -0.033 17992 7957 1 14 . 1 1 70 70 VAL H H 70 7.607 7.607 7.500 0.107 17992 7958 1 14 . 1 1 71 71 PHE N N 71 119.035 119.035 115.972 3.063 17992 7959 1 14 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.399 0.159 17992 7960 1 14 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.568 -1.021 17992 7961 1 14 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.305 -0.005 17992 7962 1 14 . 1 1 71 71 PHE H H 71 7.618 7.618 7.884 -0.266 17992 7963 1 14 . 1 1 72 72 TYR N N 72 118.365 118.365 117.899 0.466 17992 7964 1 14 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.548 0.031 17992 7965 1 14 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.731 -1.634 17992 7966 1 14 . 1 1 72 72 TYR CB C 72 39.244 39.244 39.621 -0.377 17992 7967 1 14 . 1 1 72 72 TYR H H 72 7.740 7.740 7.637 0.103 17992 7968 1 14 . 1 1 73 73 LEU N N 73 121.184 121.184 119.437 1.747 17992 7969 1 14 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.727 -0.152 17992 7970 1 14 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.739 0.810 17992 7971 1 14 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.448 -1.367 17992 7972 1 14 . 1 1 73 73 LEU H H 73 7.713 7.713 7.785 -0.072 17992 7973 1 14 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.528 0.110 17992 7974 1 14 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.290 0.914 17992 7975 1 14 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.352 -0.671 17992 7976 1 14 . 1 1 75 75 THR N N 75 113.231 113.231 115.599 -2.368 17992 7977 1 14 . 1 1 75 75 THR HA H 75 4.339 4.339 4.227 0.112 17992 7978 1 14 . 1 1 75 75 THR CA C 75 62.684 62.684 64.047 -1.363 17992 7979 1 14 . 1 1 75 75 THR H H 75 8.217 8.217 8.336 -0.119 17992 7980 1 14 . 1 1 76 76 ASP N N 76 120.892 120.892 117.107 3.785 17992 7981 1 14 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.654 0.136 17992 7982 1 14 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.479 0.760 17992 7983 1 14 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.009 -1.694 17992 7984 1 14 . 1 1 76 76 ASP H H 76 8.406 8.406 7.389 1.017 17992 7985 1 14 . 1 1 77 77 SER N N 77 115.861 115.861 113.861 2.000 17992 7986 1 14 . 1 1 77 77 SER HA H 77 4.345 4.345 4.221 0.124 17992 7987 1 14 . 1 1 77 77 SER CA C 77 60.528 60.528 60.021 0.507 17992 7988 1 14 . 1 1 77 77 SER CB C 77 63.812 63.812 63.593 0.219 17992 7989 1 14 . 1 1 77 77 SER H H 77 8.238 8.238 8.443 -0.205 17992 7990 1 14 . 1 1 78 78 GLY N N 78 110.440 110.440 105.542 4.898 17992 7991 1 14 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.113 1.540 17992 7992 1 14 . 1 1 78 78 GLY H H 78 8.570 8.570 7.786 0.784 17992 7993 1 14 . 1 1 79 79 GLU N N 79 121.242 121.242 121.589 -0.347 17992 7994 1 14 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.188 0.132 17992 7995 1 14 . 1 1 79 79 GLU CA C 79 58.018 58.018 58.983 -0.965 17992 7996 1 14 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.501 -0.419 17992 7997 1 14 . 1 1 79 79 GLU H H 79 8.237 8.237 8.551 -0.314 17992 7998 1 14 . 1 1 80 80 LYS N N 80 119.708 119.708 117.940 1.768 17992 7999 1 14 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.175 0.144 17992 8000 1 14 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.553 -0.672 17992 8001 1 14 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.218 0.528 17992 8002 1 14 . 1 1 80 80 LYS H H 80 8.252 8.252 8.435 -0.183 17992 8003 1 14 . 1 1 81 81 MET N N 81 119.849 119.849 116.615 3.234 17992 8004 1 14 . 1 1 81 81 MET HA H 81 4.367 4.367 4.320 0.047 17992 8005 1 14 . 1 1 81 81 MET CA C 81 57.845 57.845 59.266 -1.421 17992 8006 1 14 . 1 1 81 81 MET CB C 81 32.658 32.658 32.273 0.385 17992 8007 1 14 . 1 1 81 81 MET H H 81 8.419 8.419 7.726 0.693 17992 8008 1 14 . 1 1 82 82 THR N N 82 114.947 114.947 113.883 1.064 17992 8009 1 14 . 1 1 82 82 THR HA H 82 4.132 4.132 4.007 0.125 17992 8010 1 14 . 1 1 82 82 THR CA C 82 65.377 65.377 66.040 -0.663 17992 8011 1 14 . 1 1 82 82 THR CB C 82 69.035 69.035 68.517 0.518 17992 8012 1 14 . 1 1 82 82 THR H H 82 8.115 8.115 8.222 -0.107 17992 8013 1 14 . 1 1 83 83 GLU N N 83 121.416 121.416 118.603 2.813 17992 8014 1 14 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.310 0.063 17992 8015 1 14 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.428 -0.364 17992 8016 1 14 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.761 -0.819 17992 8017 1 14 . 1 1 83 83 GLU H H 83 8.336 8.336 7.852 0.484 17992 8018 1 14 . 1 1 84 84 SER N N 84 115.783 115.783 116.203 -0.420 17992 8019 1 14 . 1 1 84 84 SER HA H 84 4.278 4.278 4.437 -0.159 17992 8020 1 14 . 1 1 84 84 SER CA C 84 61.685 61.685 60.563 1.122 17992 8021 1 14 . 1 1 84 84 SER H H 84 8.191 8.191 8.002 0.189 17992 8022 1 14 . 1 1 85 85 LYS N N 85 121.318 121.318 122.233 -0.915 17992 8023 1 14 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.174 -0.089 17992 8024 1 14 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.097 0.691 17992 8025 1 14 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.344 0.086 17992 8026 1 14 . 1 1 85 85 LYS H H 85 8.113 8.113 8.187 -0.074 17992 8027 1 14 . 1 1 86 86 SER N N 86 115.042 115.042 114.014 1.028 17992 8028 1 14 . 1 1 86 86 SER HA H 86 4.389 4.389 4.402 -0.013 17992 8029 1 14 . 1 1 86 86 SER CA C 86 61.437 61.437 60.630 0.807 17992 8030 1 14 . 1 1 86 86 SER CB C 86 63.116 63.116 63.115 0.001 17992 8031 1 14 . 1 1 86 86 SER H H 86 8.066 8.066 7.589 0.477 17992 8032 1 14 . 1 1 87 87 VAL N N 87 122.920 122.920 121.242 1.678 17992 8033 1 14 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.855 0.525 17992 8034 1 14 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.326 0.797 17992 8035 1 14 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.407 -0.028 17992 8036 1 14 . 1 1 87 87 VAL H H 87 8.103 8.103 7.862 0.241 17992 8037 1 14 . 1 1 88 88 LEU N N 88 119.501 119.501 119.858 -0.357 17992 8038 1 14 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.000 0.122 17992 8039 1 14 . 1 1 88 88 LEU CA C 88 57.906 57.906 58.310 -0.404 17992 8040 1 14 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.422 0.522 17992 8041 1 14 . 1 1 88 88 LEU H H 88 8.146 8.146 7.412 0.734 17992 8042 1 14 . 1 1 89 89 LYS N N 89 120.285 120.285 118.954 1.331 17992 8043 1 14 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.127 -0.032 17992 8044 1 14 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.909 0.978 17992 8045 1 14 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.367 -0.140 17992 8046 1 14 . 1 1 89 89 LYS H H 89 8.245 8.245 7.983 0.262 17992 8047 1 14 . 1 1 90 90 SER N N 90 115.131 115.131 114.846 0.285 17992 8048 1 14 . 1 1 90 90 SER HA H 90 4.362 4.362 4.350 0.012 17992 8049 1 14 . 1 1 90 90 SER CA C 90 61.815 61.815 60.798 1.017 17992 8050 1 14 . 1 1 90 90 SER H H 90 8.037 8.037 7.684 0.353 17992 8051 1 14 . 1 1 91 91 LEU N N 91 120.855 120.855 122.736 -1.881 17992 8052 1 14 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.286 -0.138 17992 8053 1 14 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.654 0.759 17992 8054 1 14 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.868 0.307 17992 8055 1 14 . 1 1 91 91 LEU H H 91 8.445 8.445 7.886 0.559 17992 8056 1 14 . 1 1 92 92 THR N N 92 112.933 112.933 115.128 -2.195 17992 8057 1 14 . 1 1 92 92 THR HA H 92 3.904 3.904 3.918 -0.014 17992 8058 1 14 . 1 1 92 92 THR CA C 92 67.390 67.390 66.460 0.930 17992 8059 1 14 . 1 1 92 92 THR CB C 92 69.367 69.367 68.082 1.285 17992 8060 1 14 . 1 1 92 92 THR H H 92 8.383 8.383 7.623 0.760 17992 8061 1 14 . 1 1 93 93 GLU N N 93 120.387 120.387 120.363 0.024 17992 8062 1 14 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.843 -0.356 17992 8063 1 14 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.437 -0.292 17992 8064 1 14 . 1 1 93 93 GLU H H 93 7.971 7.971 8.212 -0.241 17992 8065 1 14 . 1 1 94 94 LYS N N 94 118.470 118.470 117.672 0.798 17992 8066 1 14 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.177 -0.011 17992 8067 1 14 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.755 1.291 17992 8068 1 14 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.478 -0.131 17992 8069 1 14 . 1 1 94 94 LYS H H 94 7.804 7.804 7.821 -0.017 17992 8070 1 14 . 1 1 95 95 LEU N N 95 118.397 118.397 119.118 -0.721 17992 8071 1 14 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.219 -0.060 17992 8072 1 14 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.903 0.974 17992 8073 1 14 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.002 -0.053 17992 8074 1 14 . 1 1 95 95 LEU H H 95 8.256 8.256 7.313 0.943 17992 8075 1 14 . 1 1 96 96 LYS N N 96 117.747 117.747 118.840 -1.093 17992 8076 1 14 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.013 -0.073 17992 8077 1 14 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.490 0.791 17992 8078 1 14 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.875 0.474 17992 8079 1 14 . 1 1 96 96 LYS H H 96 8.105 8.105 8.731 -0.626 17992 8080 1 14 . 1 1 97 97 LYS N N 97 116.451 116.451 119.539 -3.088 17992 8081 1 14 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.197 -0.030 17992 8082 1 14 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.256 1.287 17992 8083 1 14 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.979 0.172 17992 8084 1 14 . 1 1 97 97 LYS H H 97 7.520 7.520 7.566 -0.046 17992 8085 1 14 . 1 1 98 98 ILE N N 98 117.587 117.587 122.073 -4.486 17992 8086 1 14 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.777 0.153 17992 8087 1 14 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.947 0.353 17992 8088 1 14 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.074 -0.325 17992 8089 1 14 . 1 1 98 98 ILE H H 98 7.782 7.782 7.648 0.134 17992 8090 1 14 . 1 1 99 99 VAL N N 99 116.989 116.989 118.783 -1.794 17992 8091 1 14 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.624 0.201 17992 8092 1 14 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.266 0.696 17992 8093 1 14 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.348 0.134 17992 8094 1 14 . 1 1 99 99 VAL H H 99 7.917 7.917 7.454 0.463 17992 8095 1 14 . 1 1 100 100 GLU N N 100 116.782 116.782 118.754 -1.972 17992 8096 1 14 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.200 0.013 17992 8097 1 14 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.789 0.185 17992 8098 1 14 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.397 -1.474 17992 8099 1 14 . 1 1 100 100 GLU H H 100 7.702 7.702 7.957 -0.255 17992 8100 1 14 . 1 1 101 101 LEU N N 101 118.218 118.218 121.319 -3.101 17992 8101 1 14 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.242 -0.087 17992 8102 1 14 . 1 1 101 101 LEU CA C 101 55.736 55.736 57.088 -1.352 17992 8103 1 14 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.556 -0.517 17992 8104 1 14 . 1 1 101 101 LEU H H 101 7.751 7.751 7.780 -0.029 17992 8105 1 14 . 1 1 102 102 ILE N N 102 119.412 119.412 110.936 8.476 17992 8106 1 14 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.550 -0.823 17992 8107 1 14 . 1 1 102 102 ILE CA C 102 61.809 61.809 57.603 4.206 17992 8108 1 14 . 1 1 102 102 ILE H H 102 7.559 7.559 7.758 -0.199 17992 8109 1 14 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.566 0.021 17992 8110 1 14 . 1 1 103 103 PRO CA C 103 64.289 64.289 63.241 1.048 17992 8111 1 14 . 1 1 103 103 PRO CB C 103 31.886 31.886 30.639 1.247 17992 8112 1 14 . 1 1 104 104 SER N N 104 112.794 112.794 118.658 -5.864 17992 8113 1 14 . 1 1 104 104 SER HA H 104 4.571 4.571 4.476 0.095 17992 8114 1 14 . 1 1 104 104 SER CA C 104 59.286 59.286 58.333 0.953 17992 8115 1 14 . 1 1 104 104 SER CB C 104 63.849 63.849 64.253 -0.404 17992 8116 1 14 . 1 1 104 104 SER H H 104 8.100 8.100 8.339 -0.239 17992 8117 1 14 . 1 1 105 105 THR N N 105 114.655 114.655 115.816 -1.161 17992 8118 1 14 . 1 1 105 105 THR HA H 105 4.318 4.318 4.155 0.163 17992 8119 1 14 . 1 1 105 105 THR CA C 105 64.056 64.056 63.166 0.890 17992 8120 1 14 . 1 1 105 105 THR CB C 105 69.861 69.861 68.226 1.635 17992 8121 1 14 . 1 1 105 105 THR H H 105 8.186 8.186 8.260 -0.074 17992 8122 1 14 . 1 1 106 106 SER N N 106 116.165 116.165 121.493 -5.328 17992 8123 1 14 . 1 1 106 106 SER HA H 106 4.344 4.344 4.556 -0.212 17992 8124 1 14 . 1 1 106 106 SER CA C 106 60.864 60.864 60.426 0.438 17992 8125 1 14 . 1 1 106 106 SER CB C 106 63.462 63.462 63.641 -0.179 17992 8126 1 14 . 1 1 106 106 SER H H 106 8.200 8.200 8.544 -0.344 17992 8127 1 14 . 1 1 107 107 SER N N 107 116.732 116.732 117.147 -0.415 17992 8128 1 14 . 1 1 107 107 SER HA H 107 4.413 4.413 4.414 -0.001 17992 8129 1 14 . 1 1 107 107 SER CA C 107 60.051 60.051 60.522 -0.471 17992 8130 1 14 . 1 1 107 107 SER CB C 107 63.921 63.921 63.153 0.768 17992 8131 1 14 . 1 1 107 107 SER H H 107 8.114 8.114 8.521 -0.407 17992 8132 1 14 . 1 1 108 108 ALA N N 108 122.523 122.523 123.553 -1.030 17992 8133 1 14 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.410 0.024 17992 8134 1 14 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.912 -0.430 17992 8135 1 14 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.290 1.042 17992 8136 1 14 . 1 1 108 108 ALA H H 108 8.022 8.022 8.161 -0.139 17992 8137 1 14 . 1 1 109 109 VAL N N 109 117.146 117.146 120.448 -3.302 17992 8138 1 14 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.889 -0.101 17992 8139 1 14 . 1 1 109 109 VAL CA C 109 66.835 66.835 67.718 -0.883 17992 8140 1 14 . 1 1 109 109 VAL H H 109 7.829 7.829 8.217 -0.388 17992 8141 1 14 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.358 0.122 17992 8142 1 14 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.208 0.237 17992 8143 1 14 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.430 -0.051 17992 8144 1 14 . 1 1 111 111 LEU N N 111 117.393 117.393 119.248 -1.855 17992 8145 1 14 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.241 -0.028 17992 8146 1 14 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.828 0.954 17992 8147 1 14 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.307 0.141 17992 8148 1 14 . 1 1 111 111 LEU H H 111 7.538 7.538 7.076 0.462 17992 8149 1 14 . 1 1 112 112 ILE N N 112 117.001 117.001 120.609 -3.608 17992 8150 1 14 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.948 0.053 17992 8151 1 14 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.941 -0.315 17992 8152 1 14 . 1 1 112 112 ILE H H 112 8.118 8.118 8.899 -0.781 17992 8153 1 14 . 1 1 113 113 GLY N N 113 106.840 106.840 107.667 -0.827 17992 8154 1 14 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.247 0.525 17992 8155 1 14 . 1 1 113 113 GLY H H 113 8.409 8.409 8.181 0.229 17992 8156 1 14 . 1 1 114 114 LYS N N 114 120.736 120.736 121.710 -0.974 17992 8157 1 14 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.104 0.016 17992 8158 1 14 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.643 0.495 17992 8159 1 14 . 1 1 114 114 LYS H H 114 7.847 7.847 7.875 -0.028 17992 8160 1 14 . 1 1 115 115 TYR N N 115 117.055 117.055 118.654 -1.599 17992 8161 1 14 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.348 -0.076 17992 8162 1 14 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.513 -0.083 17992 8163 1 14 . 1 1 115 115 TYR H H 115 7.891 7.891 7.657 0.234 17992 8164 1 14 . 1 1 116 116 MET H H 116 8.170 8.170 8.596 -0.426 17992 8165 1 14 . 1 1 117 117 LEU N N 117 117.768 117.768 119.940 -2.172 17992 8166 1 14 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.011 -0.102 17992 8167 1 14 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.894 0.700 17992 8168 1 14 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.782 -0.446 17992 8169 1 14 . 1 1 117 117 LEU H H 117 7.781 7.781 7.808 -0.027 17992 8170 1 14 . 1 1 118 118 PHE N N 118 118.204 118.204 118.837 -0.633 17992 8171 1 14 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.079 0.349 17992 8172 1 14 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.853 -1.118 17992 8173 1 14 . 1 1 118 118 PHE H H 118 8.024 8.024 7.756 0.268 17992 8174 1 14 . 1 1 119 119 THR N N 119 114.941 114.941 113.360 1.581 17992 8175 1 14 . 1 1 119 119 THR HA H 119 3.972 3.972 4.229 -0.257 17992 8176 1 14 . 1 1 119 119 THR CA C 119 67.518 67.518 65.246 2.272 17992 8177 1 14 . 1 1 119 119 THR CB C 119 69.194 69.194 68.422 0.772 17992 8178 1 14 . 1 1 119 119 THR H H 119 8.171 8.171 8.158 0.013 17992 8179 1 14 . 1 1 120 120 LYS N N 120 121.758 121.758 121.230 0.528 17992 8180 1 14 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.180 -0.200 17992 8181 1 14 . 1 1 120 120 LYS CA C 120 60.810 60.810 58.970 1.840 17992 8182 1 14 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.678 -0.163 17992 8183 1 14 . 1 1 120 120 LYS H H 120 8.359 8.359 7.811 0.548 17992 8184 1 14 . 1 1 121 121 GLU N N 121 117.504 117.504 120.349 -2.845 17992 8185 1 14 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.243 -0.029 17992 8186 1 14 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.681 0.559 17992 8187 1 14 . 1 1 121 121 GLU CB C 121 28.383 28.383 28.535 -0.152 17992 8188 1 14 . 1 1 121 121 GLU H H 121 8.222 8.222 8.424 -0.202 17992 8189 1 14 . 1 1 122 122 PHE N N 122 121.586 121.586 121.438 0.148 17992 8190 1 14 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.228 0.066 17992 8191 1 14 . 1 1 122 122 PHE CA C 122 61.574 61.574 59.705 1.869 17992 8192 1 14 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.032 0.327 17992 8193 1 14 . 1 1 122 122 PHE H H 122 8.562 8.562 7.735 0.827 17992 8194 1 14 . 1 1 123 123 VAL N N 123 121.558 121.558 118.994 2.564 17992 8195 1 14 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.354 0.162 17992 8196 1 14 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.634 1.974 17992 8197 1 14 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.209 0.252 17992 8198 1 14 . 1 1 123 123 VAL H H 123 8.784 8.784 7.403 1.381 17992 8199 1 14 . 1 1 124 124 GLU N N 124 118.314 118.314 119.288 -0.974 17992 8200 1 14 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.984 0.058 17992 8201 1 14 . 1 1 124 124 GLU CA C 124 60.207 60.207 58.762 1.445 17992 8202 1 14 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.094 -0.669 17992 8203 1 14 . 1 1 124 124 GLU H H 124 8.564 8.564 7.978 0.586 17992 8204 1 14 . 1 1 125 125 SER N N 125 114.779 114.779 116.240 -1.461 17992 8205 1 14 . 1 1 125 125 SER HA H 125 4.265 4.265 4.131 0.134 17992 8206 1 14 . 1 1 125 125 SER CA C 125 62.342 62.342 61.936 0.406 17992 8207 1 14 . 1 1 125 125 SER CB C 125 63.162 63.162 62.773 0.389 17992 8208 1 14 . 1 1 125 125 SER H H 125 8.348 8.348 8.213 0.135 17992 8209 1 14 . 1 1 126 126 SER N N 126 118.464 118.464 117.940 0.524 17992 8210 1 14 . 1 1 126 126 SER HA H 126 4.069 4.069 4.247 -0.178 17992 8211 1 14 . 1 1 126 126 SER CA C 126 62.846 62.846 61.831 1.014 17992 8212 1 14 . 1 1 126 126 SER H H 126 8.144 8.144 7.482 0.662 17992 8213 1 14 . 1 1 127 127 ILE N N 127 124.705 124.705 118.138 6.567 17992 8214 1 14 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.057 -0.376 17992 8215 1 14 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.535 2.106 17992 8216 1 14 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.513 0.521 17992 8217 1 14 . 1 1 127 127 ILE H H 127 8.280 8.280 7.334 0.946 17992 8218 1 14 . 1 1 128 128 LYS N N 128 119.907 119.907 120.607 -0.700 17992 8219 1 14 . 1 1 128 128 LYS CA C 128 59.885 59.885 58.350 1.535 17992 8220 1 14 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.151 0.097 17992 8221 1 14 . 1 1 128 128 LYS H H 128 7.741 7.741 7.661 0.080 17992 8222 1 14 . 1 1 129 129 ILE N N 129 118.807 118.807 120.168 -1.361 17992 8223 1 14 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.743 0.364 17992 8224 1 14 . 1 1 129 129 ILE CA C 129 64.392 64.392 65.381 -0.989 17992 8225 1 14 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.234 -0.184 17992 8226 1 14 . 1 1 129 129 ILE H H 129 8.215 8.215 8.219 -0.004 17992 8227 1 14 . 1 1 130 130 THR N N 130 117.328 117.328 112.272 5.056 17992 8228 1 14 . 1 1 130 130 THR HA H 130 3.921 3.921 3.831 0.090 17992 8229 1 14 . 1 1 130 130 THR CA C 130 68.210 68.210 65.859 2.351 17992 8230 1 14 . 1 1 130 130 THR H H 130 7.988 7.988 8.095 -0.107 17992 8231 1 14 . 1 1 131 131 GLU N N 131 118.968 118.968 122.264 -3.296 17992 8232 1 14 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.062 -0.084 17992 8233 1 14 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.970 0.630 17992 8234 1 14 . 1 1 131 131 GLU H H 131 8.439 8.439 7.684 0.755 17992 8235 1 14 . 1 1 132 132 GLU N N 132 118.712 118.712 117.797 0.915 17992 8236 1 14 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.167 0.059 17992 8237 1 14 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.398 0.869 17992 8238 1 14 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.923 -1.304 17992 8239 1 14 . 1 1 132 132 GLU H H 132 7.987 7.987 7.752 0.235 17992 8240 1 14 . 1 1 133 133 VAL N N 133 120.060 120.060 118.481 1.579 17992 8241 1 14 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.937 -0.070 17992 8242 1 14 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.949 1.381 17992 8243 1 14 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.493 -0.337 17992 8244 1 14 . 1 1 133 133 VAL H H 133 8.341 8.341 7.676 0.665 17992 8245 1 14 . 1 1 134 134 ILE N N 134 119.699 119.699 120.505 -0.806 17992 8246 1 14 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.997 -0.137 17992 8247 1 14 . 1 1 134 134 ILE CA C 134 65.184 65.184 61.941 3.243 17992 8248 1 14 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.909 -0.007 17992 8249 1 14 . 1 1 134 134 ILE H H 134 8.331 8.331 7.720 0.611 17992 8250 1 14 . 1 1 135 135 ASN N N 135 117.396 117.396 116.447 0.949 17992 8251 1 14 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.665 0.010 17992 8252 1 14 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.689 -0.184 17992 8253 1 14 . 1 1 135 135 ASN CB C 135 39.127 39.127 39.034 0.093 17992 8254 1 14 . 1 1 135 135 ASN H H 135 8.318 8.318 8.018 0.300 17992 8255 1 14 . 1 1 136 136 THR N N 136 111.419 111.419 114.947 -3.528 17992 8256 1 14 . 1 1 136 136 THR HA H 136 4.308 4.308 4.361 -0.053 17992 8257 1 14 . 1 1 136 136 THR CA C 136 63.872 63.872 65.353 -1.481 17992 8258 1 14 . 1 1 136 136 THR CB C 136 69.779 69.779 68.755 1.024 17992 8259 1 14 . 1 1 136 136 THR H H 136 8.006 8.006 7.545 0.461 17992 8260 1 14 . 1 1 137 137 HIS N N 137 118.612 118.612 120.896 -2.284 17992 8261 1 14 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.380 0.323 17992 8262 1 14 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.308 -2.848 17992 8263 1 14 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.972 -1.260 17992 8264 1 14 . 1 1 137 137 HIS H H 137 8.013 8.013 8.320 -0.307 17992 8265 1 14 . 1 1 138 138 HIS N N 138 118.709 118.709 116.728 1.981 17992 8266 1 14 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.357 0.469 17992 8267 1 14 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.568 -3.054 17992 8268 1 14 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.897 -1.651 17992 8269 1 14 . 1 1 138 138 HIS H H 138 8.169 8.169 7.887 0.282 17992 8270 1 14 . 1 1 139 139 ARG N N 139 123.025 123.025 119.244 3.781 17992 8271 1 14 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.995 0.571 17992 8272 1 14 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.056 -1.662 17992 8273 1 14 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.821 0.200 17992 8274 1 14 . 1 1 139 139 ARG H H 139 8.419 8.419 7.951 0.468 17992 8275 1 15 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.429 0.309 17992 8276 1 15 . 1 1 8 8 HIS CA C 8 55.776 55.776 57.425 -1.649 17992 8277 1 15 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.314 0.030 17992 8278 1 15 . 1 1 8 8 HIS H H 8 8.686 8.686 8.451 0.235 17992 8279 1 15 . 1 1 9 9 ALA N N 9 124.079 124.079 126.276 -2.197 17992 8280 1 15 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.455 -0.068 17992 8281 1 15 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.834 0.453 17992 8282 1 15 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.582 -1.407 17992 8283 1 15 . 1 1 9 9 ALA H H 9 8.457 8.457 8.294 0.163 17992 8284 1 15 . 1 1 10 10 MET N N 10 120.430 120.430 118.830 1.600 17992 8285 1 15 . 1 1 10 10 MET HA H 10 4.390 4.390 4.377 0.013 17992 8286 1 15 . 1 1 10 10 MET CA C 10 57.753 57.753 57.865 -0.112 17992 8287 1 15 . 1 1 10 10 MET CB C 10 32.355 32.355 32.716 -0.361 17992 8288 1 15 . 1 1 10 10 MET H H 10 8.545 8.545 8.347 0.198 17992 8289 1 15 . 1 1 11 11 VAL N N 11 119.159 119.159 115.832 3.327 17992 8290 1 15 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.132 -0.116 17992 8291 1 15 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.431 0.840 17992 8292 1 15 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.641 -0.030 17992 8293 1 15 . 1 1 11 11 VAL H H 11 8.339 8.339 8.264 0.075 17992 8294 1 15 . 1 1 12 12 ILE N N 12 119.461 119.461 119.482 -0.021 17992 8295 1 15 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.947 0.006 17992 8296 1 15 . 1 1 12 12 ILE CA C 12 64.334 64.334 62.892 1.442 17992 8297 1 15 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.407 -0.912 17992 8298 1 15 . 1 1 12 12 ILE H H 12 7.705 7.705 7.877 -0.172 17992 8299 1 15 . 1 1 13 13 ASP N N 13 119.460 119.460 119.632 -0.172 17992 8300 1 15 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.521 -0.137 17992 8301 1 15 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.018 1.506 17992 8302 1 15 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.025 -1.613 17992 8303 1 15 . 1 1 13 13 ASP H H 13 8.172 8.172 7.786 0.386 17992 8304 1 15 . 1 1 14 14 HIS N N 14 116.421 116.421 118.164 -1.743 17992 8305 1 15 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.406 0.134 17992 8306 1 15 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.315 0.433 17992 8307 1 15 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.128 -1.476 17992 8308 1 15 . 1 1 14 14 HIS H H 14 8.138 8.138 7.914 0.224 17992 8309 1 15 . 1 1 15 15 ILE N N 15 119.970 119.970 119.535 0.435 17992 8310 1 15 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.797 0.011 17992 8311 1 15 . 1 1 15 15 ILE CA C 15 65.404 65.404 62.791 2.612 17992 8312 1 15 . 1 1 15 15 ILE CB C 15 37.787 37.787 36.687 1.100 17992 8313 1 15 . 1 1 15 15 ILE H H 15 8.224 8.224 7.664 0.560 17992 8314 1 15 . 1 1 16 16 LEU N N 16 118.635 118.635 121.850 -3.215 17992 8315 1 15 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.999 0.993 17992 8316 1 15 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.512 0.274 17992 8317 1 15 . 1 1 16 16 LEU H H 16 8.480 8.480 7.657 0.823 17992 8318 1 15 . 1 1 17 17 LYS N N 17 118.257 118.257 117.678 0.579 17992 8319 1 15 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.033 0.061 17992 8320 1 15 . 1 1 17 17 LYS CA C 17 59.882 59.882 58.879 1.003 17992 8321 1 15 . 1 1 17 17 LYS CB C 17 32.216 32.216 32.062 0.154 17992 8322 1 15 . 1 1 17 17 LYS H H 17 8.098 8.098 7.804 0.294 17992 8323 1 15 . 1 1 18 18 CYS N N 18 117.220 117.220 118.783 -1.563 17992 8324 1 15 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.255 0.074 17992 8325 1 15 . 1 1 18 18 CYS CA C 18 63.218 63.218 61.985 1.233 17992 8326 1 15 . 1 1 18 18 CYS CB C 18 26.822 26.822 26.748 0.074 17992 8327 1 15 . 1 1 18 18 CYS H H 18 7.899 7.899 7.847 0.052 17992 8328 1 15 . 1 1 19 19 VAL N N 19 118.929 118.929 119.547 -0.618 17992 8329 1 15 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.926 -0.201 17992 8330 1 15 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.993 2.087 17992 8331 1 15 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.927 0.130 17992 8332 1 15 . 1 1 19 19 VAL H H 19 8.352 8.352 7.486 0.866 17992 8333 1 15 . 1 1 20 20 PHE N N 20 120.244 120.244 119.840 0.404 17992 8334 1 15 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.299 -0.025 17992 8335 1 15 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.314 1.312 17992 8336 1 15 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.374 -0.294 17992 8337 1 15 . 1 1 20 20 PHE H H 20 8.791 8.791 8.764 0.027 17992 8338 1 15 . 1 1 21 21 ASP N N 21 118.761 118.761 120.451 -1.690 17992 8339 1 15 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.409 -0.046 17992 8340 1 15 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.318 0.199 17992 8341 1 15 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.786 -0.718 17992 8342 1 15 . 1 1 21 21 ASP H H 21 8.705 8.705 7.890 0.815 17992 8343 1 15 . 1 1 22 22 LYS N N 22 118.200 118.200 119.192 -0.992 17992 8344 1 15 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.034 0.160 17992 8345 1 15 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.308 0.285 17992 8346 1 15 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.065 0.234 17992 8347 1 15 . 1 1 22 22 LYS H H 22 7.810 7.810 7.615 0.195 17992 8348 1 15 . 1 1 23 23 ILE N N 23 118.534 118.534 119.484 -0.950 17992 8349 1 15 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.583 0.198 17992 8350 1 15 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.494 0.602 17992 8351 1 15 . 1 1 23 23 ILE H H 23 8.351 8.351 7.524 0.827 17992 8352 1 15 . 1 1 24 24 CYS N N 24 117.155 117.155 115.856 1.299 17992 8353 1 15 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.202 -0.153 17992 8354 1 15 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.314 2.185 17992 8355 1 15 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.699 -1.073 17992 8356 1 15 . 1 1 24 24 CYS H H 24 8.203 8.203 7.594 0.609 17992 8357 1 15 . 1 1 25 25 LYS N N 25 119.995 119.995 121.585 -1.590 17992 8358 1 15 . 1 1 25 25 LYS CA C 25 58.762 58.762 58.545 0.217 17992 8359 1 15 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.369 0.016 17992 8360 1 15 . 1 1 25 25 LYS H H 25 7.760 7.760 7.551 0.209 17992 8361 1 15 . 1 1 26 26 ILE N N 26 119.168 119.168 118.247 0.921 17992 8362 1 15 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.964 0.010 17992 8363 1 15 . 1 1 26 26 ILE CA C 26 64.106 64.106 64.374 -0.268 17992 8364 1 15 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.774 -0.218 17992 8365 1 15 . 1 1 26 26 ILE H H 26 8.055 8.055 8.579 -0.524 17992 8366 1 15 . 1 1 27 27 GLY N N 27 108.257 108.257 105.327 2.930 17992 8367 1 15 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.700 0.289 17992 8368 1 15 . 1 1 27 27 GLY H H 27 8.568 8.568 7.909 0.659 17992 8369 1 15 . 1 1 28 28 THR N N 28 112.727 112.727 115.239 -2.512 17992 8370 1 15 . 1 1 28 28 THR HA H 28 3.912 3.912 4.366 -0.454 17992 8371 1 15 . 1 1 28 28 THR CA C 28 64.717 64.717 64.857 -0.140 17992 8372 1 15 . 1 1 28 28 THR CB C 28 69.375 69.375 69.472 -0.097 17992 8373 1 15 . 1 1 28 28 THR H H 28 8.059 8.059 7.497 0.562 17992 8374 1 15 . 1 1 29 29 GLU N N 29 120.068 120.068 120.789 -0.721 17992 8375 1 15 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.380 -0.776 17992 8376 1 15 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.896 -0.803 17992 8377 1 15 . 1 1 29 29 GLU H H 29 8.113 8.113 8.178 -0.065 17992 8378 1 15 . 1 1 30 30 SER N N 30 114.882 114.882 115.647 -0.765 17992 8379 1 15 . 1 1 30 30 SER HA H 30 4.374 4.374 4.205 0.169 17992 8380 1 15 . 1 1 30 30 SER CA C 30 60.353 60.353 60.780 -0.427 17992 8381 1 15 . 1 1 30 30 SER H H 30 8.060 8.060 7.687 0.373 17992 8382 1 15 . 1 1 31 31 VAL N N 31 122.098 122.098 118.590 3.508 17992 8383 1 15 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.693 0.324 17992 8384 1 15 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.386 -0.759 17992 8385 1 15 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.456 0.529 17992 8386 1 15 . 1 1 31 31 VAL H H 31 8.127 8.127 8.174 -0.047 17992 8387 1 15 . 1 1 32 32 GLU N N 32 120.280 120.280 120.255 0.025 17992 8388 1 15 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.049 0.269 17992 8389 1 15 . 1 1 32 32 GLU CA C 32 57.887 57.887 58.841 -0.954 17992 8390 1 15 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.365 -0.712 17992 8391 1 15 . 1 1 32 32 GLU H H 32 8.243 8.243 7.520 0.723 17992 8392 1 15 . 1 1 33 33 ALA N N 33 121.715 121.715 121.614 0.101 17992 8393 1 15 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.926 0.263 17992 8394 1 15 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.154 0.570 17992 8395 1 15 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.940 0.788 17992 8396 1 15 . 1 1 33 33 ALA H H 33 8.218 8.218 7.508 0.710 17992 8397 1 15 . 1 1 34 34 GLY N N 34 104.656 104.656 105.355 -0.699 17992 8398 1 15 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.084 0.990 17992 8399 1 15 . 1 1 34 34 GLY H H 34 8.308 8.308 7.624 0.684 17992 8400 1 15 . 1 1 35 35 ARG N N 35 119.958 119.958 121.695 -1.737 17992 8401 1 15 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.319 -0.043 17992 8402 1 15 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.274 1.751 17992 8403 1 15 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.845 0.444 17992 8404 1 15 . 1 1 35 35 ARG H H 35 7.975 7.975 7.363 0.612 17992 8405 1 15 . 1 1 36 36 LEU N N 36 118.931 118.931 121.117 -2.186 17992 8406 1 15 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.105 0.119 17992 8407 1 15 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.932 -0.129 17992 8408 1 15 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.927 0.266 17992 8409 1 15 . 1 1 36 36 LEU H H 36 7.958 7.958 8.579 -0.621 17992 8410 1 15 . 1 1 37 37 ILE N N 37 118.087 118.087 118.611 -0.524 17992 8411 1 15 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.731 0.200 17992 8412 1 15 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.612 0.247 17992 8413 1 15 . 1 1 37 37 ILE CB C 37 38.039 38.039 36.762 1.277 17992 8414 1 15 . 1 1 37 37 ILE H H 37 7.904 7.904 7.481 0.423 17992 8415 1 15 . 1 1 38 38 GLU N N 38 120.989 120.989 119.767 1.222 17992 8416 1 15 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.945 0.286 17992 8417 1 15 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.802 -1.357 17992 8418 1 15 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.343 -0.332 17992 8419 1 15 . 1 1 38 38 GLU H H 38 8.041 8.041 7.564 0.477 17992 8420 1 15 . 1 1 39 39 LEU N N 39 120.111 120.111 118.867 1.244 17992 8421 1 15 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.069 0.202 17992 8422 1 15 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.516 -0.105 17992 8423 1 15 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.413 0.882 17992 8424 1 15 . 1 1 39 39 LEU H H 39 8.173 8.173 7.699 0.474 17992 8425 1 15 . 1 1 40 40 SER N N 40 113.806 113.806 111.273 2.533 17992 8426 1 15 . 1 1 40 40 SER HA H 40 4.312 4.312 4.191 0.121 17992 8427 1 15 . 1 1 40 40 SER CA C 40 60.406 60.406 60.950 -0.544 17992 8428 1 15 . 1 1 40 40 SER CB C 40 63.646 63.646 63.150 0.496 17992 8429 1 15 . 1 1 40 40 SER H H 40 8.031 8.031 7.518 0.513 17992 8430 1 15 . 1 1 41 41 GLN N N 41 120.139 120.139 118.044 2.095 17992 8431 1 15 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.228 0.168 17992 8432 1 15 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.825 -1.224 17992 8433 1 15 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.285 0.100 17992 8434 1 15 . 1 1 41 41 GLN H H 41 7.956 7.956 7.732 0.224 17992 8435 1 15 . 1 1 42 42 GLU N N 42 119.728 119.728 115.234 4.494 17992 8436 1 15 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.350 0.023 17992 8437 1 15 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.865 0.224 17992 8438 1 15 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.908 -2.553 17992 8439 1 15 . 1 1 42 42 GLU H H 42 8.114 8.114 8.686 -0.572 17992 8440 1 15 . 1 1 43 43 GLY N N 43 108.655 108.655 107.970 0.685 17992 8441 1 15 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.413 0.210 17992 8442 1 15 . 1 1 43 43 GLY H H 43 8.325 8.325 8.039 0.286 17992 8443 1 15 . 1 1 44 44 GLY N N 44 107.872 107.872 108.173 -0.301 17992 8444 1 15 . 1 1 44 44 GLY CA C 44 45.487 45.487 45.279 0.208 17992 8445 1 15 . 1 1 44 44 GLY H H 44 8.105 8.105 7.952 0.153 17992 8446 1 15 . 1 1 48 48 GLY CA C 48 45.395 45.395 44.064 1.331 17992 8447 1 15 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.513 -0.045 17992 8448 1 15 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.303 1.127 17992 8449 1 15 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.917 0.404 17992 8450 1 15 . 1 1 50 50 LEU N N 50 116.864 116.864 118.251 -1.387 17992 8451 1 15 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.402 -0.200 17992 8452 1 15 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.311 2.238 17992 8453 1 15 . 1 1 50 50 LEU CB C 50 41.699 41.699 39.947 1.752 17992 8454 1 15 . 1 1 50 50 LEU H H 50 8.336 8.336 8.117 0.219 17992 8455 1 15 . 1 1 51 51 TYR N N 51 118.433 118.433 120.970 -2.537 17992 8456 1 15 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.075 0.090 17992 8457 1 15 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.131 -0.097 17992 8458 1 15 . 1 1 51 51 TYR CB C 51 38.484 38.484 37.358 1.126 17992 8459 1 15 . 1 1 51 51 TYR H H 51 7.765 7.765 7.892 -0.127 17992 8460 1 15 . 1 1 52 52 PHE N N 52 117.945 117.945 118.902 -0.957 17992 8461 1 15 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.472 0.788 17992 8462 1 15 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.888 0.363 17992 8463 1 15 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.792 0.527 17992 8464 1 15 . 1 1 52 52 PHE H H 52 7.873 7.873 7.397 0.476 17992 8465 1 15 . 1 1 53 53 VAL N N 53 117.468 117.468 119.041 -1.573 17992 8466 1 15 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.342 0.310 17992 8467 1 15 . 1 1 53 53 VAL CA C 53 66.298 66.298 64.732 1.566 17992 8468 1 15 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.326 0.484 17992 8469 1 15 . 1 1 53 53 VAL H H 53 7.864 7.864 7.627 0.237 17992 8470 1 15 . 1 1 54 54 VAL N N 54 116.929 116.929 120.650 -3.721 17992 8471 1 15 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.753 -0.051 17992 8472 1 15 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.337 -0.270 17992 8473 1 15 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.204 0.597 17992 8474 1 15 . 1 1 54 54 VAL H H 54 7.958 7.958 8.412 -0.454 17992 8475 1 15 . 1 1 55 55 ASN N N 55 115.543 115.543 116.872 -1.329 17992 8476 1 15 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.831 -0.201 17992 8477 1 15 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.073 0.387 17992 8478 1 15 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.451 0.478 17992 8479 1 15 . 1 1 55 55 ASN H H 55 7.823 7.823 8.031 -0.208 17992 8480 1 15 . 1 1 56 56 VAL N N 56 116.125 116.125 119.638 -3.513 17992 8481 1 15 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.660 0.437 17992 8482 1 15 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.593 -1.454 17992 8483 1 15 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.029 -0.026 17992 8484 1 15 . 1 1 56 56 VAL H H 56 7.664 7.664 7.441 0.223 17992 8485 1 15 . 1 1 57 57 ILE N N 57 116.872 116.872 118.921 -2.049 17992 8486 1 15 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.665 0.344 17992 8487 1 15 . 1 1 57 57 ILE CA C 57 63.550 63.550 64.287 -0.737 17992 8488 1 15 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.539 0.224 17992 8489 1 15 . 1 1 57 57 ILE H H 57 7.587 7.587 7.618 -0.031 17992 8490 1 15 . 1 1 58 58 GLU N N 58 118.190 118.190 120.685 -2.495 17992 8491 1 15 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.080 0.119 17992 8492 1 15 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.900 -1.595 17992 8493 1 15 . 1 1 58 58 GLU H H 58 8.114 8.114 7.853 0.261 17992 8494 1 15 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.314 0.195 17992 8495 1 15 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.269 0.292 17992 8496 1 15 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.262 0.204 17992 8497 1 15 . 1 1 60 60 CYS N N 60 115.035 115.035 117.631 -2.596 17992 8498 1 15 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.129 0.139 17992 8499 1 15 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.391 -1.278 17992 8500 1 15 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.580 -0.590 17992 8501 1 15 . 1 1 60 60 CYS H H 60 7.913 7.913 7.521 0.392 17992 8502 1 15 . 1 1 61 61 LYS N N 61 121.184 121.184 120.779 0.405 17992 8503 1 15 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.994 0.278 17992 8504 1 15 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.081 -0.992 17992 8505 1 15 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.152 0.276 17992 8506 1 15 . 1 1 61 61 LYS H H 61 8.197 8.197 8.171 0.026 17992 8507 1 15 . 1 1 62 62 LYS N N 62 118.253 118.253 117.787 0.466 17992 8508 1 15 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.962 -1.118 17992 8509 1 15 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.195 -0.105 17992 8510 1 15 . 1 1 62 62 LYS H H 62 7.982 7.982 7.869 0.113 17992 8511 1 15 . 1 1 63 63 PHE N N 63 118.763 118.763 117.095 1.668 17992 8512 1 15 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.592 -0.337 17992 8513 1 15 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.209 1.325 17992 8514 1 15 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.618 -0.468 17992 8515 1 15 . 1 1 63 63 PHE H H 63 8.155 8.155 7.582 0.573 17992 8516 1 15 . 1 1 64 64 SER N N 64 114.881 114.881 117.640 -2.759 17992 8517 1 15 . 1 1 64 64 SER HA H 64 4.268 4.268 3.730 0.538 17992 8518 1 15 . 1 1 64 64 SER CA C 64 61.588 61.588 61.838 -0.250 17992 8519 1 15 . 1 1 64 64 SER CB C 64 63.175 63.175 63.002 0.173 17992 8520 1 15 . 1 1 64 64 SER H H 64 8.218 8.218 8.049 0.169 17992 8521 1 15 . 1 1 65 65 GLU N N 65 120.937 120.937 121.045 -0.108 17992 8522 1 15 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.038 0.246 17992 8523 1 15 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.962 -0.751 17992 8524 1 15 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.403 -0.441 17992 8525 1 15 . 1 1 65 65 GLU H H 65 8.067 8.067 7.848 0.219 17992 8526 1 15 . 1 1 66 66 LEU N N 66 118.904 118.904 119.115 -0.211 17992 8527 1 15 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.071 0.192 17992 8528 1 15 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.133 0.089 17992 8529 1 15 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.462 0.863 17992 8530 1 15 . 1 1 66 66 LEU H H 66 8.003 8.003 8.005 -0.002 17992 8531 1 15 . 1 1 67 67 THR N N 67 108.190 108.190 112.959 -4.769 17992 8532 1 15 . 1 1 67 67 THR HA H 67 4.043 4.043 4.138 -0.095 17992 8533 1 15 . 1 1 67 67 THR CA C 67 64.579 64.579 66.405 -1.826 17992 8534 1 15 . 1 1 67 67 THR CB C 67 69.410 69.410 68.419 0.991 17992 8535 1 15 . 1 1 67 67 THR H H 67 7.783 7.783 7.657 0.126 17992 8536 1 15 . 1 1 68 68 GLY N N 68 108.141 108.141 107.309 0.832 17992 8537 1 15 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.405 0.839 17992 8538 1 15 . 1 1 68 68 GLY H H 68 7.964 7.964 7.601 0.363 17992 8539 1 15 . 1 1 69 69 LEU N N 69 120.124 120.124 121.103 -0.979 17992 8540 1 15 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.601 -0.249 17992 8541 1 15 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.897 0.589 17992 8542 1 15 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.567 -0.193 17992 8543 1 15 . 1 1 69 69 LEU H H 69 7.749 7.749 7.559 0.190 17992 8544 1 15 . 1 1 70 70 VAL N N 70 115.546 115.546 117.933 -2.387 17992 8545 1 15 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.896 0.039 17992 8546 1 15 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.876 -1.246 17992 8547 1 15 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.206 0.058 17992 8548 1 15 . 1 1 70 70 VAL H H 70 7.607 7.607 7.568 0.039 17992 8549 1 15 . 1 1 71 71 PHE N N 71 119.035 119.035 116.778 2.257 17992 8550 1 15 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.413 0.145 17992 8551 1 15 . 1 1 71 71 PHE CA C 71 58.547 58.547 58.979 -0.432 17992 8552 1 15 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.531 -0.231 17992 8553 1 15 . 1 1 71 71 PHE H H 71 7.618 7.618 8.068 -0.450 17992 8554 1 15 . 1 1 72 72 TYR N N 72 118.365 118.365 118.159 0.206 17992 8555 1 15 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.614 -0.035 17992 8556 1 15 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.277 -1.180 17992 8557 1 15 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.773 -1.530 17992 8558 1 15 . 1 1 72 72 TYR H H 72 7.740 7.740 7.610 0.130 17992 8559 1 15 . 1 1 73 73 LEU N N 73 121.184 121.184 122.802 -1.618 17992 8560 1 15 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.789 -0.214 17992 8561 1 15 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.525 2.024 17992 8562 1 15 . 1 1 73 73 LEU CB C 73 42.081 42.081 42.802 -0.721 17992 8563 1 15 . 1 1 73 73 LEU H H 73 7.713 7.713 7.883 -0.170 17992 8564 1 15 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.575 0.063 17992 8565 1 15 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.831 0.372 17992 8566 1 15 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.484 -0.803 17992 8567 1 15 . 1 1 75 75 THR N N 75 113.231 113.231 116.115 -2.884 17992 8568 1 15 . 1 1 75 75 THR HA H 75 4.339 4.339 4.495 -0.156 17992 8569 1 15 . 1 1 75 75 THR CA C 75 62.684 62.684 62.907 -0.224 17992 8570 1 15 . 1 1 75 75 THR H H 75 8.217 8.217 8.230 -0.013 17992 8571 1 15 . 1 1 76 76 ASP N N 76 120.892 120.892 117.386 3.506 17992 8572 1 15 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.644 0.146 17992 8573 1 15 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.587 0.652 17992 8574 1 15 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.039 -1.724 17992 8575 1 15 . 1 1 76 76 ASP H H 76 8.406 8.406 7.653 0.753 17992 8576 1 15 . 1 1 77 77 SER N N 77 115.861 115.861 114.334 1.527 17992 8577 1 15 . 1 1 77 77 SER HA H 77 4.345 4.345 4.303 0.042 17992 8578 1 15 . 1 1 77 77 SER CA C 77 60.528 60.528 59.342 1.186 17992 8579 1 15 . 1 1 77 77 SER CB C 77 63.812 63.812 63.782 0.030 17992 8580 1 15 . 1 1 77 77 SER H H 77 8.238 8.238 8.460 -0.222 17992 8581 1 15 . 1 1 78 78 GLY N N 78 110.440 110.440 106.945 3.495 17992 8582 1 15 . 1 1 78 78 GLY CA C 78 46.653 46.653 44.955 1.698 17992 8583 1 15 . 1 1 78 78 GLY H H 78 8.570 8.570 7.778 0.792 17992 8584 1 15 . 1 1 79 79 GLU N N 79 121.242 121.242 121.887 -0.645 17992 8585 1 15 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.085 0.235 17992 8586 1 15 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.377 -1.359 17992 8587 1 15 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.818 -0.736 17992 8588 1 15 . 1 1 79 79 GLU H H 79 8.237 8.237 8.517 -0.280 17992 8589 1 15 . 1 1 80 80 LYS N N 80 119.708 119.708 118.810 0.898 17992 8590 1 15 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.169 0.150 17992 8591 1 15 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.606 -0.725 17992 8592 1 15 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.610 1.136 17992 8593 1 15 . 1 1 80 80 LYS H H 80 8.252 8.252 8.572 -0.320 17992 8594 1 15 . 1 1 81 81 MET N N 81 119.849 119.849 116.968 2.881 17992 8595 1 15 . 1 1 81 81 MET HA H 81 4.367 4.367 4.331 0.036 17992 8596 1 15 . 1 1 81 81 MET CA C 81 57.845 57.845 58.885 -1.040 17992 8597 1 15 . 1 1 81 81 MET CB C 81 32.658 32.658 32.263 0.395 17992 8598 1 15 . 1 1 81 81 MET H H 81 8.419 8.419 7.683 0.736 17992 8599 1 15 . 1 1 82 82 THR N N 82 114.947 114.947 115.411 -0.464 17992 8600 1 15 . 1 1 82 82 THR HA H 82 4.132 4.132 4.001 0.131 17992 8601 1 15 . 1 1 82 82 THR CA C 82 65.377 65.377 65.956 -0.579 17992 8602 1 15 . 1 1 82 82 THR CB C 82 69.035 69.035 68.229 0.806 17992 8603 1 15 . 1 1 82 82 THR H H 82 8.115 8.115 8.318 -0.203 17992 8604 1 15 . 1 1 83 83 GLU N N 83 121.416 121.416 119.118 2.298 17992 8605 1 15 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.250 0.123 17992 8606 1 15 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.426 -0.362 17992 8607 1 15 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.758 -0.816 17992 8608 1 15 . 1 1 83 83 GLU H H 83 8.336 8.336 7.839 0.497 17992 8609 1 15 . 1 1 84 84 SER N N 84 115.783 115.783 114.133 1.650 17992 8610 1 15 . 1 1 84 84 SER HA H 84 4.278 4.278 4.478 -0.200 17992 8611 1 15 . 1 1 84 84 SER CA C 84 61.685 61.685 60.723 0.962 17992 8612 1 15 . 1 1 84 84 SER H H 84 8.191 8.191 8.106 0.085 17992 8613 1 15 . 1 1 85 85 LYS N N 85 121.318 121.318 122.696 -1.378 17992 8614 1 15 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.019 0.066 17992 8615 1 15 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.156 0.632 17992 8616 1 15 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.228 0.202 17992 8617 1 15 . 1 1 85 85 LYS H H 85 8.113 8.113 7.479 0.634 17992 8618 1 15 . 1 1 86 86 SER N N 86 115.042 115.042 114.280 0.762 17992 8619 1 15 . 1 1 86 86 SER HA H 86 4.389 4.389 4.244 0.145 17992 8620 1 15 . 1 1 86 86 SER CA C 86 61.437 61.437 60.662 0.775 17992 8621 1 15 . 1 1 86 86 SER CB C 86 63.116 63.116 62.695 0.421 17992 8622 1 15 . 1 1 86 86 SER H H 86 8.066 8.066 7.833 0.233 17992 8623 1 15 . 1 1 87 87 VAL N N 87 122.920 122.920 120.594 2.326 17992 8624 1 15 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.888 0.492 17992 8625 1 15 . 1 1 87 87 VAL CA C 87 66.123 66.123 64.698 1.425 17992 8626 1 15 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.271 0.108 17992 8627 1 15 . 1 1 87 87 VAL H H 87 8.103 8.103 7.327 0.776 17992 8628 1 15 . 1 1 88 88 LEU N N 88 119.501 119.501 119.741 -0.240 17992 8629 1 15 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.019 0.103 17992 8630 1 15 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.421 0.485 17992 8631 1 15 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.363 0.581 17992 8632 1 15 . 1 1 88 88 LEU H H 88 8.146 8.146 7.813 0.333 17992 8633 1 15 . 1 1 89 89 LYS N N 89 120.285 120.285 119.779 0.506 17992 8634 1 15 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.084 0.011 17992 8635 1 15 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.285 0.602 17992 8636 1 15 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.502 -0.276 17992 8637 1 15 . 1 1 89 89 LYS H H 89 8.245 8.245 7.569 0.676 17992 8638 1 15 . 1 1 90 90 SER N N 90 115.131 115.131 114.395 0.736 17992 8639 1 15 . 1 1 90 90 SER HA H 90 4.362 4.362 4.337 0.025 17992 8640 1 15 . 1 1 90 90 SER CA C 90 61.815 61.815 60.851 0.964 17992 8641 1 15 . 1 1 90 90 SER H H 90 8.037 8.037 7.813 0.224 17992 8642 1 15 . 1 1 91 91 LEU N N 91 120.855 120.855 122.271 -1.416 17992 8643 1 15 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.296 -0.148 17992 8644 1 15 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.464 0.949 17992 8645 1 15 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.855 0.320 17992 8646 1 15 . 1 1 91 91 LEU H H 91 8.445 8.445 7.242 1.203 17992 8647 1 15 . 1 1 92 92 THR N N 92 112.933 112.933 115.598 -2.665 17992 8648 1 15 . 1 1 92 92 THR HA H 92 3.904 3.904 3.916 -0.012 17992 8649 1 15 . 1 1 92 92 THR CA C 92 67.390 67.390 66.322 1.068 17992 8650 1 15 . 1 1 92 92 THR CB C 92 69.367 69.367 68.126 1.241 17992 8651 1 15 . 1 1 92 92 THR H H 92 8.383 8.383 7.595 0.788 17992 8652 1 15 . 1 1 93 93 GLU N N 93 120.387 120.387 120.210 0.177 17992 8653 1 15 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.601 -0.114 17992 8654 1 15 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.480 -0.335 17992 8655 1 15 . 1 1 93 93 GLU H H 93 7.971 7.971 8.272 -0.301 17992 8656 1 15 . 1 1 94 94 LYS N N 94 118.470 118.470 117.475 0.995 17992 8657 1 15 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.158 0.008 17992 8658 1 15 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.891 1.155 17992 8659 1 15 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.583 -0.236 17992 8660 1 15 . 1 1 94 94 LYS H H 94 7.804 7.804 7.824 -0.020 17992 8661 1 15 . 1 1 95 95 LEU N N 95 118.397 118.397 118.725 -0.328 17992 8662 1 15 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.252 -0.093 17992 8663 1 15 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.522 1.355 17992 8664 1 15 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.056 -0.107 17992 8665 1 15 . 1 1 95 95 LEU H H 95 8.256 8.256 7.379 0.877 17992 8666 1 15 . 1 1 96 96 LYS N N 96 117.747 117.747 119.646 -1.899 17992 8667 1 15 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.015 -0.075 17992 8668 1 15 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.547 0.735 17992 8669 1 15 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.874 0.475 17992 8670 1 15 . 1 1 96 96 LYS H H 96 8.105 8.105 8.557 -0.452 17992 8671 1 15 . 1 1 97 97 LYS N N 97 116.451 116.451 119.499 -3.048 17992 8672 1 15 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.181 -0.014 17992 8673 1 15 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.562 0.981 17992 8674 1 15 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.987 0.164 17992 8675 1 15 . 1 1 97 97 LYS H H 97 7.520 7.520 7.757 -0.237 17992 8676 1 15 . 1 1 98 98 ILE N N 98 117.587 117.587 122.107 -4.520 17992 8677 1 15 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.746 0.184 17992 8678 1 15 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.798 0.501 17992 8679 1 15 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.054 -0.305 17992 8680 1 15 . 1 1 98 98 ILE H H 98 7.782 7.782 7.531 0.251 17992 8681 1 15 . 1 1 99 99 VAL N N 99 116.989 116.989 117.875 -0.886 17992 8682 1 15 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.625 0.200 17992 8683 1 15 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.293 0.670 17992 8684 1 15 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.430 0.052 17992 8685 1 15 . 1 1 99 99 VAL H H 99 7.917 7.917 7.429 0.488 17992 8686 1 15 . 1 1 100 100 GLU N N 100 116.782 116.782 118.278 -1.496 17992 8687 1 15 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.188 0.025 17992 8688 1 15 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.878 0.096 17992 8689 1 15 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.436 -1.513 17992 8690 1 15 . 1 1 100 100 GLU H H 100 7.702 7.702 7.922 -0.220 17992 8691 1 15 . 1 1 101 101 LEU N N 101 118.218 118.218 119.277 -1.059 17992 8692 1 15 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.312 -0.157 17992 8693 1 15 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.546 -0.810 17992 8694 1 15 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.594 -0.555 17992 8695 1 15 . 1 1 101 101 LEU H H 101 7.751 7.751 7.747 0.004 17992 8696 1 15 . 1 1 102 102 ILE N N 102 119.412 119.412 117.664 1.748 17992 8697 1 15 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.422 -0.695 17992 8698 1 15 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.739 3.071 17992 8699 1 15 . 1 1 102 102 ILE H H 102 7.559 7.559 7.744 -0.185 17992 8700 1 15 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.614 -0.027 17992 8701 1 15 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.896 1.393 17992 8702 1 15 . 1 1 103 103 PRO CB C 103 31.886 31.886 30.586 1.300 17992 8703 1 15 . 1 1 104 104 SER N N 104 112.794 112.794 120.451 -7.657 17992 8704 1 15 . 1 1 104 104 SER HA H 104 4.571 4.571 4.162 0.409 17992 8705 1 15 . 1 1 104 104 SER CA C 104 59.286 59.286 60.130 -0.844 17992 8706 1 15 . 1 1 104 104 SER CB C 104 63.849 63.849 63.464 0.385 17992 8707 1 15 . 1 1 104 104 SER H H 104 8.100 8.100 8.498 -0.398 17992 8708 1 15 . 1 1 105 105 THR N N 105 114.655 114.655 109.704 4.951 17992 8709 1 15 . 1 1 105 105 THR HA H 105 4.318 4.318 4.583 -0.265 17992 8710 1 15 . 1 1 105 105 THR CA C 105 64.056 64.056 61.222 2.834 17992 8711 1 15 . 1 1 105 105 THR CB C 105 69.861 69.861 71.931 -2.071 17992 8712 1 15 . 1 1 105 105 THR H H 105 8.186 8.186 7.764 0.422 17992 8713 1 15 . 1 1 106 106 SER N N 106 116.165 116.165 116.286 -0.121 17992 8714 1 15 . 1 1 106 106 SER HA H 106 4.344 4.344 4.522 -0.178 17992 8715 1 15 . 1 1 106 106 SER CA C 106 60.864 60.864 59.328 1.536 17992 8716 1 15 . 1 1 106 106 SER CB C 106 63.462 63.462 62.998 0.464 17992 8717 1 15 . 1 1 106 106 SER H H 106 8.200 8.200 8.541 -0.341 17992 8718 1 15 . 1 1 107 107 SER N N 107 116.732 116.732 116.620 0.112 17992 8719 1 15 . 1 1 107 107 SER HA H 107 4.413 4.413 4.344 0.069 17992 8720 1 15 . 1 1 107 107 SER CA C 107 60.051 60.051 60.466 -0.415 17992 8721 1 15 . 1 1 107 107 SER CB C 107 63.921 63.921 63.425 0.496 17992 8722 1 15 . 1 1 107 107 SER H H 107 8.114 8.114 8.072 0.042 17992 8723 1 15 . 1 1 108 108 ALA N N 108 122.523 122.523 123.289 -0.766 17992 8724 1 15 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.349 0.085 17992 8725 1 15 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.128 -0.646 17992 8726 1 15 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.661 0.670 17992 8727 1 15 . 1 1 108 108 ALA H H 108 8.022 8.022 7.498 0.524 17992 8728 1 15 . 1 1 109 109 VAL N N 109 117.146 117.146 120.154 -3.008 17992 8729 1 15 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.781 0.007 17992 8730 1 15 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.149 -1.314 17992 8731 1 15 . 1 1 109 109 VAL H H 109 7.829 7.829 7.954 -0.125 17992 8732 1 15 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.349 0.131 17992 8733 1 15 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.149 0.296 17992 8734 1 15 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.392 -0.013 17992 8735 1 15 . 1 1 111 111 LEU N N 111 117.393 117.393 119.017 -1.624 17992 8736 1 15 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.264 -0.051 17992 8737 1 15 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.757 1.025 17992 8738 1 15 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.299 0.149 17992 8739 1 15 . 1 1 111 111 LEU H H 111 7.538 7.538 7.071 0.467 17992 8740 1 15 . 1 1 112 112 ILE N N 112 117.001 117.001 120.559 -3.558 17992 8741 1 15 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.847 0.154 17992 8742 1 15 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.877 -0.251 17992 8743 1 15 . 1 1 112 112 ILE H H 112 8.118 8.118 8.762 -0.644 17992 8744 1 15 . 1 1 113 113 GLY N N 113 106.840 106.840 107.014 -0.174 17992 8745 1 15 . 1 1 113 113 GLY CA C 113 47.772 47.772 46.939 0.833 17992 8746 1 15 . 1 1 113 113 GLY H H 113 8.409 8.409 8.155 0.254 17992 8747 1 15 . 1 1 114 114 LYS N N 114 120.736 120.736 121.993 -1.257 17992 8748 1 15 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.163 -0.043 17992 8749 1 15 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.784 0.354 17992 8750 1 15 . 1 1 114 114 LYS H H 114 7.847 7.847 7.895 -0.048 17992 8751 1 15 . 1 1 115 115 TYR N N 115 117.055 117.055 119.531 -2.476 17992 8752 1 15 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.240 0.032 17992 8753 1 15 . 1 1 115 115 TYR CA C 115 60.430 60.430 61.715 -1.285 17992 8754 1 15 . 1 1 115 115 TYR H H 115 7.891 7.891 7.521 0.370 17992 8755 1 15 . 1 1 116 116 MET H H 116 8.170 8.170 8.755 -0.586 17992 8756 1 15 . 1 1 117 117 LEU N N 117 117.768 117.768 119.414 -1.646 17992 8757 1 15 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.064 -0.155 17992 8758 1 15 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.475 1.119 17992 8759 1 15 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.827 -0.491 17992 8760 1 15 . 1 1 117 117 LEU H H 117 7.781 7.781 7.598 0.183 17992 8761 1 15 . 1 1 118 118 PHE N N 118 118.204 118.204 119.152 -0.948 17992 8762 1 15 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.101 0.327 17992 8763 1 15 . 1 1 118 118 PHE CA C 118 60.735 60.735 62.113 -1.378 17992 8764 1 15 . 1 1 118 118 PHE H H 118 8.024 8.024 7.962 0.062 17992 8765 1 15 . 1 1 119 119 THR N N 119 114.941 114.941 113.645 1.296 17992 8766 1 15 . 1 1 119 119 THR HA H 119 3.972 3.972 4.187 -0.215 17992 8767 1 15 . 1 1 119 119 THR CA C 119 67.518 67.518 66.490 1.028 17992 8768 1 15 . 1 1 119 119 THR CB C 119 69.194 69.194 68.567 0.628 17992 8769 1 15 . 1 1 119 119 THR H H 119 8.171 8.171 7.900 0.271 17992 8770 1 15 . 1 1 120 120 LYS N N 120 121.758 121.758 121.387 0.371 17992 8771 1 15 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.109 -0.129 17992 8772 1 15 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.184 1.626 17992 8773 1 15 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.243 0.272 17992 8774 1 15 . 1 1 120 120 LYS H H 120 8.359 8.359 7.314 1.045 17992 8775 1 15 . 1 1 121 121 GLU N N 121 117.504 117.504 119.064 -1.560 17992 8776 1 15 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.120 0.094 17992 8777 1 15 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.629 0.611 17992 8778 1 15 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.696 -1.313 17992 8779 1 15 . 1 1 121 121 GLU H H 121 8.222 8.222 8.140 0.082 17992 8780 1 15 . 1 1 122 122 PHE N N 122 121.586 121.586 120.759 0.827 17992 8781 1 15 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.188 0.106 17992 8782 1 15 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.187 0.387 17992 8783 1 15 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.251 0.108 17992 8784 1 15 . 1 1 122 122 PHE H H 122 8.562 8.562 7.837 0.725 17992 8785 1 15 . 1 1 123 123 VAL N N 123 121.558 121.558 118.858 2.700 17992 8786 1 15 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.765 -0.249 17992 8787 1 15 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.175 1.433 17992 8788 1 15 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.703 0.758 17992 8789 1 15 . 1 1 123 123 VAL H H 123 8.784 8.784 7.695 1.089 17992 8790 1 15 . 1 1 124 124 GLU N N 124 118.314 118.314 120.380 -2.066 17992 8791 1 15 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.050 -0.008 17992 8792 1 15 . 1 1 124 124 GLU CA C 124 60.207 60.207 58.948 1.259 17992 8793 1 15 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.930 -0.505 17992 8794 1 15 . 1 1 124 124 GLU H H 124 8.564 8.564 7.698 0.866 17992 8795 1 15 . 1 1 125 125 SER N N 125 114.779 114.779 115.401 -0.622 17992 8796 1 15 . 1 1 125 125 SER HA H 125 4.265 4.265 4.100 0.165 17992 8797 1 15 . 1 1 125 125 SER CA C 125 62.342 62.342 61.165 1.177 17992 8798 1 15 . 1 1 125 125 SER CB C 125 63.162 63.162 62.778 0.384 17992 8799 1 15 . 1 1 125 125 SER H H 125 8.348 8.348 7.990 0.358 17992 8800 1 15 . 1 1 126 126 SER N N 126 118.464 118.464 117.726 0.738 17992 8801 1 15 . 1 1 126 126 SER HA H 126 4.069 4.069 4.312 -0.243 17992 8802 1 15 . 1 1 126 126 SER CA C 126 62.846 62.846 62.121 0.725 17992 8803 1 15 . 1 1 126 126 SER H H 126 8.144 8.144 7.790 0.354 17992 8804 1 15 . 1 1 127 127 ILE N N 127 124.705 124.705 117.719 6.986 17992 8805 1 15 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.250 -0.569 17992 8806 1 15 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.233 2.408 17992 8807 1 15 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.792 0.242 17992 8808 1 15 . 1 1 127 127 ILE H H 127 8.280 8.280 7.552 0.728 17992 8809 1 15 . 1 1 128 128 LYS N N 128 119.907 119.907 121.057 -1.150 17992 8810 1 15 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.448 0.437 17992 8811 1 15 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.646 -0.398 17992 8812 1 15 . 1 1 128 128 LYS H H 128 7.741 7.741 7.647 0.094 17992 8813 1 15 . 1 1 129 129 ILE N N 129 118.807 118.807 117.545 1.262 17992 8814 1 15 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.926 0.181 17992 8815 1 15 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.806 -0.414 17992 8816 1 15 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.662 -0.612 17992 8817 1 15 . 1 1 129 129 ILE H H 129 8.215 8.215 8.226 -0.011 17992 8818 1 15 . 1 1 130 130 THR N N 130 117.328 117.328 113.189 4.139 17992 8819 1 15 . 1 1 130 130 THR HA H 130 3.921 3.921 3.932 -0.011 17992 8820 1 15 . 1 1 130 130 THR CA C 130 68.210 68.210 66.022 2.188 17992 8821 1 15 . 1 1 130 130 THR H H 130 7.988 7.988 7.924 0.064 17992 8822 1 15 . 1 1 131 131 GLU N N 131 118.968 118.968 121.432 -2.464 17992 8823 1 15 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.072 -0.094 17992 8824 1 15 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.621 0.979 17992 8825 1 15 . 1 1 131 131 GLU H H 131 8.439 8.439 7.744 0.695 17992 8826 1 15 . 1 1 132 132 GLU N N 132 118.712 118.712 118.872 -0.160 17992 8827 1 15 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.275 -0.049 17992 8828 1 15 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.211 1.056 17992 8829 1 15 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.162 -1.542 17992 8830 1 15 . 1 1 132 132 GLU H H 132 7.987 7.987 7.814 0.173 17992 8831 1 15 . 1 1 133 133 VAL N N 133 120.060 120.060 120.807 -0.747 17992 8832 1 15 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.756 0.111 17992 8833 1 15 . 1 1 133 133 VAL CA C 133 66.330 66.330 65.260 1.070 17992 8834 1 15 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.678 0.478 17992 8835 1 15 . 1 1 133 133 VAL H H 133 8.341 8.341 7.526 0.815 17992 8836 1 15 . 1 1 134 134 ILE N N 134 119.699 119.699 116.074 3.625 17992 8837 1 15 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.895 -0.035 17992 8838 1 15 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.294 1.890 17992 8839 1 15 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.292 0.610 17992 8840 1 15 . 1 1 134 134 ILE H H 134 8.331 8.331 7.462 0.869 17992 8841 1 15 . 1 1 135 135 ASN N N 135 117.396 117.396 118.174 -0.778 17992 8842 1 15 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.432 0.243 17992 8843 1 15 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.309 -0.805 17992 8844 1 15 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.442 0.685 17992 8845 1 15 . 1 1 135 135 ASN H H 135 8.318 8.318 8.278 0.040 17992 8846 1 15 . 1 1 136 136 THR N N 136 111.419 111.419 113.157 -1.738 17992 8847 1 15 . 1 1 136 136 THR HA H 136 4.308 4.308 4.409 -0.101 17992 8848 1 15 . 1 1 136 136 THR CA C 136 63.872 63.872 65.582 -1.710 17992 8849 1 15 . 1 1 136 136 THR CB C 136 69.779 69.779 69.486 0.293 17992 8850 1 15 . 1 1 136 136 THR H H 136 8.006 8.006 7.795 0.211 17992 8851 1 15 . 1 1 137 137 HIS N N 137 118.612 118.612 119.017 -0.405 17992 8852 1 15 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.374 0.329 17992 8853 1 15 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.934 -2.474 17992 8854 1 15 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.600 -0.888 17992 8855 1 15 . 1 1 137 137 HIS H H 137 8.013 8.013 7.779 0.234 17992 8856 1 15 . 1 1 138 138 HIS N N 138 118.709 118.709 117.483 1.226 17992 8857 1 15 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.464 0.362 17992 8858 1 15 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.230 -2.716 17992 8859 1 15 . 1 1 138 138 HIS CB C 138 29.246 29.246 31.068 -1.822 17992 8860 1 15 . 1 1 138 138 HIS H H 138 8.169 8.169 8.072 0.097 17992 8861 1 15 . 1 1 139 139 ARG N N 139 123.025 123.025 119.402 3.623 17992 8862 1 15 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.078 0.488 17992 8863 1 15 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.348 -1.954 17992 8864 1 15 . 1 1 139 139 ARG CB C 139 31.021 31.021 31.118 -0.097 17992 8865 1 15 . 1 1 139 139 ARG H H 139 8.419 8.419 7.842 0.577 17992 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 121 2.003 0.274 1.992 17992 2 1 1 "Average Difference" HA 131 0.245 -0.074 0.234 17992 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17992 4 1 1 "Average Difference" CA 128 1.170 -0.385 1.109 17992 5 1 1 "Average Difference" CB 104 0.748 0.065 0.749 17992 6 1 1 "Average Difference" HN 123 0.446 -0.235 0.381 17992 7 1 2 "Average Difference" N 121 1.996 0.190 1.995 17992 8 1 2 "Average Difference" HA 131 0.287 -0.073 0.279 17992 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17992 10 1 2 "Average Difference" CA 128 1.167 -0.303 1.131 17992 11 1 2 "Average Difference" CB 104 0.764 0.057 0.765 17992 12 1 2 "Average Difference" HN 123 0.501 -0.278 0.418 17992 13 1 3 "Average Difference" N 121 2.093 0.270 2.084 17992 14 1 3 "Average Difference" HA 131 0.300 -0.067 0.293 17992 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17992 16 1 3 "Average Difference" CA 128 1.137 -0.307 1.099 17992 17 1 3 "Average Difference" CB 104 0.759 0.054 0.761 17992 18 1 3 "Average Difference" HN 123 0.441 -0.238 0.373 17992 19 1 4 "Average Difference" N 121 2.108 0.135 2.113 17992 20 1 4 "Average Difference" HA 131 0.279 -0.077 0.270 17992 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17992 22 1 4 "Average Difference" CA 128 1.239 -0.361 1.190 17992 23 1 4 "Average Difference" CB 104 0.728 0.094 0.726 17992 24 1 4 "Average Difference" HN 123 0.438 -0.219 0.381 17992 25 1 5 "Average Difference" N 121 2.318 0.249 2.314 17992 26 1 5 "Average Difference" HA 131 0.231 -0.054 0.225 17992 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17992 28 1 5 "Average Difference" CA 128 1.190 -0.265 1.165 17992 29 1 5 "Average Difference" CB 104 0.784 0.109 0.780 17992 30 1 5 "Average Difference" HN 123 0.477 -0.262 0.400 17992 31 1 6 "Average Difference" N 121 2.128 0.219 2.126 17992 32 1 6 "Average Difference" HA 131 0.313 -0.079 0.304 17992 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17992 34 1 6 "Average Difference" CA 128 1.227 -0.348 1.182 17992 35 1 6 "Average Difference" CB 104 0.704 0.000 0.708 17992 36 1 6 "Average Difference" HN 123 0.455 -0.247 0.384 17992 37 1 7 "Average Difference" N 121 2.117 0.120 2.122 17992 38 1 7 "Average Difference" HA 131 0.220 -0.060 0.213 17992 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17992 40 1 7 "Average Difference" CA 128 1.106 -0.371 1.045 17992 41 1 7 "Average Difference" CB 104 0.760 0.107 0.756 17992 42 1 7 "Average Difference" HN 123 0.459 -0.264 0.377 17992 43 1 8 "Average Difference" N 121 2.258 0.267 2.251 17992 44 1 8 "Average Difference" HA 131 0.244 -0.064 0.236 17992 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17992 46 1 8 "Average Difference" CA 128 1.190 -0.362 1.138 17992 47 1 8 "Average Difference" CB 104 0.748 0.120 0.742 17992 48 1 8 "Average Difference" HN 123 0.457 -0.258 0.378 17992 49 1 9 "Average Difference" N 121 2.081 0.311 2.066 17992 50 1 9 "Average Difference" HA 131 0.272 -0.081 0.260 17992 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17992 52 1 9 "Average Difference" CA 128 1.146 -0.350 1.096 17992 53 1 9 "Average Difference" CB 104 0.787 -0.005 0.791 17992 54 1 9 "Average Difference" HN 123 0.463 -0.248 0.392 17992 55 1 10 "Average Difference" N 121 2.114 0.215 2.112 17992 56 1 10 "Average Difference" HA 131 0.242 -0.061 0.235 17992 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17992 58 1 10 "Average Difference" CA 128 1.194 -0.309 1.158 17992 59 1 10 "Average Difference" CB 104 0.737 0.127 0.729 17992 60 1 10 "Average Difference" HN 123 0.442 -0.234 0.377 17992 61 1 11 "Average Difference" N 121 2.026 0.238 2.020 17992 62 1 11 "Average Difference" HA 131 0.245 -0.065 0.237 17992 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17992 64 1 11 "Average Difference" CA 128 1.199 -0.330 1.158 17992 65 1 11 "Average Difference" CB 104 0.748 0.131 0.740 17992 66 1 11 "Average Difference" HN 123 0.459 -0.230 0.399 17992 67 1 12 "Average Difference" N 121 2.293 0.426 2.263 17992 68 1 12 "Average Difference" HA 131 0.297 -0.066 0.291 17992 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17992 70 1 12 "Average Difference" CA 128 1.143 -0.305 1.106 17992 71 1 12 "Average Difference" CB 104 0.775 0.016 0.778 17992 72 1 12 "Average Difference" HN 123 0.458 -0.247 0.387 17992 73 1 13 "Average Difference" N 121 1.947 0.278 1.935 17992 74 1 13 "Average Difference" HA 131 0.229 -0.050 0.225 17992 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17992 76 1 13 "Average Difference" CA 128 1.199 -0.306 1.164 17992 77 1 13 "Average Difference" CB 104 0.765 0.114 0.760 17992 78 1 13 "Average Difference" HN 123 0.453 -0.255 0.375 17992 79 1 14 "Average Difference" N 121 2.311 0.259 2.306 17992 80 1 14 "Average Difference" HA 131 0.284 -0.084 0.273 17992 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17992 82 1 14 "Average Difference" CA 128 1.208 -0.329 1.167 17992 83 1 14 "Average Difference" CB 104 0.737 0.056 0.739 17992 84 1 14 "Average Difference" HN 123 0.463 -0.245 0.395 17992 85 1 15 "Average Difference" N 121 2.187 0.235 2.183 17992 86 1 15 "Average Difference" HA 131 0.258 -0.076 0.247 17992 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17992 88 1 15 "Average Difference" CA 128 1.173 -0.299 1.139 17992 89 1 15 "Average Difference" CB 104 0.789 0.053 0.791 17992 90 1 15 "Average Difference" HN 123 0.467 -0.246 0.398 17992 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 17992 _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 8 8 HIS HA H 8 4.738 4.738 4.608 0.130 17992 2 1 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.552 0.224 17992 3 1 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.970 -0.626 17992 4 1 . 1 1 8 8 HIS H H 8 8.686 8.686 8.130 0.556 17992 5 1 . 1 1 9 9 ALA N N 9 124.079 124.079 125.616 -1.537 17992 6 1 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.393 -0.006 17992 7 1 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.911 0.376 17992 8 1 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.197 -1.022 17992 9 1 . 1 1 9 9 ALA H H 9 8.457 8.457 8.396 0.061 17992 10 1 . 1 1 10 10 MET N N 10 120.430 120.430 118.872 1.558 17992 11 1 . 1 1 10 10 MET HA H 10 4.390 4.390 4.301 0.089 17992 12 1 . 1 1 10 10 MET CA C 10 57.753 57.753 58.174 -0.421 17992 13 1 . 1 1 10 10 MET CB C 10 32.355 32.355 32.803 -0.448 17992 14 1 . 1 1 10 10 MET H H 10 8.545 8.545 8.194 0.351 17992 15 1 . 1 1 11 11 VAL N N 11 119.159 119.159 115.398 3.761 17992 16 1 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.981 0.035 17992 17 1 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.960 1.311 17992 18 1 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.385 0.226 17992 19 1 . 1 1 11 11 VAL H H 11 8.339 8.339 7.928 0.411 17992 20 1 . 1 1 12 12 ILE N N 12 119.461 119.461 119.846 -0.385 17992 21 1 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.015 -0.062 17992 22 1 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.220 1.114 17992 23 1 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.336 -0.840 17992 24 1 . 1 1 12 12 ILE H H 12 7.705 7.705 7.834 -0.129 17992 25 1 . 1 1 13 13 ASP N N 13 119.460 119.460 119.888 -0.428 17992 26 1 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.522 -0.138 17992 27 1 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.292 1.232 17992 28 1 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.879 -1.467 17992 29 1 . 1 1 13 13 ASP H H 13 8.172 8.172 7.780 0.392 17992 30 1 . 1 1 14 14 HIS N N 14 116.421 116.421 117.567 -1.146 17992 31 1 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.470 0.070 17992 32 1 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.301 0.447 17992 33 1 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.282 -1.630 17992 34 1 . 1 1 14 14 HIS H H 14 8.138 8.138 7.992 0.146 17992 35 1 . 1 1 15 15 ILE N N 15 119.970 119.970 119.653 0.317 17992 36 1 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.850 -0.042 17992 37 1 . 1 1 15 15 ILE CA C 15 65.404 65.404 63.872 1.532 17992 38 1 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.570 0.217 17992 39 1 . 1 1 15 15 ILE H H 15 8.224 8.224 7.613 0.611 17992 40 1 . 1 1 16 16 LEU N N 16 118.635 118.635 121.920 -3.285 17992 41 1 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.933 1.059 17992 42 1 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.296 0.490 17992 43 1 . 1 1 16 16 LEU H H 16 8.480 8.480 7.778 0.702 17992 44 1 . 1 1 17 17 LYS N N 17 118.257 118.257 117.623 0.634 17992 45 1 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.019 0.075 17992 46 1 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.038 0.844 17992 47 1 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.799 0.417 17992 48 1 . 1 1 17 17 LYS H H 17 8.098 8.098 7.915 0.183 17992 49 1 . 1 1 18 18 CYS N N 18 117.220 117.220 118.691 -1.471 17992 50 1 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.271 0.058 17992 51 1 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.749 0.469 17992 52 1 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.442 -0.620 17992 53 1 . 1 1 18 18 CYS H H 18 7.899 7.899 7.924 -0.025 17992 54 1 . 1 1 19 19 VAL N N 19 118.929 118.929 119.712 -0.783 17992 55 1 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.963 -0.238 17992 56 1 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.920 2.160 17992 57 1 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.022 0.035 17992 58 1 . 1 1 19 19 VAL H H 19 8.352 8.352 7.581 0.771 17992 59 1 . 1 1 20 20 PHE N N 20 120.244 120.244 119.851 0.393 17992 60 1 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.304 -0.030 17992 61 1 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.463 1.163 17992 62 1 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.368 -0.288 17992 63 1 . 1 1 20 20 PHE H H 20 8.791 8.791 8.773 0.018 17992 64 1 . 1 1 21 21 ASP N N 21 118.761 118.761 120.385 -1.624 17992 65 1 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.399 -0.036 17992 66 1 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.462 0.055 17992 67 1 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.882 -0.814 17992 68 1 . 1 1 21 21 ASP H H 21 8.705 8.705 7.908 0.797 17992 69 1 . 1 1 22 22 LYS N N 22 118.200 118.200 119.593 -1.393 17992 70 1 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.072 0.122 17992 71 1 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.997 -0.404 17992 72 1 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.379 -0.080 17992 73 1 . 1 1 22 22 LYS H H 22 7.810 7.810 7.634 0.176 17992 74 1 . 1 1 23 23 ILE N N 23 118.534 118.534 119.227 -0.693 17992 75 1 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.519 0.262 17992 76 1 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.650 0.446 17992 77 1 . 1 1 23 23 ILE H H 23 8.351 8.351 7.592 0.759 17992 78 1 . 1 1 24 24 CYS N N 24 117.155 117.155 115.907 1.248 17992 79 1 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.169 -0.120 17992 80 1 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.031 1.468 17992 81 1 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.473 -0.847 17992 82 1 . 1 1 24 24 CYS H H 24 8.203 8.203 7.704 0.499 17992 83 1 . 1 1 25 25 LYS N N 25 119.995 119.995 121.375 -1.380 17992 84 1 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.044 -0.282 17992 85 1 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.527 -0.142 17992 86 1 . 1 1 25 25 LYS H H 25 7.760 7.760 7.502 0.258 17992 87 1 . 1 1 26 26 ILE N N 26 119.168 119.168 118.672 0.496 17992 88 1 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.761 0.213 17992 89 1 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.790 0.316 17992 90 1 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.661 -0.105 17992 91 1 . 1 1 26 26 ILE H H 26 8.055 8.055 8.425 -0.370 17992 92 1 . 1 1 27 27 GLY N N 27 108.257 108.257 105.970 2.287 17992 93 1 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.138 -0.149 17992 94 1 . 1 1 27 27 GLY H H 27 8.568 8.568 7.737 0.831 17992 95 1 . 1 1 28 28 THR N N 28 112.727 112.727 113.793 -1.066 17992 96 1 . 1 1 28 28 THR HA H 28 3.912 3.912 4.257 -0.345 17992 97 1 . 1 1 28 28 THR CA C 28 64.717 64.717 64.317 0.400 17992 98 1 . 1 1 28 28 THR CB C 28 69.375 69.375 69.045 0.330 17992 99 1 . 1 1 28 28 THR H H 28 8.059 8.059 7.622 0.437 17992 100 1 . 1 1 29 29 GLU N N 29 120.068 120.068 121.302 -1.234 17992 101 1 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.126 -1.522 17992 102 1 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.475 -0.382 17992 103 1 . 1 1 29 29 GLU H H 29 8.113 8.113 7.842 0.271 17992 104 1 . 1 1 30 30 SER N N 30 114.882 114.882 115.283 -0.401 17992 105 1 . 1 1 30 30 SER HA H 30 4.374 4.374 4.185 0.189 17992 106 1 . 1 1 30 30 SER CA C 30 60.353 60.353 61.075 -0.722 17992 107 1 . 1 1 30 30 SER H H 30 8.060 8.060 7.814 0.246 17992 108 1 . 1 1 31 31 VAL N N 31 122.098 122.098 119.851 2.247 17992 109 1 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.688 0.329 17992 110 1 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.397 -0.770 17992 111 1 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.326 0.659 17992 112 1 . 1 1 31 31 VAL H H 31 8.127 8.127 7.816 0.311 17992 113 1 . 1 1 32 32 GLU N N 32 120.280 120.280 119.938 0.342 17992 114 1 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.084 0.234 17992 115 1 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.058 -1.171 17992 116 1 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.369 -0.716 17992 117 1 . 1 1 32 32 GLU H H 32 8.243 8.243 7.522 0.721 17992 118 1 . 1 1 33 33 ALA N N 33 121.715 121.715 121.628 0.087 17992 119 1 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.915 0.274 17992 120 1 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.280 0.444 17992 121 1 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.892 0.836 17992 122 1 . 1 1 33 33 ALA H H 33 8.218 8.218 7.516 0.702 17992 123 1 . 1 1 34 34 GLY N N 34 104.656 104.656 105.390 -0.734 17992 124 1 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.246 0.828 17992 125 1 . 1 1 34 34 GLY H H 34 8.308 8.308 7.791 0.517 17992 126 1 . 1 1 35 35 ARG N N 35 119.958 119.958 120.912 -0.954 17992 127 1 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.303 -0.027 17992 128 1 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.131 1.894 17992 129 1 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.616 0.673 17992 130 1 . 1 1 35 35 ARG H H 35 7.975 7.975 7.422 0.553 17992 131 1 . 1 1 36 36 LEU N N 36 118.931 118.931 121.246 -2.315 17992 132 1 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.124 0.100 17992 133 1 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.812 -0.009 17992 134 1 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.681 0.512 17992 135 1 . 1 1 36 36 LEU H H 36 7.958 7.958 8.452 -0.494 17992 136 1 . 1 1 37 37 ILE N N 37 118.087 118.087 118.897 -0.810 17992 137 1 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.699 0.232 17992 138 1 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.619 0.240 17992 139 1 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.552 0.487 17992 140 1 . 1 1 37 37 ILE H H 37 7.904 7.904 7.722 0.182 17992 141 1 . 1 1 38 38 GLU N N 38 120.989 120.989 119.934 1.055 17992 142 1 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.975 0.256 17992 143 1 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.555 -1.110 17992 144 1 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.419 -0.408 17992 145 1 . 1 1 38 38 GLU H H 38 8.041 8.041 7.506 0.535 17992 146 1 . 1 1 39 39 LEU N N 39 120.111 120.111 119.500 0.611 17992 147 1 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.069 0.202 17992 148 1 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.436 -0.025 17992 149 1 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.425 0.870 17992 150 1 . 1 1 39 39 LEU H H 39 8.173 8.173 7.751 0.422 17992 151 1 . 1 1 40 40 SER N N 40 113.806 113.806 112.687 1.119 17992 152 1 . 1 1 40 40 SER HA H 40 4.312 4.312 4.197 0.115 17992 153 1 . 1 1 40 40 SER CA C 40 60.406 60.406 60.621 -0.215 17992 154 1 . 1 1 40 40 SER CB C 40 63.646 63.646 63.281 0.364 17992 155 1 . 1 1 40 40 SER H H 40 8.031 8.031 7.611 0.420 17992 156 1 . 1 1 41 41 GLN N N 41 120.139 120.139 118.736 1.403 17992 157 1 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.224 0.172 17992 158 1 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.169 -0.568 17992 159 1 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.104 0.281 17992 160 1 . 1 1 41 41 GLN H H 41 7.956 7.956 7.750 0.206 17992 161 1 . 1 1 42 42 GLU N N 42 119.728 119.728 118.005 1.723 17992 162 1 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.379 -0.006 17992 163 1 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.682 0.407 17992 164 1 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.053 -1.698 17992 165 1 . 1 1 42 42 GLU H H 42 8.114 8.114 8.383 -0.269 17992 166 1 . 1 1 43 43 GLY N N 43 108.655 108.655 108.313 0.342 17992 167 1 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.436 0.187 17992 168 1 . 1 1 43 43 GLY H H 43 8.325 8.325 8.220 0.105 17992 169 1 . 1 1 44 44 GLY N N 44 107.872 107.872 108.404 -0.532 17992 170 1 . 1 1 44 44 GLY CA C 44 45.487 45.487 45.017 0.470 17992 171 1 . 1 1 44 44 GLY H H 44 8.105 8.105 7.886 0.219 17992 172 1 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.770 1.625 17992 173 1 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.497 -0.028 17992 174 1 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.339 1.091 17992 175 1 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.969 0.352 17992 176 1 . 1 1 50 50 LEU N N 50 116.864 116.864 118.004 -1.140 17992 177 1 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.333 -0.131 17992 178 1 . 1 1 50 50 LEU CA C 50 57.549 57.549 56.210 1.339 17992 179 1 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.615 1.084 17992 180 1 . 1 1 50 50 LEU H H 50 8.336 8.336 8.020 0.316 17992 181 1 . 1 1 51 51 TYR N N 51 118.433 118.433 121.146 -2.713 17992 182 1 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.153 0.012 17992 183 1 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.184 -0.150 17992 184 1 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.227 0.257 17992 185 1 . 1 1 51 51 TYR H H 51 7.765 7.765 7.808 -0.043 17992 186 1 . 1 1 52 52 PHE N N 52 117.945 117.945 119.552 -1.607 17992 187 1 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.674 0.586 17992 188 1 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.143 0.108 17992 189 1 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.920 0.400 17992 190 1 . 1 1 52 52 PHE H H 52 7.873 7.873 7.687 0.186 17992 191 1 . 1 1 53 53 VAL N N 53 117.468 117.468 118.326 -0.858 17992 192 1 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.332 0.320 17992 193 1 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.389 0.909 17992 194 1 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.571 0.239 17992 195 1 . 1 1 53 53 VAL H H 53 7.864 7.864 7.578 0.286 17992 196 1 . 1 1 54 54 VAL N N 54 116.929 116.929 120.678 -3.749 17992 197 1 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.662 0.040 17992 198 1 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.217 -0.150 17992 199 1 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.469 0.332 17992 200 1 . 1 1 54 54 VAL H H 54 7.958 7.958 7.976 -0.018 17992 201 1 . 1 1 55 55 ASN N N 55 115.543 115.543 117.099 -1.556 17992 202 1 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.598 0.032 17992 203 1 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.290 0.170 17992 204 1 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.895 1.034 17992 205 1 . 1 1 55 55 ASN H H 55 7.823 7.823 7.988 -0.165 17992 206 1 . 1 1 56 56 VAL N N 56 116.125 116.125 118.725 -2.600 17992 207 1 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.776 0.321 17992 208 1 . 1 1 56 56 VAL CA C 56 64.139 64.139 64.631 -0.492 17992 209 1 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.172 -0.169 17992 210 1 . 1 1 56 56 VAL H H 56 7.664 7.664 7.342 0.322 17992 211 1 . 1 1 57 57 ILE N N 57 116.872 116.872 118.727 -1.855 17992 212 1 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.783 0.226 17992 213 1 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.924 0.626 17992 214 1 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.925 0.838 17992 215 1 . 1 1 57 57 ILE H H 57 7.587 7.587 7.849 -0.262 17992 216 1 . 1 1 58 58 GLU N N 58 118.190 118.190 120.729 -2.539 17992 217 1 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.097 0.102 17992 218 1 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.923 -1.618 17992 219 1 . 1 1 58 58 GLU H H 58 8.114 8.114 7.750 0.364 17992 220 1 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.351 0.158 17992 221 1 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.152 0.410 17992 222 1 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.276 0.190 17992 223 1 . 1 1 60 60 CYS N N 60 115.035 115.035 117.802 -2.767 17992 224 1 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.125 0.143 17992 225 1 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.941 -0.828 17992 226 1 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.486 -0.496 17992 227 1 . 1 1 60 60 CYS H H 60 7.913 7.913 7.575 0.338 17992 228 1 . 1 1 61 61 LYS N N 61 121.184 121.184 120.491 0.693 17992 229 1 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.960 0.312 17992 230 1 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.019 -0.930 17992 231 1 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.069 0.359 17992 232 1 . 1 1 61 61 LYS H H 61 8.197 8.197 8.181 0.016 17992 233 1 . 1 1 62 62 LYS N N 62 118.253 118.253 117.512 0.741 17992 234 1 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.931 -1.087 17992 235 1 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.195 -0.105 17992 236 1 . 1 1 62 62 LYS H H 62 7.982 7.982 7.819 0.163 17992 237 1 . 1 1 63 63 PHE N N 63 118.763 118.763 117.703 1.060 17992 238 1 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.513 -0.258 17992 239 1 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.573 0.961 17992 240 1 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.547 -0.397 17992 241 1 . 1 1 63 63 PHE H H 63 8.155 8.155 7.605 0.550 17992 242 1 . 1 1 64 64 SER N N 64 114.881 114.881 116.564 -1.683 17992 243 1 . 1 1 64 64 SER HA H 64 4.268 4.268 3.968 0.300 17992 244 1 . 1 1 64 64 SER CA C 64 61.588 61.588 61.874 -0.286 17992 245 1 . 1 1 64 64 SER CB C 64 63.175 63.175 62.866 0.309 17992 246 1 . 1 1 64 64 SER H H 64 8.218 8.218 8.060 0.158 17992 247 1 . 1 1 65 65 GLU N N 65 120.937 120.937 120.392 0.545 17992 248 1 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.091 0.193 17992 249 1 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.805 -0.594 17992 250 1 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.452 -0.490 17992 251 1 . 1 1 65 65 GLU H H 65 8.067 8.067 7.783 0.284 17992 252 1 . 1 1 66 66 LEU N N 66 118.904 118.904 118.726 0.178 17992 253 1 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.065 0.198 17992 254 1 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.192 0.030 17992 255 1 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.385 0.940 17992 256 1 . 1 1 66 66 LEU H H 66 8.003 8.003 7.687 0.316 17992 257 1 . 1 1 67 67 THR N N 67 108.190 108.190 111.719 -3.529 17992 258 1 . 1 1 67 67 THR HA H 67 4.043 4.043 4.182 -0.139 17992 259 1 . 1 1 67 67 THR CA C 67 64.579 64.579 65.677 -1.098 17992 260 1 . 1 1 67 67 THR CB C 67 69.410 69.410 68.374 1.036 17992 261 1 . 1 1 67 67 THR H H 67 7.783 7.783 7.668 0.115 17992 262 1 . 1 1 68 68 GLY N N 68 108.141 108.141 107.936 0.205 17992 263 1 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.386 0.858 17992 264 1 . 1 1 68 68 GLY H H 68 7.964 7.964 7.574 0.390 17992 265 1 . 1 1 69 69 LEU N N 69 120.124 120.124 121.058 -0.934 17992 266 1 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.616 -0.264 17992 267 1 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.901 0.585 17992 268 1 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.586 -0.212 17992 269 1 . 1 1 69 69 LEU H H 69 7.749 7.749 7.564 0.185 17992 270 1 . 1 1 70 70 VAL N N 70 115.546 115.546 117.859 -2.313 17992 271 1 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.905 0.030 17992 272 1 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.949 -1.320 17992 273 1 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.326 -0.062 17992 274 1 . 1 1 70 70 VAL H H 70 7.607 7.607 7.574 0.033 17992 275 1 . 1 1 71 71 PHE N N 71 119.035 119.035 116.197 2.838 17992 276 1 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.460 0.098 17992 277 1 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.246 -0.699 17992 278 1 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.652 -0.352 17992 279 1 . 1 1 71 71 PHE H H 71 7.618 7.618 7.929 -0.311 17992 280 1 . 1 1 72 72 TYR N N 72 118.365 118.365 117.867 0.498 17992 281 1 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.604 -0.025 17992 282 1 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.217 -1.121 17992 283 1 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.716 -1.472 17992 284 1 . 1 1 72 72 TYR H H 72 7.740 7.740 7.853 -0.113 17992 285 1 . 1 1 73 73 LEU N N 73 121.184 121.184 121.572 -0.388 17992 286 1 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.756 -0.181 17992 287 1 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.869 1.680 17992 288 1 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.071 -0.989 17992 289 1 . 1 1 73 73 LEU H H 73 7.713 7.713 7.819 -0.106 17992 290 1 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.588 0.050 17992 291 1 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.672 0.532 17992 292 1 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.345 -0.664 17992 293 1 . 1 1 75 75 THR N N 75 113.231 113.231 116.025 -2.794 17992 294 1 . 1 1 75 75 THR HA H 75 4.339 4.339 4.377 -0.038 17992 295 1 . 1 1 75 75 THR CA C 75 62.684 62.684 63.145 -0.461 17992 296 1 . 1 1 75 75 THR H H 75 8.217 8.217 8.349 -0.132 17992 297 1 . 1 1 76 76 ASP N N 76 120.892 120.892 117.562 3.330 17992 298 1 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.621 0.169 17992 299 1 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.580 0.659 17992 300 1 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.086 -1.771 17992 301 1 . 1 1 76 76 ASP H H 76 8.406 8.406 7.491 0.915 17992 302 1 . 1 1 77 77 SER N N 77 115.861 115.861 114.282 1.579 17992 303 1 . 1 1 77 77 SER HA H 77 4.345 4.345 4.283 0.062 17992 304 1 . 1 1 77 77 SER CA C 77 60.528 60.528 59.679 0.849 17992 305 1 . 1 1 77 77 SER CB C 77 63.812 63.812 63.624 0.188 17992 306 1 . 1 1 77 77 SER H H 77 8.238 8.238 8.478 -0.240 17992 307 1 . 1 1 78 78 GLY N N 78 110.440 110.440 106.330 4.110 17992 308 1 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.048 1.605 17992 309 1 . 1 1 78 78 GLY H H 78 8.570 8.570 7.775 0.795 17992 310 1 . 1 1 79 79 GLU N N 79 121.242 121.242 121.764 -0.522 17992 311 1 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.126 0.194 17992 312 1 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.341 -1.323 17992 313 1 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.727 -0.645 17992 314 1 . 1 1 79 79 GLU H H 79 8.237 8.237 8.469 -0.232 17992 315 1 . 1 1 80 80 LYS N N 80 119.708 119.708 118.390 1.318 17992 316 1 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.177 0.142 17992 317 1 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.644 -0.763 17992 318 1 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.909 0.837 17992 319 1 . 1 1 80 80 LYS H H 80 8.252 8.252 8.539 -0.287 17992 320 1 . 1 1 81 81 MET N N 81 119.849 119.849 117.101 2.748 17992 321 1 . 1 1 81 81 MET HA H 81 4.367 4.367 4.359 0.008 17992 322 1 . 1 1 81 81 MET CA C 81 57.845 57.845 59.127 -1.282 17992 323 1 . 1 1 81 81 MET CB C 81 32.658 32.658 32.295 0.363 17992 324 1 . 1 1 81 81 MET H H 81 8.419 8.419 7.816 0.603 17992 325 1 . 1 1 82 82 THR N N 82 114.947 114.947 114.639 0.308 17992 326 1 . 1 1 82 82 THR HA H 82 4.132 4.132 4.000 0.132 17992 327 1 . 1 1 82 82 THR CA C 82 65.377 65.377 66.284 -0.907 17992 328 1 . 1 1 82 82 THR CB C 82 69.035 69.035 68.535 0.500 17992 329 1 . 1 1 82 82 THR H H 82 8.115 8.115 8.148 -0.033 17992 330 1 . 1 1 83 83 GLU N N 83 121.416 121.416 118.995 2.421 17992 331 1 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.261 0.112 17992 332 1 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.519 -0.455 17992 333 1 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.646 -0.704 17992 334 1 . 1 1 83 83 GLU H H 83 8.336 8.336 8.023 0.313 17992 335 1 . 1 1 84 84 SER N N 84 115.783 115.783 114.863 0.920 17992 336 1 . 1 1 84 84 SER HA H 84 4.278 4.278 4.418 -0.140 17992 337 1 . 1 1 84 84 SER CA C 84 61.685 61.685 60.716 0.969 17992 338 1 . 1 1 84 84 SER H H 84 8.191 8.191 7.987 0.204 17992 339 1 . 1 1 85 85 LYS N N 85 121.318 121.318 121.961 -0.643 17992 340 1 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.149 -0.064 17992 341 1 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.082 0.706 17992 342 1 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.392 0.038 17992 343 1 . 1 1 85 85 LYS H H 85 8.113 8.113 7.863 0.250 17992 344 1 . 1 1 86 86 SER N N 86 115.042 115.042 114.067 0.975 17992 345 1 . 1 1 86 86 SER HA H 86 4.389 4.389 4.347 0.042 17992 346 1 . 1 1 86 86 SER CA C 86 61.437 61.437 60.732 0.705 17992 347 1 . 1 1 86 86 SER CB C 86 63.116 63.116 62.874 0.242 17992 348 1 . 1 1 86 86 SER H H 86 8.066 8.066 7.751 0.315 17992 349 1 . 1 1 87 87 VAL N N 87 122.920 122.920 121.448 1.472 17992 350 1 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.887 0.493 17992 351 1 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.215 0.908 17992 352 1 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.583 -0.204 17992 353 1 . 1 1 87 87 VAL H H 87 8.103 8.103 7.599 0.504 17992 354 1 . 1 1 88 88 LEU N N 88 119.501 119.501 119.582 -0.081 17992 355 1 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.026 0.096 17992 356 1 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.666 0.240 17992 357 1 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.359 0.585 17992 358 1 . 1 1 88 88 LEU H H 88 8.146 8.146 7.548 0.598 17992 359 1 . 1 1 89 89 LYS N N 89 120.285 120.285 118.846 1.439 17992 360 1 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.101 -0.006 17992 361 1 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.008 0.879 17992 362 1 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.332 -0.106 17992 363 1 . 1 1 89 89 LYS H H 89 8.245 8.245 7.741 0.504 17992 364 1 . 1 1 90 90 SER N N 90 115.131 115.131 114.279 0.852 17992 365 1 . 1 1 90 90 SER HA H 90 4.362 4.362 4.359 0.003 17992 366 1 . 1 1 90 90 SER CA C 90 61.815 61.815 60.351 1.464 17992 367 1 . 1 1 90 90 SER H H 90 8.037 8.037 7.696 0.341 17992 368 1 . 1 1 91 91 LEU N N 91 120.855 120.855 122.038 -1.183 17992 369 1 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.261 -0.113 17992 370 1 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.526 0.887 17992 371 1 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.846 0.329 17992 372 1 . 1 1 91 91 LEU H H 91 8.445 8.445 7.601 0.844 17992 373 1 . 1 1 92 92 THR N N 92 112.933 112.933 115.325 -2.392 17992 374 1 . 1 1 92 92 THR HA H 92 3.904 3.904 3.894 0.010 17992 375 1 . 1 1 92 92 THR CA C 92 67.390 67.390 66.691 0.699 17992 376 1 . 1 1 92 92 THR CB C 92 69.367 69.367 68.334 1.032 17992 377 1 . 1 1 92 92 THR H H 92 8.383 8.383 7.664 0.719 17992 378 1 . 1 1 93 93 GLU N N 93 120.387 120.387 120.213 0.174 17992 379 1 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.507 -0.020 17992 380 1 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.453 -0.308 17992 381 1 . 1 1 93 93 GLU H H 93 7.971 7.971 8.287 -0.316 17992 382 1 . 1 1 94 94 LYS N N 94 118.470 118.470 117.639 0.831 17992 383 1 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.188 -0.022 17992 384 1 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.875 1.171 17992 385 1 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.536 -0.189 17992 386 1 . 1 1 94 94 LYS H H 94 7.804 7.804 7.866 -0.062 17992 387 1 . 1 1 95 95 LEU N N 95 118.397 118.397 119.268 -0.871 17992 388 1 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.251 -0.092 17992 389 1 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.618 1.259 17992 390 1 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.113 -0.164 17992 391 1 . 1 1 95 95 LEU H H 95 8.256 8.256 7.506 0.750 17992 392 1 . 1 1 96 96 LYS N N 96 117.747 117.747 118.990 -1.243 17992 393 1 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.040 -0.100 17992 394 1 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.419 0.863 17992 395 1 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.094 0.255 17992 396 1 . 1 1 96 96 LYS H H 96 8.105 8.105 8.445 -0.340 17992 397 1 . 1 1 97 97 LYS N N 97 116.451 116.451 119.594 -3.143 17992 398 1 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.192 -0.025 17992 399 1 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.419 1.124 17992 400 1 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.963 0.188 17992 401 1 . 1 1 97 97 LYS H H 97 7.520 7.520 7.658 -0.138 17992 402 1 . 1 1 98 98 ILE N N 98 117.587 117.587 122.097 -4.510 17992 403 1 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.786 0.144 17992 404 1 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.899 0.401 17992 405 1 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.049 -0.300 17992 406 1 . 1 1 98 98 ILE H H 98 7.782 7.782 7.680 0.102 17992 407 1 . 1 1 99 99 VAL N N 99 116.989 116.989 118.590 -1.601 17992 408 1 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.662 0.163 17992 409 1 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.223 0.740 17992 410 1 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.467 0.015 17992 411 1 . 1 1 99 99 VAL H H 99 7.917 7.917 7.454 0.463 17992 412 1 . 1 1 100 100 GLU N N 100 116.782 116.782 118.572 -1.790 17992 413 1 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.216 -0.003 17992 414 1 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.741 0.233 17992 415 1 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.406 -1.483 17992 416 1 . 1 1 100 100 GLU H H 100 7.702 7.702 8.029 -0.327 17992 417 1 . 1 1 101 101 LEU N N 101 118.218 118.218 120.307 -2.089 17992 418 1 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.337 -0.182 17992 419 1 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.488 -0.752 17992 420 1 . 1 1 101 101 LEU CB C 101 43.039 43.039 43.600 -0.561 17992 421 1 . 1 1 101 101 LEU H H 101 7.751 7.751 7.761 -0.010 17992 422 1 . 1 1 102 102 ILE N N 102 119.412 119.412 116.034 3.378 17992 423 1 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.435 -0.708 17992 424 1 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.378 3.431 17992 425 1 . 1 1 102 102 ILE H H 102 7.559 7.559 7.796 -0.237 17992 426 1 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.607 -0.020 17992 427 1 . 1 1 103 103 PRO CA C 103 64.289 64.289 62.859 1.430 17992 428 1 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.641 0.245 17992 429 1 . 1 1 104 104 SER N N 104 112.794 112.794 118.205 -5.411 17992 430 1 . 1 1 104 104 SER HA H 104 4.571 4.571 4.480 0.091 17992 431 1 . 1 1 104 104 SER CA C 104 59.286 59.286 58.755 0.531 17992 432 1 . 1 1 104 104 SER CB C 104 63.849 63.849 64.221 -0.372 17992 433 1 . 1 1 104 104 SER H H 104 8.100 8.100 8.359 -0.259 17992 434 1 . 1 1 105 105 THR N N 105 114.655 114.655 112.028 2.627 17992 435 1 . 1 1 105 105 THR HA H 105 4.318 4.318 4.394 -0.076 17992 436 1 . 1 1 105 105 THR CA C 105 64.056 64.056 61.811 2.245 17992 437 1 . 1 1 105 105 THR CB C 105 69.861 69.861 70.191 -0.330 17992 438 1 . 1 1 105 105 THR H H 105 8.186 8.186 8.116 0.070 17992 439 1 . 1 1 106 106 SER N N 106 116.165 116.165 116.658 -0.493 17992 440 1 . 1 1 106 106 SER HA H 106 4.344 4.344 4.555 -0.211 17992 441 1 . 1 1 106 106 SER CA C 106 60.864 60.864 59.239 1.625 17992 442 1 . 1 1 106 106 SER CB C 106 63.462 63.462 63.179 0.283 17992 443 1 . 1 1 106 106 SER H H 106 8.200 8.200 8.637 -0.437 17992 444 1 . 1 1 107 107 SER N N 107 116.732 116.732 116.916 -0.184 17992 445 1 . 1 1 107 107 SER HA H 107 4.413 4.413 4.454 -0.041 17992 446 1 . 1 1 107 107 SER CA C 107 60.051 60.051 60.448 -0.397 17992 447 1 . 1 1 107 107 SER CB C 107 63.921 63.921 63.603 0.318 17992 448 1 . 1 1 107 107 SER H H 107 8.114 8.114 7.880 0.234 17992 449 1 . 1 1 108 108 ALA N N 108 122.523 122.523 123.789 -1.266 17992 450 1 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.353 0.081 17992 451 1 . 1 1 108 108 ALA CA C 108 53.482 53.482 54.187 -0.706 17992 452 1 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.370 0.961 17992 453 1 . 1 1 108 108 ALA H H 108 8.022 8.022 7.780 0.242 17992 454 1 . 1 1 109 109 VAL N N 109 117.146 117.146 120.613 -3.467 17992 455 1 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.781 0.007 17992 456 1 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.113 -1.278 17992 457 1 . 1 1 109 109 VAL H H 109 7.829 7.829 7.976 -0.147 17992 458 1 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.324 0.156 17992 459 1 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.300 0.145 17992 460 1 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.291 0.088 17992 461 1 . 1 1 111 111 LEU N N 111 117.393 117.393 119.255 -1.862 17992 462 1 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.160 0.053 17992 463 1 . 1 1 111 111 LEU CA C 111 57.782 57.782 57.261 0.522 17992 464 1 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.071 0.377 17992 465 1 . 1 1 111 111 LEU H H 111 7.538 7.538 7.197 0.341 17992 466 1 . 1 1 112 112 ILE N N 112 117.001 117.001 119.486 -2.485 17992 467 1 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.937 0.064 17992 468 1 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.285 0.341 17992 469 1 . 1 1 112 112 ILE H H 112 8.118 8.118 8.615 -0.497 17992 470 1 . 1 1 113 113 GLY N N 113 106.840 106.840 107.128 -0.288 17992 471 1 . 1 1 113 113 GLY CA C 113 47.772 47.772 46.945 0.827 17992 472 1 . 1 1 113 113 GLY H H 113 8.409 8.409 7.958 0.451 17992 473 1 . 1 1 114 114 LYS N N 114 120.736 120.736 121.885 -1.149 17992 474 1 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.114 0.006 17992 475 1 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.713 0.425 17992 476 1 . 1 1 114 114 LYS H H 114 7.847 7.847 7.732 0.115 17992 477 1 . 1 1 115 115 TYR N N 115 117.055 117.055 118.595 -1.540 17992 478 1 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.325 -0.053 17992 479 1 . 1 1 115 115 TYR CA C 115 60.430 60.430 61.025 -0.595 17992 480 1 . 1 1 115 115 TYR H H 115 7.891 7.891 7.458 0.433 17992 481 1 . 1 1 116 116 MET H H 116 8.170 8.170 8.144 0.026 17992 482 1 . 1 1 117 117 LEU N N 117 117.768 117.768 119.476 -1.708 17992 483 1 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.057 -0.148 17992 484 1 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.276 1.318 17992 485 1 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.798 -0.462 17992 486 1 . 1 1 117 117 LEU H H 117 7.781 7.781 7.651 0.130 17992 487 1 . 1 1 118 118 PHE N N 118 118.204 118.204 119.462 -1.258 17992 488 1 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.135 0.293 17992 489 1 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.743 -1.008 17992 490 1 . 1 1 118 118 PHE H H 118 8.024 8.024 7.933 0.091 17992 491 1 . 1 1 119 119 THR N N 119 114.941 114.941 113.384 1.557 17992 492 1 . 1 1 119 119 THR HA H 119 3.972 3.972 4.155 -0.183 17992 493 1 . 1 1 119 119 THR CA C 119 67.518 67.518 66.158 1.360 17992 494 1 . 1 1 119 119 THR CB C 119 69.194 69.194 68.650 0.545 17992 495 1 . 1 1 119 119 THR H H 119 8.171 8.171 7.930 0.241 17992 496 1 . 1 1 120 120 LYS N N 120 121.758 121.758 121.415 0.343 17992 497 1 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.050 -0.070 17992 498 1 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.147 1.663 17992 499 1 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.278 0.237 17992 500 1 . 1 1 120 120 LYS H H 120 8.359 8.359 7.502 0.857 17992 501 1 . 1 1 121 121 GLU N N 121 117.504 117.504 118.751 -1.247 17992 502 1 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.105 0.109 17992 503 1 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.672 0.568 17992 504 1 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.641 -1.258 17992 505 1 . 1 1 121 121 GLU H H 121 8.222 8.222 8.110 0.112 17992 506 1 . 1 1 122 122 PHE N N 122 121.586 121.586 120.085 1.501 17992 507 1 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.215 0.079 17992 508 1 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.934 0.640 17992 509 1 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.213 0.146 17992 510 1 . 1 1 122 122 PHE H H 122 8.562 8.562 7.728 0.834 17992 511 1 . 1 1 123 123 VAL N N 123 121.558 121.558 118.929 2.629 17992 512 1 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.692 -0.176 17992 513 1 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.678 1.930 17992 514 1 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.193 0.268 17992 515 1 . 1 1 123 123 VAL H H 123 8.784 8.784 7.599 1.185 17992 516 1 . 1 1 124 124 GLU N N 124 118.314 118.314 120.166 -1.852 17992 517 1 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.033 0.009 17992 518 1 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.045 1.162 17992 519 1 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.037 -0.612 17992 520 1 . 1 1 124 124 GLU H H 124 8.564 8.564 8.019 0.545 17992 521 1 . 1 1 125 125 SER N N 125 114.779 114.779 115.482 -0.703 17992 522 1 . 1 1 125 125 SER HA H 125 4.265 4.265 4.134 0.131 17992 523 1 . 1 1 125 125 SER CA C 125 62.342 62.342 61.349 0.993 17992 524 1 . 1 1 125 125 SER CB C 125 63.162 63.162 62.692 0.470 17992 525 1 . 1 1 125 125 SER H H 125 8.348 8.348 8.156 0.192 17992 526 1 . 1 1 126 126 SER N N 126 118.464 118.464 117.881 0.583 17992 527 1 . 1 1 126 126 SER HA H 126 4.069 4.069 4.352 -0.283 17992 528 1 . 1 1 126 126 SER CA C 126 62.846 62.846 61.962 0.884 17992 529 1 . 1 1 126 126 SER H H 126 8.144 8.144 7.861 0.283 17992 530 1 . 1 1 127 127 ILE N N 127 124.705 124.705 118.930 5.775 17992 531 1 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.092 -0.411 17992 532 1 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.501 2.140 17992 533 1 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.755 0.279 17992 534 1 . 1 1 127 127 ILE H H 127 8.280 8.280 7.644 0.636 17992 535 1 . 1 1 128 128 LYS N N 128 119.907 119.907 120.781 -0.874 17992 536 1 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.120 0.765 17992 537 1 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.405 -0.157 17992 538 1 . 1 1 128 128 LYS H H 128 7.741 7.741 7.573 0.168 17992 539 1 . 1 1 129 129 ILE N N 129 118.807 118.807 118.202 0.605 17992 540 1 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.900 0.207 17992 541 1 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.727 -0.335 17992 542 1 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.411 -0.361 17992 543 1 . 1 1 129 129 ILE H H 129 8.215 8.215 8.101 0.114 17992 544 1 . 1 1 130 130 THR N N 130 117.328 117.328 113.470 3.858 17992 545 1 . 1 1 130 130 THR HA H 130 3.921 3.921 3.922 -0.001 17992 546 1 . 1 1 130 130 THR CA C 130 68.210 68.210 65.703 2.507 17992 547 1 . 1 1 130 130 THR H H 130 7.988 7.988 7.956 0.032 17992 548 1 . 1 1 131 131 GLU N N 131 118.968 118.968 121.644 -2.676 17992 549 1 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.050 -0.072 17992 550 1 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.895 0.704 17992 551 1 . 1 1 131 131 GLU H H 131 8.439 8.439 7.881 0.558 17992 552 1 . 1 1 132 132 GLU N N 132 118.712 118.712 118.457 0.255 17992 553 1 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.237 -0.011 17992 554 1 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.200 1.067 17992 555 1 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.020 -1.401 17992 556 1 . 1 1 132 132 GLU H H 132 7.987 7.987 7.734 0.253 17992 557 1 . 1 1 133 133 VAL N N 133 120.060 120.060 120.463 -0.403 17992 558 1 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.858 0.009 17992 559 1 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.902 1.428 17992 560 1 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.983 0.173 17992 561 1 . 1 1 133 133 VAL H H 133 8.341 8.341 7.738 0.603 17992 562 1 . 1 1 134 134 ILE N N 134 119.699 119.699 118.498 1.201 17992 563 1 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.903 -0.043 17992 564 1 . 1 1 134 134 ILE CA C 134 65.184 65.184 62.998 2.186 17992 565 1 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.447 0.455 17992 566 1 . 1 1 134 134 ILE H H 134 8.331 8.331 7.578 0.753 17992 567 1 . 1 1 135 135 ASN N N 135 117.396 117.396 117.393 0.003 17992 568 1 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.529 0.146 17992 569 1 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.989 -0.484 17992 570 1 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.635 0.492 17992 571 1 . 1 1 135 135 ASN H H 135 8.318 8.318 8.092 0.226 17992 572 1 . 1 1 136 136 THR N N 136 111.419 111.419 113.538 -2.119 17992 573 1 . 1 1 136 136 THR HA H 136 4.308 4.308 4.322 -0.014 17992 574 1 . 1 1 136 136 THR CA C 136 63.872 63.872 65.647 -1.775 17992 575 1 . 1 1 136 136 THR CB C 136 69.779 69.779 69.228 0.551 17992 576 1 . 1 1 136 136 THR H H 136 8.006 8.006 7.656 0.350 17992 577 1 . 1 1 137 137 HIS N N 137 118.612 118.612 120.454 -1.842 17992 578 1 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.404 0.299 17992 579 1 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.705 -2.246 17992 580 1 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.868 -1.156 17992 581 1 . 1 1 137 137 HIS H H 137 8.013 8.013 7.946 0.067 17992 582 1 . 1 1 138 138 HIS N N 138 118.709 118.709 117.137 1.572 17992 583 1 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.322 0.504 17992 584 1 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.806 -2.292 17992 585 1 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.683 -1.437 17992 586 1 . 1 1 138 138 HIS H H 138 8.169 8.169 8.012 0.157 17992 587 1 . 1 1 139 139 ARG N N 139 123.025 123.025 119.404 3.621 17992 588 1 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.061 0.505 17992 589 1 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.140 -1.746 17992 590 1 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.860 0.161 17992 591 1 . 1 1 139 139 ARG H H 139 8.419 8.419 7.935 0.484 17992 stop_ save_