data_18027 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18027 _Entry.PDB_ID 2LL6 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 18027 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP N N 2 120.442 120.442 121.703 -1.261 18027 2 1 1 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.787 -0.334 18027 3 1 1 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.151 -2.222 18027 4 1 1 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.769 -3.264 18027 5 1 1 . 1 1 2 2 ASP H H 2 8.521 8.521 8.349 0.172 18027 6 1 1 . 1 1 3 3 GLN N N 3 119.769 119.769 120.703 -0.934 18027 7 1 1 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.538 -0.320 18027 8 1 1 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.007 -2.321 18027 9 1 1 . 1 1 3 3 GLN H H 3 8.199 8.199 8.493 -0.294 18027 10 1 1 . 1 1 4 4 LEU N N 4 120.939 120.939 118.637 2.302 18027 11 1 1 . 1 1 4 4 LEU HA H 4 4.483 4.483 5.114 -0.631 18027 12 1 1 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.017 -2.433 18027 13 1 1 . 1 1 4 4 LEU CB C 4 40.561 40.561 42.755 -2.194 18027 14 1 1 . 1 1 4 4 LEU H H 4 7.510 7.510 8.243 -0.733 18027 15 1 1 . 1 1 5 5 THR N N 5 112.777 112.777 112.866 -0.089 18027 16 1 1 . 1 1 5 5 THR HA H 5 4.253 4.253 4.637 -0.384 18027 17 1 1 . 1 1 5 5 THR CA C 5 57.873 57.873 59.678 -1.805 18027 18 1 1 . 1 1 5 5 THR CB C 5 68.203 68.203 71.029 -2.826 18027 19 1 1 . 1 1 5 5 THR H H 5 8.576 8.576 8.076 0.500 18027 20 1 1 . 1 1 6 6 GLU N N 6 120.254 120.254 118.798 1.456 18027 21 1 1 . 1 1 6 6 GLU HA H 6 3.794 3.794 3.988 -0.194 18027 22 1 1 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.427 -1.782 18027 23 1 1 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.135 -2.849 18027 24 1 1 . 1 1 6 6 GLU H H 6 8.874 8.874 8.918 -0.044 18027 25 1 1 . 1 1 7 7 GLU N N 7 119.637 119.637 119.198 0.439 18027 26 1 1 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.160 -0.264 18027 27 1 1 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.747 -1.571 18027 28 1 1 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.369 -3.315 18027 29 1 1 . 1 1 7 7 GLU H H 7 8.536 8.536 7.988 0.548 18027 30 1 1 . 1 1 8 8 GLN N N 8 120.086 120.086 118.948 1.138 18027 31 1 1 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.333 -0.495 18027 32 1 1 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.242 -1.831 18027 33 1 1 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.026 -2.401 18027 34 1 1 . 1 1 8 8 GLN H H 8 7.499 7.499 7.694 -0.195 18027 35 1 1 . 1 1 9 9 ILE N N 9 120.295 120.295 119.375 0.920 18027 36 1 1 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.842 -0.175 18027 37 1 1 . 1 1 9 9 ILE CA C 9 64.046 64.046 65.143 -1.097 18027 38 1 1 . 1 1 9 9 ILE H H 9 8.405 8.405 8.415 -0.010 18027 39 1 1 . 1 1 10 10 ALA N N 10 121.503 121.503 121.304 0.199 18027 40 1 1 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.146 -0.235 18027 41 1 1 . 1 1 10 10 ALA CA C 10 52.657 52.657 54.991 -2.334 18027 42 1 1 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.159 -3.184 18027 43 1 1 . 1 1 10 10 ALA H H 10 7.949 7.949 7.552 0.397 18027 44 1 1 . 1 1 11 11 GLU N N 11 118.352 118.352 118.555 -0.203 18027 45 1 1 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.104 -0.266 18027 46 1 1 . 1 1 11 11 GLU CA C 11 56.673 56.673 59.019 -2.346 18027 47 1 1 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.479 -2.511 18027 48 1 1 . 1 1 11 11 GLU H H 11 7.700 7.700 7.938 -0.238 18027 49 1 1 . 1 1 12 12 PHE N N 12 117.277 117.277 119.663 -2.386 18027 50 1 1 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.404 0.073 18027 51 1 1 . 1 1 12 12 PHE CA C 12 59.655 59.655 60.763 -1.108 18027 52 1 1 . 1 1 12 12 PHE CB C 12 35.535 35.535 38.695 -3.160 18027 53 1 1 . 1 1 12 12 PHE H H 12 8.211 8.211 7.846 0.365 18027 54 1 1 . 1 1 13 13 LYS N N 13 122.928 122.928 119.391 3.537 18027 55 1 1 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.289 0.636 18027 56 1 1 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.139 -1.985 18027 57 1 1 . 1 1 13 13 LYS CB C 13 26.169 26.169 31.927 -5.758 18027 58 1 1 . 1 1 13 13 LYS H H 13 8.925 8.925 7.549 1.376 18027 59 1 1 . 1 1 14 14 GLU N N 14 119.706 119.706 117.767 1.939 18027 60 1 1 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.142 -0.284 18027 61 1 1 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.750 -2.414 18027 62 1 1 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.791 -3.508 18027 63 1 1 . 1 1 14 14 GLU H H 14 7.824 7.824 7.705 0.119 18027 64 1 1 . 1 1 15 15 ALA N N 15 123.880 123.880 122.154 1.726 18027 65 1 1 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.357 -0.490 18027 66 1 1 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.410 -1.575 18027 67 1 1 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.801 -3.598 18027 68 1 1 . 1 1 15 15 ALA H H 15 8.124 8.124 8.008 0.116 18027 69 1 1 . 1 1 16 16 PHE N N 16 118.972 118.972 119.020 -0.048 18027 70 1 1 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.153 -1.021 18027 71 1 1 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.588 -0.605 18027 72 1 1 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.296 -2.847 18027 73 1 1 . 1 1 16 16 PHE H H 16 8.446 8.446 8.122 0.324 18027 74 1 1 . 1 1 17 17 SER N N 17 114.737 114.737 114.229 0.508 18027 75 1 1 . 1 1 17 17 SER HA H 17 3.902 3.902 4.275 -0.373 18027 76 1 1 . 1 1 17 17 SER CA C 17 58.999 58.999 60.367 -1.368 18027 77 1 1 . 1 1 17 17 SER CB C 17 60.436 60.436 63.279 -2.843 18027 78 1 1 . 1 1 17 17 SER H H 17 7.874 7.874 7.670 0.204 18027 79 1 1 . 1 1 18 18 LEU N N 18 120.225 120.225 120.526 -0.301 18027 80 1 1 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.080 -0.295 18027 81 1 1 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.557 -2.828 18027 82 1 1 . 1 1 18 18 LEU CB C 18 38.162 38.162 41.683 -3.521 18027 83 1 1 . 1 1 18 18 LEU H H 18 7.183 7.183 7.410 -0.227 18027 84 1 1 . 1 1 19 19 PHE N N 19 112.357 112.357 114.064 -1.707 18027 85 1 1 . 1 1 19 19 PHE CA C 19 56.424 56.424 59.290 -2.866 18027 86 1 1 . 1 1 19 19 PHE H H 19 6.977 6.977 7.507 -0.530 18027 87 1 1 . 1 1 20 20 ASP N N 20 117.274 117.274 119.732 -2.458 18027 88 1 1 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.959 -0.527 18027 89 1 1 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.493 -2.981 18027 90 1 1 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.276 -3.599 18027 91 1 1 . 1 1 20 20 ASP H H 20 7.446 7.446 7.525 -0.079 18027 92 1 1 . 1 1 21 21 LYS N N 21 124.296 124.296 120.896 3.400 18027 93 1 1 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.191 -0.353 18027 94 1 1 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.704 -2.025 18027 95 1 1 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.359 -2.764 18027 96 1 1 . 1 1 21 21 LYS H H 21 7.520 7.520 7.915 -0.395 18027 97 1 1 . 1 1 22 22 ASP N N 22 113.761 113.761 117.890 -4.129 18027 98 1 1 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.668 -0.234 18027 99 1 1 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.747 -4.686 18027 100 1 1 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.270 -4.707 18027 101 1 1 . 1 1 22 22 ASP H H 22 7.819 7.819 7.925 -0.106 18027 102 1 1 . 1 1 23 23 GLY N N 23 108.838 108.838 108.213 0.625 18027 103 1 1 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.624 -1.319 18027 104 1 1 . 1 1 23 23 GLY H H 23 7.497 7.497 8.173 -0.676 18027 105 1 1 . 1 1 24 24 ASP N N 24 120.790 120.790 120.495 0.295 18027 106 1 1 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.686 -0.336 18027 107 1 1 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.441 -3.588 18027 108 1 1 . 1 1 24 24 ASP CB C 24 37.363 37.363 42.026 -4.662 18027 109 1 1 . 1 1 24 24 ASP H H 24 8.312 8.312 8.242 0.070 18027 110 1 1 . 1 1 25 25 GLY N N 25 112.499 112.499 111.004 1.495 18027 111 1 1 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.121 -2.701 18027 112 1 1 . 1 1 25 25 GLY H H 25 10.352 10.352 8.507 1.845 18027 113 1 1 . 1 1 26 26 THR N N 26 111.781 111.781 112.060 -0.279 18027 114 1 1 . 1 1 26 26 THR HA H 26 5.316 5.316 5.693 -0.377 18027 115 1 1 . 1 1 26 26 THR CA C 26 56.878 56.878 60.598 -3.720 18027 116 1 1 . 1 1 26 26 THR CB C 26 70.031 70.031 72.457 -2.425 18027 117 1 1 . 1 1 26 26 THR H H 26 8.018 8.018 8.360 -0.342 18027 118 1 1 . 1 1 27 27 ILE N N 27 126.162 126.162 124.783 1.379 18027 119 1 1 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.479 0.179 18027 120 1 1 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.102 -1.625 18027 121 1 1 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.347 -1.775 18027 122 1 1 . 1 1 27 27 ILE H H 27 9.769 9.769 8.467 1.302 18027 123 1 1 . 1 1 28 28 THR N N 28 116.311 116.311 122.779 -6.468 18027 124 1 1 . 1 1 28 28 THR HA H 28 4.669 4.669 4.993 -0.324 18027 125 1 1 . 1 1 28 28 THR CA C 28 56.878 56.878 61.842 -4.964 18027 126 1 1 . 1 1 28 28 THR CB C 28 69.688 69.688 69.781 -0.093 18027 127 1 1 . 1 1 28 28 THR H H 28 8.302 8.302 8.730 -0.428 18027 128 1 1 . 1 1 29 29 THR N N 29 112.465 112.465 115.873 -3.408 18027 129 1 1 . 1 1 29 29 THR HA H 29 3.633 3.633 3.961 -0.328 18027 130 1 1 . 1 1 29 29 THR CA C 29 63.820 63.820 66.402 -2.582 18027 131 1 1 . 1 1 29 29 THR CB C 29 65.160 65.160 68.358 -3.198 18027 132 1 1 . 1 1 29 29 THR H H 29 9.078 9.078 8.739 0.339 18027 133 1 1 . 1 1 30 30 LYS N N 30 120.792 120.792 119.588 1.204 18027 134 1 1 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.236 -0.281 18027 135 1 1 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.800 -2.231 18027 136 1 1 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.286 -1.691 18027 137 1 1 . 1 1 30 30 LYS H H 30 7.467 7.467 8.461 -0.994 18027 138 1 1 . 1 1 31 31 GLU N N 31 121.359 121.359 120.141 1.218 18027 139 1 1 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.179 -0.273 18027 140 1 1 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.515 -1.838 18027 141 1 1 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.401 -2.319 18027 142 1 1 . 1 1 31 31 GLU H H 31 7.574 7.574 7.596 -0.022 18027 143 1 1 . 1 1 32 32 LEU N N 32 120.087 120.087 120.950 -0.863 18027 144 1 1 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.334 -0.277 18027 145 1 1 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.590 -2.018 18027 146 1 1 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.192 -2.340 18027 147 1 1 . 1 1 32 32 LEU H H 32 8.712 8.712 7.888 0.824 18027 148 1 1 . 1 1 33 33 GLY N N 33 105.634 105.634 104.555 1.079 18027 149 1 1 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.200 -1.563 18027 150 1 1 . 1 1 33 33 GLY H H 33 8.696 8.696 7.856 0.840 18027 151 1 1 . 1 1 34 34 THR N N 34 117.265 117.265 118.031 -0.766 18027 152 1 1 . 1 1 34 34 THR HA H 34 3.810 3.810 4.021 -0.211 18027 153 1 1 . 1 1 34 34 THR CA C 34 64.259 64.259 66.417 -2.158 18027 154 1 1 . 1 1 34 34 THR CB C 34 66.033 66.033 68.567 -2.534 18027 155 1 1 . 1 1 34 34 THR H H 34 7.785 7.785 7.499 0.286 18027 156 1 1 . 1 1 35 35 VAL N N 35 121.498 121.498 120.936 0.562 18027 157 1 1 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.766 -0.365 18027 158 1 1 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.301 -0.993 18027 159 1 1 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.645 -2.849 18027 160 1 1 . 1 1 35 35 VAL H H 35 7.268 7.268 7.161 0.107 18027 161 1 1 . 1 1 36 36 MET N N 36 117.302 117.302 117.905 -0.603 18027 162 1 1 . 1 1 36 36 MET HA H 36 3.842 3.842 4.259 -0.417 18027 163 1 1 . 1 1 36 36 MET CA C 36 56.606 56.606 57.476 -0.870 18027 164 1 1 . 1 1 36 36 MET CB C 36 28.453 28.453 31.691 -3.238 18027 165 1 1 . 1 1 36 36 MET H H 36 8.487 8.487 7.452 1.035 18027 166 1 1 . 1 1 37 37 ARG N N 37 118.262 118.262 118.089 0.173 18027 167 1 1 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.447 0.210 18027 168 1 1 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.558 -2.078 18027 169 1 1 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.104 -3.364 18027 170 1 1 . 1 1 37 37 ARG H H 37 8.330 8.330 8.215 0.115 18027 171 1 1 . 1 1 38 38 SER N N 38 117.873 117.873 113.360 4.513 18027 172 1 1 . 1 1 38 38 SER H H 38 7.815 7.815 7.478 0.337 18027 173 1 1 . 1 1 39 39 LEU N N 39 117.970 117.970 119.209 -1.239 18027 174 1 1 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.344 -0.272 18027 175 1 1 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.195 -3.757 18027 176 1 1 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.545 -4.383 18027 177 1 1 . 1 1 39 39 LEU H H 39 7.326 7.326 7.252 0.074 18027 178 1 1 . 1 1 40 40 GLY N N 40 106.755 106.755 105.894 0.861 18027 179 1 1 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.658 -1.994 18027 180 1 1 . 1 1 40 40 GLY H H 40 7.636 7.636 7.704 -0.068 18027 181 1 1 . 1 1 41 41 GLN N N 41 118.316 118.316 119.097 -0.781 18027 182 1 1 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.594 -0.309 18027 183 1 1 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.011 -3.158 18027 184 1 1 . 1 1 41 41 GLN CB C 41 27.311 27.311 32.146 -4.835 18027 185 1 1 . 1 1 41 41 GLN H H 41 7.827 7.827 7.945 -0.118 18027 186 1 1 . 1 1 42 42 ASN N N 42 115.866 115.866 121.771 -5.905 18027 187 1 1 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.017 -0.004 18027 188 1 1 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.632 -3.070 18027 189 1 1 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.064 -2.746 18027 190 1 1 . 1 1 42 42 ASN H H 42 8.557 8.557 8.679 -0.122 18027 191 1 1 . 1 1 44 44 THR N N 44 113.035 113.035 113.097 -0.062 18027 192 1 1 . 1 1 44 44 THR HA H 44 4.296 4.296 4.708 -0.412 18027 193 1 1 . 1 1 44 44 THR CA C 44 57.922 57.922 58.993 -1.071 18027 194 1 1 . 1 1 44 44 THR CB C 44 68.317 68.317 72.198 -3.881 18027 195 1 1 . 1 1 44 44 THR H H 44 8.694 8.694 7.840 0.854 18027 196 1 1 . 1 1 45 45 GLU N N 45 120.283 120.283 121.503 -1.220 18027 197 1 1 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.040 -0.144 18027 198 1 1 . 1 1 45 45 GLU CA C 45 57.356 57.356 58.939 -1.583 18027 199 1 1 . 1 1 45 45 GLU CB C 45 25.716 25.716 28.715 -2.999 18027 200 1 1 . 1 1 45 45 GLU H H 45 8.687 8.687 8.907 -0.220 18027 201 1 1 . 1 1 46 46 ALA N N 46 120.685 120.685 121.775 -1.090 18027 202 1 1 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.180 -0.310 18027 203 1 1 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.617 -2.301 18027 204 1 1 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.442 -3.353 18027 205 1 1 . 1 1 46 46 ALA H H 46 8.153 8.153 8.249 -0.096 18027 206 1 1 . 1 1 47 47 GLU N N 47 118.546 118.546 119.399 -0.853 18027 207 1 1 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.120 -0.261 18027 208 1 1 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.538 -2.030 18027 209 1 1 . 1 1 47 47 GLU CB C 47 26.740 26.740 28.957 -2.217 18027 210 1 1 . 1 1 47 47 GLU H H 47 7.554 7.554 7.651 -0.097 18027 211 1 1 . 1 1 48 48 LEU N N 48 120.085 120.085 121.414 -1.329 18027 212 1 1 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.013 -0.073 18027 213 1 1 . 1 1 48 48 LEU CA C 48 55.368 55.368 59.188 -3.820 18027 214 1 1 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.942 -2.523 18027 215 1 1 . 1 1 48 48 LEU H H 48 8.247 8.247 8.079 0.168 18027 216 1 1 . 1 1 49 49 GLN N N 49 118.119 118.119 116.392 1.727 18027 217 1 1 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.005 -0.092 18027 218 1 1 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.802 -2.099 18027 219 1 1 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.556 -2.159 18027 220 1 1 . 1 1 49 49 GLN H H 49 7.891 7.891 7.803 0.088 18027 221 1 1 . 1 1 50 50 ASP N N 50 119.263 119.263 121.119 -1.856 18027 222 1 1 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.467 -0.288 18027 223 1 1 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.875 -1.999 18027 224 1 1 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.969 -3.721 18027 225 1 1 . 1 1 50 50 ASP H H 50 7.803 7.803 7.593 0.210 18027 226 1 1 . 1 1 51 51 MET N N 51 120.178 120.178 117.781 2.397 18027 227 1 1 . 1 1 51 51 MET HA H 51 3.966 3.966 4.218 -0.252 18027 228 1 1 . 1 1 51 51 MET CA C 51 57.074 57.074 58.989 -1.915 18027 229 1 1 . 1 1 51 51 MET CB C 51 29.975 29.975 33.095 -3.120 18027 230 1 1 . 1 1 51 51 MET H H 51 7.831 7.831 7.961 -0.130 18027 231 1 1 . 1 1 52 52 ILE N N 52 116.856 116.856 120.360 -3.504 18027 232 1 1 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.768 -0.420 18027 233 1 1 . 1 1 52 52 ILE CA C 52 61.675 61.675 63.742 -2.067 18027 234 1 1 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.600 -3.778 18027 235 1 1 . 1 1 52 52 ILE H H 52 7.703 7.703 7.657 0.046 18027 236 1 1 . 1 1 53 53 ASN N N 53 117.417 117.417 114.847 2.570 18027 237 1 1 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.500 -0.247 18027 238 1 1 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.692 -2.651 18027 239 1 1 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.279 -3.201 18027 240 1 1 . 1 1 53 53 ASN H H 53 8.187 8.187 7.961 0.226 18027 241 1 1 . 1 1 54 54 GLU N N 54 116.996 116.996 118.638 -1.642 18027 242 1 1 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.273 -0.414 18027 243 1 1 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.187 -2.313 18027 244 1 1 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.476 -4.079 18027 245 1 1 . 1 1 54 54 GLU H H 54 7.391 7.391 7.615 -0.224 18027 246 1 1 . 1 1 55 55 VAL N N 55 114.596 114.596 114.229 0.367 18027 247 1 1 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.182 -0.195 18027 248 1 1 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.641 -3.696 18027 249 1 1 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.717 -1.979 18027 250 1 1 . 1 1 55 55 VAL H H 55 7.151 7.151 7.599 -0.448 18027 251 1 1 . 1 1 56 56 ASP N N 56 119.670 119.670 122.529 -2.859 18027 252 1 1 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.516 -0.199 18027 253 1 1 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.646 -4.290 18027 254 1 1 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.133 -3.542 18027 255 1 1 . 1 1 56 56 ASP H H 56 7.913 7.913 8.304 -0.391 18027 256 1 1 . 1 1 57 57 ALA N N 57 131.491 131.491 128.601 2.890 18027 257 1 1 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.170 -0.069 18027 258 1 1 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.535 -2.352 18027 259 1 1 . 1 1 57 57 ALA H H 57 8.126 8.126 8.768 -0.642 18027 260 1 1 . 1 1 58 58 ASP N N 58 114.255 114.255 117.416 -3.161 18027 261 1 1 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.634 -0.200 18027 262 1 1 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.821 -4.861 18027 263 1 1 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.749 -5.186 18027 264 1 1 . 1 1 58 58 ASP H H 58 8.130 8.130 8.202 -0.072 18027 265 1 1 . 1 1 59 59 GLY N N 59 108.987 108.987 108.231 0.756 18027 266 1 1 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.316 -1.020 18027 267 1 1 . 1 1 59 59 GLY H H 59 7.504 7.504 8.634 -1.130 18027 268 1 1 . 1 1 60 60 ASN N N 60 118.770 118.770 119.898 -1.128 18027 269 1 1 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.876 -0.447 18027 270 1 1 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.385 -2.526 18027 271 1 1 . 1 1 60 60 ASN CB C 60 34.507 34.507 39.731 -5.224 18027 272 1 1 . 1 1 60 60 ASN H H 60 8.095 8.095 8.659 -0.564 18027 273 1 1 . 1 1 61 61 GLY N N 61 112.773 112.773 109.453 3.320 18027 274 1 1 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.414 -2.702 18027 275 1 1 . 1 1 61 61 GLY H H 61 10.280 10.280 8.894 1.386 18027 276 1 1 . 1 1 62 62 THR N N 62 108.117 108.117 110.995 -2.878 18027 277 1 1 . 1 1 62 62 THR HA H 62 4.672 4.672 4.997 -0.325 18027 278 1 1 . 1 1 62 62 THR CA C 62 56.878 56.878 60.067 -3.189 18027 279 1 1 . 1 1 62 62 THR CB C 62 69.688 69.688 71.685 -1.997 18027 280 1 1 . 1 1 62 62 THR H H 62 7.475 7.475 7.717 -0.242 18027 281 1 1 . 1 1 63 63 ILE N N 63 122.642 122.642 122.308 0.334 18027 282 1 1 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.396 0.400 18027 283 1 1 . 1 1 63 63 ILE CA C 63 57.812 57.812 59.996 -2.184 18027 284 1 1 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.174 -3.811 18027 285 1 1 . 1 1 63 63 ILE H H 63 8.449 8.449 8.258 0.191 18027 286 1 1 . 1 1 64 64 ASP N N 64 128.633 128.633 125.942 2.691 18027 287 1 1 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.377 -0.061 18027 288 1 1 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.171 -3.891 18027 289 1 1 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.753 -3.992 18027 290 1 1 . 1 1 64 64 ASP H H 64 9.011 9.011 8.503 0.508 18027 291 1 1 . 1 1 65 65 PHE N N 65 118.892 118.892 117.289 1.603 18027 292 1 1 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.500 -0.733 18027 293 1 1 . 1 1 65 65 PHE CA C 65 60.213 60.213 61.358 -1.145 18027 294 1 1 . 1 1 65 65 PHE H H 65 8.766 8.766 8.450 0.316 18027 295 1 1 . 1 1 67 67 GLU N N 67 118.675 118.675 116.581 2.094 18027 296 1 1 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.268 -0.431 18027 297 1 1 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.944 -1.339 18027 298 1 1 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.631 -2.234 18027 299 1 1 . 1 1 67 67 GLU H H 67 7.487 7.487 8.658 -1.171 18027 300 1 1 . 1 1 68 68 PHE N N 68 123.182 123.182 121.952 1.230 18027 301 1 1 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.296 -0.628 18027 302 1 1 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.638 -3.209 18027 303 1 1 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.627 -2.036 18027 304 1 1 . 1 1 68 68 PHE H H 68 8.066 8.066 7.699 0.367 18027 305 1 1 . 1 1 69 69 LEU N N 69 119.530 119.530 117.861 1.669 18027 306 1 1 . 1 1 69 69 LEU HA H 69 3.955 3.955 3.988 -0.033 18027 307 1 1 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.414 -2.640 18027 308 1 1 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.355 -1.936 18027 309 1 1 . 1 1 69 69 LEU H H 69 8.672 8.672 7.561 1.111 18027 310 1 1 . 1 1 70 70 THR N N 70 113.765 113.765 114.585 -0.820 18027 311 1 1 . 1 1 70 70 THR HA H 70 3.806 3.806 3.995 -0.189 18027 312 1 1 . 1 1 70 70 THR CA C 70 63.861 63.861 66.487 -2.626 18027 313 1 1 . 1 1 70 70 THR CB C 70 66.147 66.147 68.535 -2.388 18027 314 1 1 . 1 1 70 70 THR H H 70 7.909 7.909 7.687 0.222 18027 315 1 1 . 1 1 71 71 MET N N 71 119.518 119.518 120.415 -0.897 18027 316 1 1 . 1 1 71 71 MET HA H 71 3.881 3.881 4.170 -0.289 18027 317 1 1 . 1 1 71 71 MET CA C 71 56.106 56.106 58.863 -2.757 18027 318 1 1 . 1 1 71 71 MET CB C 71 29.595 29.595 32.687 -3.092 18027 319 1 1 . 1 1 71 71 MET H H 71 7.120 7.120 7.479 -0.359 18027 320 1 1 . 1 1 72 72 MET N N 72 116.280 116.280 116.575 -0.295 18027 321 1 1 . 1 1 72 72 MET HA H 72 3.817 3.817 4.180 -0.363 18027 322 1 1 . 1 1 72 72 MET CA C 72 55.111 55.111 58.561 -3.450 18027 323 1 1 . 1 1 72 72 MET CB C 72 27.892 27.892 32.019 -4.127 18027 324 1 1 . 1 1 72 72 MET H H 72 7.737 7.737 7.419 0.318 18027 325 1 1 . 1 1 73 73 ALA N N 73 119.984 119.984 120.764 -0.780 18027 326 1 1 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.077 -0.239 18027 327 1 1 . 1 1 73 73 ALA CA C 73 51.812 51.812 54.274 -2.462 18027 328 1 1 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.534 -3.331 18027 329 1 1 . 1 1 73 73 ALA H H 73 8.322 8.322 7.700 0.622 18027 330 1 1 . 1 1 74 74 ARG N N 74 116.354 116.354 118.801 -2.447 18027 331 1 1 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.091 -0.253 18027 332 1 1 . 1 1 74 74 ARG CA C 74 55.957 55.957 59.369 -3.412 18027 333 1 1 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.137 -4.882 18027 334 1 1 . 1 1 74 74 ARG H H 74 7.264 7.264 7.599 -0.335 18027 335 1 1 . 1 1 75 75 LYS N N 75 120.084 120.084 118.811 1.273 18027 336 1 1 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.450 -0.502 18027 337 1 1 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.335 -2.476 18027 338 1 1 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.038 -3.357 18027 339 1 1 . 1 1 75 75 LYS H H 75 7.756 7.756 7.490 0.266 18027 340 1 1 . 1 1 76 76 MET N N 76 117.139 117.139 118.271 -1.132 18027 341 1 1 . 1 1 76 76 MET HA H 76 4.168 4.168 4.367 -0.199 18027 342 1 1 . 1 1 76 76 MET CA C 76 54.704 54.704 56.811 -2.107 18027 343 1 1 . 1 1 76 76 MET CB C 76 30.052 30.052 32.481 -2.429 18027 344 1 1 . 1 1 76 76 MET H H 76 7.985 7.985 7.503 0.482 18027 345 1 1 . 1 1 77 77 LYS N N 77 116.614 116.614 117.090 -0.476 18027 346 1 1 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.336 -0.115 18027 347 1 1 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.225 -3.041 18027 348 1 1 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.684 -6.401 18027 349 1 1 . 1 1 77 77 LYS H H 77 7.275 7.275 7.368 -0.093 18027 350 1 1 . 1 1 78 78 ASP N N 78 123.187 123.187 119.786 3.401 18027 351 1 1 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.678 -0.227 18027 352 1 1 . 1 1 78 78 ASP CA C 78 51.732 51.732 55.011 -3.279 18027 353 1 1 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.713 -3.322 18027 354 1 1 . 1 1 78 78 ASP H H 78 8.181 8.181 7.654 0.527 18027 355 1 1 . 1 1 79 79 THR N N 79 114.325 114.325 110.309 4.016 18027 356 1 1 . 1 1 79 79 THR HA H 79 4.034 4.034 3.906 0.128 18027 357 1 1 . 1 1 79 79 THR CA C 79 61.322 61.322 64.246 -2.924 18027 358 1 1 . 1 1 79 79 THR CB C 79 66.147 66.147 67.210 -1.062 18027 359 1 1 . 1 1 79 79 THR H H 79 8.377 8.377 8.401 -0.024 18027 360 1 1 . 1 1 80 80 ASP N N 80 120.844 120.844 119.833 1.011 18027 361 1 1 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.848 -0.543 18027 362 1 1 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.644 -2.972 18027 363 1 1 . 1 1 80 80 ASP CB C 80 37.591 37.591 41.042 -3.451 18027 364 1 1 . 1 1 80 80 ASP H H 80 8.223 8.223 8.483 -0.260 18027 365 1 1 . 1 1 81 81 SER N N 81 115.729 115.729 114.385 1.344 18027 366 1 1 . 1 1 81 81 SER HA H 81 3.911 3.911 4.498 -0.587 18027 367 1 1 . 1 1 81 81 SER CA C 81 57.939 57.939 60.027 -2.088 18027 368 1 1 . 1 1 81 81 SER CB C 81 60.664 60.664 62.683 -2.019 18027 369 1 1 . 1 1 81 81 SER H H 81 7.785 7.785 8.177 -0.392 18027 370 1 1 . 1 1 82 82 GLU N N 82 121.960 121.960 122.682 -0.722 18027 371 1 1 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.062 -0.166 18027 372 1 1 . 1 1 82 82 GLU CA C 82 56.829 56.829 59.038 -2.209 18027 373 1 1 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.497 -2.872 18027 374 1 1 . 1 1 82 82 GLU H H 82 8.208 8.208 8.522 -0.314 18027 375 1 1 . 1 1 83 83 GLU N N 83 118.040 118.040 117.592 0.448 18027 376 1 1 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.147 -0.309 18027 377 1 1 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.587 -2.642 18027 378 1 1 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.299 -2.467 18027 379 1 1 . 1 1 83 83 GLU H H 83 7.898 7.898 7.709 0.189 18027 380 1 1 . 1 1 84 84 GLU N N 84 118.825 118.825 118.426 0.399 18027 381 1 1 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.091 -3.333 18027 382 1 1 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.837 1.015 18027 383 1 1 . 1 1 84 84 GLU H H 84 8.154 8.154 7.615 0.539 18027 384 1 1 . 1 1 85 85 ILE N N 85 119.310 119.310 120.676 -1.366 18027 385 1 1 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.936 -0.169 18027 386 1 1 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.535 -4.677 18027 387 1 1 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.761 -2.112 18027 388 1 1 . 1 1 85 85 ILE H H 85 7.793 7.793 7.562 0.231 18027 389 1 1 . 1 1 86 86 ARG N N 86 120.640 120.640 119.279 1.361 18027 390 1 1 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.973 -0.048 18027 391 1 1 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.343 -2.078 18027 392 1 1 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.842 -2.988 18027 393 1 1 . 1 1 86 86 ARG H H 86 8.177 8.177 7.879 0.298 18027 394 1 1 . 1 1 87 87 GLU N N 87 119.448 119.448 118.966 0.482 18027 395 1 1 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.222 -0.370 18027 396 1 1 . 1 1 87 87 GLU CA C 87 56.643 56.643 59.000 -2.357 18027 397 1 1 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.547 -3.493 18027 398 1 1 . 1 1 87 87 GLU H H 87 7.828 7.828 7.650 0.178 18027 399 1 1 . 1 1 88 88 ALA N N 88 122.592 122.592 122.245 0.347 18027 400 1 1 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.338 -0.310 18027 401 1 1 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.705 -2.109 18027 402 1 1 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.574 -3.942 18027 403 1 1 . 1 1 88 88 ALA H H 88 8.283 8.283 7.428 0.855 18027 404 1 1 . 1 1 89 89 PHE N N 89 119.245 119.245 119.253 -0.008 18027 405 1 1 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.065 -0.951 18027 406 1 1 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.671 -2.126 18027 407 1 1 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.585 -3.250 18027 408 1 1 . 1 1 89 89 PHE H H 89 8.423 8.423 7.962 0.461 18027 409 1 1 . 1 1 90 90 ARG N N 90 117.455 117.455 118.770 -1.315 18027 410 1 1 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.359 -0.510 18027 411 1 1 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.332 -2.019 18027 412 1 1 . 1 1 90 90 ARG CB C 90 27.197 27.197 28.940 -1.743 18027 413 1 1 . 1 1 90 90 ARG H H 90 7.840 7.840 7.740 0.100 18027 414 1 1 . 1 1 91 91 VAL N N 91 118.698 118.698 118.685 0.013 18027 415 1 1 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.747 -0.495 18027 416 1 1 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.892 -1.559 18027 417 1 1 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.711 -3.601 18027 418 1 1 . 1 1 91 91 VAL H H 91 7.262 7.262 7.279 -0.017 18027 419 1 1 . 1 1 92 92 PHE N N 92 112.495 112.495 117.624 -5.129 18027 420 1 1 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.311 -0.377 18027 421 1 1 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.405 -3.224 18027 422 1 1 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.800 -0.381 18027 423 1 1 . 1 1 92 92 PHE H H 92 6.693 6.693 7.475 -0.782 18027 424 1 1 . 1 1 93 93 ASP N N 93 117.214 117.214 118.387 -1.173 18027 425 1 1 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.641 -0.207 18027 426 1 1 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.402 -2.621 18027 427 1 1 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.205 -2.756 18027 428 1 1 . 1 1 93 93 ASP H H 93 7.954 7.954 7.966 -0.012 18027 429 1 1 . 1 1 94 94 LYS N N 94 125.565 125.565 124.246 1.319 18027 430 1 1 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.291 -0.512 18027 431 1 1 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.446 -2.767 18027 432 1 1 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.517 -2.922 18027 433 1 1 . 1 1 94 94 LYS H H 94 7.671 7.671 8.155 -0.484 18027 434 1 1 . 1 1 95 95 ASP N N 95 114.041 114.041 116.541 -2.500 18027 435 1 1 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.775 -0.367 18027 436 1 1 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.908 -3.695 18027 437 1 1 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.260 -4.697 18027 438 1 1 . 1 1 95 95 ASP H H 95 7.944 7.944 8.027 -0.083 18027 439 1 1 . 1 1 96 96 GLY N N 96 108.849 108.849 109.100 -0.251 18027 440 1 1 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.894 -1.695 18027 441 1 1 . 1 1 96 96 GLY H H 96 7.529 7.529 7.532 -0.003 18027 442 1 1 . 1 1 97 97 ASN N N 97 119.410 119.410 121.603 -2.193 18027 443 1 1 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.501 -0.077 18027 444 1 1 . 1 1 97 97 ASN CA C 97 49.683 49.683 52.891 -3.208 18027 445 1 1 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.836 -2.273 18027 446 1 1 . 1 1 97 97 ASN H H 97 8.234 8.234 8.566 -0.332 18027 447 1 1 . 1 1 98 98 GLY N N 98 112.073 112.073 106.160 5.913 18027 448 1 1 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.966 -3.790 18027 449 1 1 . 1 1 98 98 GLY H H 98 10.298 10.298 8.081 2.217 18027 450 1 1 . 1 1 99 99 TYR N N 99 116.011 116.011 114.531 1.480 18027 451 1 1 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.302 -0.484 18027 452 1 1 . 1 1 99 99 TYR CA C 99 53.681 53.681 54.814 -1.133 18027 453 1 1 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.602 -0.727 18027 454 1 1 . 1 1 99 99 TYR H H 99 7.497 7.497 7.101 0.396 18027 455 1 1 . 1 1 100 100 ILE N N 100 126.793 126.793 121.586 5.207 18027 456 1 1 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.131 0.292 18027 457 1 1 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.857 -2.228 18027 458 1 1 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.400 -2.652 18027 459 1 1 . 1 1 100 100 ILE H H 100 9.833 9.833 8.729 1.104 18027 460 1 1 . 1 1 101 101 SER N N 101 123.825 123.825 123.109 0.716 18027 461 1 1 . 1 1 101 101 SER HA H 101 4.657 4.657 4.604 0.053 18027 462 1 1 . 1 1 101 101 SER CA C 101 53.060 53.060 56.791 -3.731 18027 463 1 1 . 1 1 101 101 SER CB C 101 64.091 64.091 64.807 -0.716 18027 464 1 1 . 1 1 101 101 SER H H 101 8.870 8.870 8.615 0.255 18027 465 1 1 . 1 1 102 102 ALA N N 102 122.909 122.909 128.802 -5.893 18027 466 1 1 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.131 -0.367 18027 467 1 1 . 1 1 102 102 ALA CA C 102 53.050 53.050 54.902 -1.852 18027 468 1 1 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.699 -3.724 18027 469 1 1 . 1 1 102 102 ALA H H 102 9.209 9.209 9.051 0.158 18027 470 1 1 . 1 1 103 103 ALA N N 103 118.692 118.692 120.942 -2.250 18027 471 1 1 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.188 -0.314 18027 472 1 1 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.939 -2.454 18027 473 1 1 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.483 -3.280 18027 474 1 1 . 1 1 103 103 ALA H H 103 8.146 8.146 7.882 0.264 18027 475 1 1 . 1 1 104 104 GLU N N 104 120.098 120.098 118.809 1.289 18027 476 1 1 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.184 -0.321 18027 477 1 1 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.898 -2.323 18027 478 1 1 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.361 -3.992 18027 479 1 1 . 1 1 104 104 GLU H H 104 7.832 7.832 8.523 -0.691 18027 480 1 1 . 1 1 105 105 LEU N N 105 121.466 121.466 120.590 0.876 18027 481 1 1 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.088 0.028 18027 482 1 1 . 1 1 105 105 LEU CA C 105 55.696 55.696 58.083 -2.387 18027 483 1 1 . 1 1 105 105 LEU CB C 105 38.962 38.962 42.016 -3.054 18027 484 1 1 . 1 1 105 105 LEU H H 105 8.300 8.300 7.870 0.430 18027 485 1 1 . 1 1 106 106 ARG N N 106 118.978 118.978 118.180 0.798 18027 486 1 1 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.877 -0.025 18027 487 1 1 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.931 -2.497 18027 488 1 1 . 1 1 106 106 ARG CB C 106 27.084 27.084 30.132 -3.048 18027 489 1 1 . 1 1 106 106 ARG H H 106 8.882 8.882 7.691 1.191 18027 490 1 1 . 1 1 107 107 HIS N N 107 118.543 118.543 118.265 0.278 18027 491 1 1 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.319 -0.119 18027 492 1 1 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.425 -2.600 18027 493 1 1 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.697 -2.957 18027 494 1 1 . 1 1 107 107 HIS H H 107 7.991 7.991 7.740 0.251 18027 495 1 1 . 1 1 108 108 VAL N N 108 118.687 118.687 118.253 0.434 18027 496 1 1 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.789 -0.697 18027 497 1 1 . 1 1 108 108 VAL CA C 108 64.210 64.210 65.878 -1.668 18027 498 1 1 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.007 -2.097 18027 499 1 1 . 1 1 108 108 VAL H H 108 7.425 7.425 7.518 -0.093 18027 500 1 1 . 1 1 109 109 MET N N 109 115.725 115.725 117.557 -1.832 18027 501 1 1 . 1 1 109 109 MET HA H 109 3.944 3.944 4.267 -0.323 18027 502 1 1 . 1 1 109 109 MET CA C 109 55.212 55.212 59.002 -3.790 18027 503 1 1 . 1 1 109 109 MET CB C 109 27.425 27.425 33.030 -5.605 18027 504 1 1 . 1 1 109 109 MET H H 109 7.972 7.972 7.554 0.418 18027 505 1 1 . 1 1 110 110 THR N N 110 116.999 116.999 115.237 1.762 18027 506 1 1 . 1 1 110 110 THR HA H 110 3.852 3.852 4.555 -0.703 18027 507 1 1 . 1 1 110 110 THR CA C 110 63.918 63.918 64.554 -0.636 18027 508 1 1 . 1 1 110 110 THR CB C 110 65.844 65.844 68.637 -2.793 18027 509 1 1 . 1 1 110 110 THR H H 110 8.691 8.691 8.380 0.311 18027 510 1 1 . 1 1 111 111 ASN N N 111 123.893 123.893 120.662 3.231 18027 511 1 1 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.634 -0.393 18027 512 1 1 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.669 -2.720 18027 513 1 1 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.574 -3.610 18027 514 1 1 . 1 1 111 111 ASN H H 111 7.911 7.911 8.089 -0.178 18027 515 1 1 . 1 1 112 112 LEU N N 112 119.244 119.244 117.310 1.934 18027 516 1 1 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.185 -0.113 18027 517 1 1 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.105 -2.204 18027 518 1 1 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.175 -2.643 18027 519 1 1 . 1 1 112 112 LEU H H 112 7.618 7.618 7.306 0.312 18027 520 1 1 . 1 1 113 113 GLY N N 113 107.263 107.263 106.431 0.832 18027 521 1 1 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.761 -2.324 18027 522 1 1 . 1 1 113 113 GLY H H 113 7.743 7.743 7.373 0.370 18027 523 1 1 . 1 1 114 114 GLU N N 114 120.073 120.073 119.059 1.014 18027 524 1 1 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.620 -0.330 18027 525 1 1 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.831 -3.305 18027 526 1 1 . 1 1 114 114 GLU CB C 114 27.539 27.539 33.025 -5.486 18027 527 1 1 . 1 1 114 114 GLU H H 114 7.857 7.857 7.821 0.036 18027 528 1 1 . 1 1 115 115 LYS N N 115 124.142 124.142 123.144 0.998 18027 529 1 1 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.561 -0.341 18027 530 1 1 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.478 -2.584 18027 531 1 1 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.072 -3.591 18027 532 1 1 . 1 1 115 115 LYS H H 115 8.377 8.377 8.451 -0.074 18027 533 1 1 . 1 1 116 116 LEU N N 116 125.240 125.240 125.773 -0.533 18027 534 1 1 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.709 -0.237 18027 535 1 1 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.709 -2.272 18027 536 1 1 . 1 1 116 116 LEU CB C 116 40.675 40.675 45.090 -4.415 18027 537 1 1 . 1 1 116 116 LEU H H 116 8.002 8.002 8.528 -0.526 18027 538 1 1 . 1 1 117 117 THR N N 117 113.520 113.520 113.274 0.246 18027 539 1 1 . 1 1 117 117 THR CA C 117 57.922 57.922 60.783 -2.861 18027 540 1 1 . 1 1 117 117 THR CB C 117 68.352 68.352 70.032 -1.680 18027 541 1 1 . 1 1 117 117 THR H H 117 8.927 8.927 8.457 0.470 18027 542 1 1 . 1 1 118 118 ASP N N 118 120.859 120.859 120.705 0.154 18027 543 1 1 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.403 -0.360 18027 544 1 1 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.328 -2.163 18027 545 1 1 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.744 -3.970 18027 546 1 1 . 1 1 118 118 ASP H H 118 8.754 8.754 8.745 0.009 18027 547 1 1 . 1 1 119 119 GLU N N 119 119.112 119.112 118.629 0.483 18027 548 1 1 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.065 -0.138 18027 549 1 1 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.896 -1.706 18027 550 1 1 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.428 -3.146 18027 551 1 1 . 1 1 119 119 GLU H H 119 8.507 8.507 8.745 -0.238 18027 552 1 1 . 1 1 120 120 GLU N N 120 120.059 120.059 117.989 2.070 18027 553 1 1 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.157 -0.299 18027 554 1 1 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.362 -1.903 18027 555 1 1 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.913 -2.396 18027 556 1 1 . 1 1 120 120 GLU H H 120 7.809 7.809 7.604 0.205 18027 557 1 1 . 1 1 121 121 VAL N N 121 120.512 120.512 119.167 1.345 18027 558 1 1 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.730 -0.258 18027 559 1 1 . 1 1 121 121 VAL CA C 121 64.082 64.082 65.865 -1.783 18027 560 1 1 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.547 -2.980 18027 561 1 1 . 1 1 121 121 VAL H H 121 7.898 7.898 7.200 0.698 18027 562 1 1 . 1 1 122 122 ASP N N 122 119.857 119.857 119.101 0.756 18027 563 1 1 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.375 -0.207 18027 564 1 1 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.591 -2.685 18027 565 1 1 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.751 -3.274 18027 566 1 1 . 1 1 122 122 ASP H H 122 7.897 7.897 7.756 0.141 18027 567 1 1 . 1 1 123 123 GLU N N 123 119.630 119.630 119.213 0.417 18027 568 1 1 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.099 -0.261 18027 569 1 1 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.710 -1.633 18027 570 1 1 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.564 -3.395 18027 571 1 1 . 1 1 123 123 GLU H H 123 7.963 7.963 7.621 0.342 18027 572 1 1 . 1 1 124 124 MET N N 124 119.144 119.144 117.092 2.052 18027 573 1 1 . 1 1 124 124 MET HA H 124 3.859 3.859 4.266 -0.407 18027 574 1 1 . 1 1 124 124 MET CA C 124 56.508 56.508 57.357 -0.849 18027 575 1 1 . 1 1 124 124 MET CB C 124 29.253 29.253 32.719 -3.466 18027 576 1 1 . 1 1 124 124 MET H H 124 7.631 7.631 7.436 0.195 18027 577 1 1 . 1 1 125 125 ILE N N 125 117.557 117.557 120.451 -2.894 18027 578 1 1 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.951 -0.667 18027 579 1 1 . 1 1 125 125 ILE CA C 125 61.139 61.139 65.122 -3.983 18027 580 1 1 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.914 -3.864 18027 581 1 1 . 1 1 125 125 ILE H H 125 7.669 7.669 7.369 0.300 18027 582 1 1 . 1 1 126 126 ARG N N 126 118.414 118.414 118.829 -0.415 18027 583 1 1 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.132 -0.274 18027 584 1 1 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.575 -1.773 18027 585 1 1 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.860 -2.434 18027 586 1 1 . 1 1 126 126 ARG H H 126 7.952 7.952 7.556 0.396 18027 587 1 1 . 1 1 127 127 GLU N N 127 116.143 116.143 118.001 -1.858 18027 588 1 1 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.323 -0.465 18027 589 1 1 . 1 1 127 127 GLU CA C 127 56.215 56.215 57.915 -1.700 18027 590 1 1 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.137 -2.940 18027 591 1 1 . 1 1 127 127 GLU H H 127 7.294 7.294 7.754 -0.460 18027 592 1 1 . 1 1 128 128 ALA N N 128 116.994 116.994 119.108 -2.114 18027 593 1 1 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.692 -0.239 18027 594 1 1 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.524 -3.352 18027 595 1 1 . 1 1 128 128 ALA CB C 128 19.772 19.772 21.025 -1.253 18027 596 1 1 . 1 1 128 128 ALA H H 128 7.110 7.110 7.262 -0.152 18027 597 1 1 . 1 1 129 129 ASP N N 129 117.846 117.846 121.443 -3.597 18027 598 1 1 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.789 -0.347 18027 599 1 1 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.265 -2.632 18027 600 1 1 . 1 1 129 129 ASP CB C 129 38.505 38.505 41.078 -2.573 18027 601 1 1 . 1 1 129 129 ASP H H 129 7.508 7.508 8.413 -0.905 18027 602 1 1 . 1 1 130 130 ILE N N 130 128.118 128.118 121.201 6.917 18027 603 1 1 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.032 -0.282 18027 604 1 1 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.632 -3.049 18027 605 1 1 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.068 -2.305 18027 606 1 1 . 1 1 130 130 ILE H H 130 8.168 8.168 8.396 -0.228 18027 607 1 1 . 1 1 131 131 ASP N N 131 116.572 116.572 120.352 -3.780 18027 608 1 1 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.594 -0.298 18027 609 1 1 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.666 -2.544 18027 610 1 1 . 1 1 131 131 ASP CB C 131 37.477 37.477 41.202 -3.725 18027 611 1 1 . 1 1 131 131 ASP H H 131 8.136 8.136 8.295 -0.159 18027 612 1 1 . 1 1 132 132 GLY N N 132 108.411 108.411 109.439 -1.028 18027 613 1 1 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.753 -1.246 18027 614 1 1 . 1 1 132 132 GLY H H 132 7.460 7.460 8.254 -0.794 18027 615 1 1 . 1 1 133 133 ASP N N 133 120.424 120.424 120.323 0.101 18027 616 1 1 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.498 -0.202 18027 617 1 1 . 1 1 133 133 ASP CA C 133 50.853 50.853 54.384 -3.531 18027 618 1 1 . 1 1 133 133 ASP H H 133 8.177 8.177 8.183 -0.006 18027 619 1 1 . 1 1 134 134 GLY N N 134 112.396 112.396 107.453 4.943 18027 620 1 1 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.331 -2.278 18027 621 1 1 . 1 1 134 134 GLY H H 134 10.043 10.043 8.076 1.967 18027 622 1 1 . 1 1 135 135 GLN N N 135 115.588 115.588 117.617 -2.029 18027 623 1 1 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.153 -0.349 18027 624 1 1 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.653 -3.238 18027 625 1 1 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.443 -3.162 18027 626 1 1 . 1 1 135 135 GLN H H 135 7.866 7.866 7.462 0.404 18027 627 1 1 . 1 1 136 136 VAL N N 136 124.910 124.910 120.216 4.694 18027 628 1 1 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.260 0.739 18027 629 1 1 . 1 1 136 136 VAL CA C 136 58.707 58.707 61.105 -2.398 18027 630 1 1 . 1 1 136 136 VAL CB C 136 31.080 31.080 32.705 -1.625 18027 631 1 1 . 1 1 136 136 VAL H H 136 8.856 8.856 8.435 0.421 18027 632 1 1 . 1 1 137 137 ASN N N 137 129.009 129.009 124.397 4.612 18027 633 1 1 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.251 -0.078 18027 634 1 1 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.958 -3.875 18027 635 1 1 . 1 1 137 137 ASN CB C 137 35.634 35.634 41.506 -5.872 18027 636 1 1 . 1 1 137 137 ASN H H 137 9.390 9.390 8.857 0.533 18027 637 1 1 . 1 1 138 138 TYR N N 138 118.471 118.471 120.544 -2.073 18027 638 1 1 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.495 -0.017 18027 639 1 1 . 1 1 138 138 TYR CA C 138 59.799 59.799 60.147 -0.348 18027 640 1 1 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.253 -1.718 18027 641 1 1 . 1 1 138 138 TYR H H 138 8.075 8.075 8.935 -0.860 18027 642 1 1 . 1 1 139 139 GLU N N 139 118.535 118.535 119.664 -1.129 18027 643 1 1 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.113 -0.275 18027 644 1 1 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.198 -1.666 18027 645 1 1 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.969 -3.029 18027 646 1 1 . 1 1 139 139 GLU H H 139 7.925 7.925 7.597 0.328 18027 647 1 1 . 1 1 140 140 GLU N N 140 119.583 119.583 119.332 0.251 18027 648 1 1 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.216 -0.367 18027 649 1 1 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.361 -2.279 18027 650 1 1 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.230 -2.719 18027 651 1 1 . 1 1 140 140 GLU H H 140 8.664 8.664 8.508 0.156 18027 652 1 1 . 1 1 141 141 PHE N N 141 123.810 123.810 121.309 2.501 18027 653 1 1 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.211 -0.490 18027 654 1 1 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.558 -2.466 18027 655 1 1 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.365 -1.660 18027 656 1 1 . 1 1 141 141 PHE H H 141 8.395 8.395 8.052 0.343 18027 657 1 1 . 1 1 142 142 VAL N N 142 118.551 118.551 117.771 0.780 18027 658 1 1 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.594 -0.502 18027 659 1 1 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.048 -1.866 18027 660 1 1 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.824 -3.028 18027 661 1 1 . 1 1 142 142 VAL H H 142 8.484 8.484 8.036 0.448 18027 662 1 1 . 1 1 143 143 GLN N N 143 119.672 119.672 118.747 0.925 18027 663 1 1 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.068 -0.230 18027 664 1 1 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.235 -1.962 18027 665 1 1 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.657 -3.745 18027 666 1 1 . 1 1 143 143 GLN H H 143 7.803 7.803 7.615 0.188 18027 667 1 1 . 1 1 144 144 MET N N 144 116.710 116.710 119.244 -2.534 18027 668 1 1 . 1 1 144 144 MET HA H 144 3.943 3.943 4.132 -0.189 18027 669 1 1 . 1 1 144 144 MET CA C 144 55.387 55.387 57.541 -2.154 18027 670 1 1 . 1 1 144 144 MET CB C 144 29.709 29.709 32.250 -2.541 18027 671 1 1 . 1 1 144 144 MET H H 144 7.322 7.322 7.809 -0.487 18027 672 1 1 . 1 1 145 145 MET N N 145 114.879 114.879 114.825 0.054 18027 673 1 1 . 1 1 145 145 MET HA H 145 4.062 4.062 4.312 -0.250 18027 674 1 1 . 1 1 145 145 MET CA C 145 53.291 53.291 57.635 -4.343 18027 675 1 1 . 1 1 145 145 MET CB C 145 29.253 29.253 32.925 -3.672 18027 676 1 1 . 1 1 145 145 MET H H 145 7.467 7.467 7.523 -0.056 18027 677 1 1 . 1 1 146 146 THR N N 146 108.698 108.698 112.984 -4.286 18027 678 1 1 . 1 1 146 146 THR HA H 146 4.136 4.136 4.348 -0.212 18027 679 1 1 . 1 1 146 146 THR CA C 146 59.201 59.201 61.260 -2.059 18027 680 1 1 . 1 1 146 146 THR CB C 146 67.404 67.404 69.263 -1.859 18027 681 1 1 . 1 1 146 146 THR H H 146 7.551 7.551 7.563 -0.012 18027 682 1 1 . 1 1 147 147 ALA N N 147 126.669 126.669 124.449 2.220 18027 683 1 1 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.466 -0.321 18027 684 1 1 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.883 -1.810 18027 685 1 1 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.937 -3.592 18027 686 1 1 . 1 1 147 147 ALA H H 147 7.596 7.596 7.034 0.562 18027 687 1 2 . 1 1 2 2 ASP N N 2 120.442 120.442 119.821 0.621 18027 688 1 2 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.704 -0.251 18027 689 1 2 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.434 -2.505 18027 690 1 2 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.636 -3.131 18027 691 1 2 . 1 1 2 2 ASP H H 2 8.521 8.521 8.531 -0.010 18027 692 1 2 . 1 1 3 3 GLN N N 3 119.769 119.769 119.648 0.121 18027 693 1 2 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.452 -0.234 18027 694 1 2 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.195 -2.509 18027 695 1 2 . 1 1 3 3 GLN H H 3 8.199 8.199 7.823 0.376 18027 696 1 2 . 1 1 4 4 LEU N N 4 120.939 120.939 123.583 -2.644 18027 697 1 2 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.502 -0.019 18027 698 1 2 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.652 -3.068 18027 699 1 2 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.135 -2.574 18027 700 1 2 . 1 1 4 4 LEU H H 4 7.510 7.510 8.550 -1.040 18027 701 1 2 . 1 1 5 5 THR N N 5 112.777 112.777 112.415 0.362 18027 702 1 2 . 1 1 5 5 THR HA H 5 4.253 4.253 4.420 -0.167 18027 703 1 2 . 1 1 5 5 THR CA C 5 57.873 57.873 61.622 -3.749 18027 704 1 2 . 1 1 5 5 THR CB C 5 68.203 68.203 70.291 -2.088 18027 705 1 2 . 1 1 5 5 THR H H 5 8.576 8.576 8.302 0.274 18027 706 1 2 . 1 1 6 6 GLU N N 6 120.254 120.254 119.872 0.382 18027 707 1 2 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.061 -0.267 18027 708 1 2 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.629 -1.984 18027 709 1 2 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.043 -2.757 18027 710 1 2 . 1 1 6 6 GLU H H 6 8.874 8.874 8.897 -0.023 18027 711 1 2 . 1 1 7 7 GLU N N 7 119.637 119.637 119.558 0.079 18027 712 1 2 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.183 -0.287 18027 713 1 2 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.048 -1.873 18027 714 1 2 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.352 -3.298 18027 715 1 2 . 1 1 7 7 GLU H H 7 8.536 8.536 8.395 0.141 18027 716 1 2 . 1 1 8 8 GLN N N 8 120.086 120.086 119.274 0.812 18027 717 1 2 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.266 -0.428 18027 718 1 2 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.239 -1.828 18027 719 1 2 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.140 -2.514 18027 720 1 2 . 1 1 8 8 GLN H H 8 7.499 7.499 7.808 -0.309 18027 721 1 2 . 1 1 9 9 ILE N N 9 120.295 120.295 119.728 0.567 18027 722 1 2 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.782 -0.115 18027 723 1 2 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.212 -0.166 18027 724 1 2 . 1 1 9 9 ILE H H 9 8.405 8.405 8.756 -0.351 18027 725 1 2 . 1 1 10 10 ALA N N 10 121.503 121.503 121.160 0.343 18027 726 1 2 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.142 -0.231 18027 727 1 2 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.147 -2.490 18027 728 1 2 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.195 -3.220 18027 729 1 2 . 1 1 10 10 ALA H H 10 7.949 7.949 7.603 0.346 18027 730 1 2 . 1 1 11 11 GLU N N 11 118.352 118.352 118.834 -0.482 18027 731 1 2 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.134 -0.296 18027 732 1 2 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.544 -1.871 18027 733 1 2 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.574 -2.606 18027 734 1 2 . 1 1 11 11 GLU H H 11 7.700 7.700 7.963 -0.263 18027 735 1 2 . 1 1 12 12 PHE N N 12 117.277 117.277 120.792 -3.515 18027 736 1 2 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.394 0.083 18027 737 1 2 . 1 1 12 12 PHE CA C 12 59.655 59.655 62.119 -2.464 18027 738 1 2 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.449 -3.914 18027 739 1 2 . 1 1 12 12 PHE H H 12 8.211 8.211 7.766 0.445 18027 740 1 2 . 1 1 13 13 LYS N N 13 122.928 122.928 119.211 3.717 18027 741 1 2 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.984 -0.059 18027 742 1 2 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.890 -2.736 18027 743 1 2 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.202 -6.033 18027 744 1 2 . 1 1 13 13 LYS H H 13 8.925 8.925 7.832 1.093 18027 745 1 2 . 1 1 14 14 GLU N N 14 119.706 119.706 118.010 1.696 18027 746 1 2 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.210 -0.352 18027 747 1 2 . 1 1 14 14 GLU CA C 14 56.336 56.336 59.045 -2.709 18027 748 1 2 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.634 -3.351 18027 749 1 2 . 1 1 14 14 GLU H H 14 7.824 7.824 7.861 -0.037 18027 750 1 2 . 1 1 15 15 ALA N N 15 123.880 123.880 122.559 1.321 18027 751 1 2 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.286 -0.419 18027 752 1 2 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.413 -1.579 18027 753 1 2 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.424 -3.221 18027 754 1 2 . 1 1 15 15 ALA H H 15 8.124 8.124 8.118 0.006 18027 755 1 2 . 1 1 16 16 PHE N N 16 118.972 118.972 118.600 0.372 18027 756 1 2 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.255 -1.123 18027 757 1 2 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.962 -0.979 18027 758 1 2 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.448 -2.999 18027 759 1 2 . 1 1 16 16 PHE H H 16 8.446 8.446 8.274 0.172 18027 760 1 2 . 1 1 17 17 SER N N 17 114.737 114.737 114.513 0.224 18027 761 1 2 . 1 1 17 17 SER HA H 17 3.902 3.902 4.441 -0.539 18027 762 1 2 . 1 1 17 17 SER CA C 17 58.999 58.999 61.183 -2.184 18027 763 1 2 . 1 1 17 17 SER CB C 17 60.436 60.436 63.047 -2.611 18027 764 1 2 . 1 1 17 17 SER H H 17 7.874 7.874 7.720 0.154 18027 765 1 2 . 1 1 18 18 LEU N N 18 120.225 120.225 120.106 0.119 18027 766 1 2 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.030 -0.245 18027 767 1 2 . 1 1 18 18 LEU CA C 18 54.729 54.729 56.964 -2.235 18027 768 1 2 . 1 1 18 18 LEU CB C 18 38.162 38.162 41.430 -3.268 18027 769 1 2 . 1 1 18 18 LEU H H 18 7.183 7.183 7.418 -0.234 18027 770 1 2 . 1 1 19 19 PHE N N 19 112.357 112.357 113.512 -1.155 18027 771 1 2 . 1 1 19 19 PHE CA C 19 56.424 56.424 59.330 -2.906 18027 772 1 2 . 1 1 19 19 PHE H H 19 6.977 6.977 7.604 -0.627 18027 773 1 2 . 1 1 20 20 ASP N N 20 117.274 117.274 119.268 -1.994 18027 774 1 2 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.900 -0.468 18027 775 1 2 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.594 -3.082 18027 776 1 2 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.651 -3.974 18027 777 1 2 . 1 1 20 20 ASP H H 20 7.446 7.446 7.621 -0.175 18027 778 1 2 . 1 1 21 21 LYS N N 21 124.296 124.296 121.842 2.454 18027 779 1 2 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.214 -0.376 18027 780 1 2 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.444 -1.765 18027 781 1 2 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.127 -2.532 18027 782 1 2 . 1 1 21 21 LYS H H 21 7.520 7.520 7.871 -0.351 18027 783 1 2 . 1 1 22 22 ASP N N 22 113.761 113.761 117.417 -3.656 18027 784 1 2 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.712 -0.278 18027 785 1 2 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.956 -4.895 18027 786 1 2 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.437 -4.874 18027 787 1 2 . 1 1 22 22 ASP H H 22 7.819 7.819 7.956 -0.137 18027 788 1 2 . 1 1 23 23 GLY N N 23 108.838 108.838 107.129 1.709 18027 789 1 2 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.748 -1.443 18027 790 1 2 . 1 1 23 23 GLY H H 23 7.497 7.497 8.103 -0.606 18027 791 1 2 . 1 1 24 24 ASP N N 24 120.790 120.790 120.525 0.265 18027 792 1 2 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.724 -0.374 18027 793 1 2 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.037 -3.184 18027 794 1 2 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.783 -4.420 18027 795 1 2 . 1 1 24 24 ASP H H 24 8.312 8.312 8.297 0.015 18027 796 1 2 . 1 1 25 25 GLY N N 25 112.499 112.499 109.362 3.137 18027 797 1 2 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.356 -2.936 18027 798 1 2 . 1 1 25 25 GLY H H 25 10.352 10.352 8.988 1.364 18027 799 1 2 . 1 1 26 26 THR N N 26 111.781 111.781 110.099 1.682 18027 800 1 2 . 1 1 26 26 THR HA H 26 5.316 5.316 5.784 -0.468 18027 801 1 2 . 1 1 26 26 THR CA C 26 56.878 56.878 59.686 -2.808 18027 802 1 2 . 1 1 26 26 THR CB C 26 70.031 70.031 72.689 -2.658 18027 803 1 2 . 1 1 26 26 THR H H 26 8.018 8.018 8.251 -0.233 18027 804 1 2 . 1 1 27 27 ILE N N 27 126.162 126.162 124.253 1.909 18027 805 1 2 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.561 0.097 18027 806 1 2 . 1 1 27 27 ILE CA C 27 58.477 58.477 59.998 -1.520 18027 807 1 2 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.656 -2.084 18027 808 1 2 . 1 1 27 27 ILE H H 27 9.769 9.769 8.477 1.292 18027 809 1 2 . 1 1 28 28 THR N N 28 116.311 116.311 118.470 -2.159 18027 810 1 2 . 1 1 28 28 THR HA H 28 4.669 4.669 5.003 -0.334 18027 811 1 2 . 1 1 28 28 THR CA C 28 56.878 56.878 60.866 -3.988 18027 812 1 2 . 1 1 28 28 THR CB C 28 69.688 69.688 69.881 -0.193 18027 813 1 2 . 1 1 28 28 THR H H 28 8.302 8.302 8.537 -0.235 18027 814 1 2 . 1 1 29 29 THR N N 29 112.465 112.465 113.927 -1.462 18027 815 1 2 . 1 1 29 29 THR HA H 29 3.633 3.633 4.010 -0.377 18027 816 1 2 . 1 1 29 29 THR CA C 29 63.820 63.820 66.233 -2.413 18027 817 1 2 . 1 1 29 29 THR CB C 29 65.160 65.160 68.556 -3.396 18027 818 1 2 . 1 1 29 29 THR H H 29 9.078 9.078 8.603 0.475 18027 819 1 2 . 1 1 30 30 LYS N N 30 120.792 120.792 120.520 0.272 18027 820 1 2 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.159 -0.204 18027 821 1 2 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.050 -2.481 18027 822 1 2 . 1 1 30 30 LYS CB C 30 29.595 29.595 32.101 -2.506 18027 823 1 2 . 1 1 30 30 LYS H H 30 7.467 7.467 8.384 -0.917 18027 824 1 2 . 1 1 31 31 GLU N N 31 121.359 121.359 119.479 1.880 18027 825 1 2 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.155 -0.249 18027 826 1 2 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.250 -1.573 18027 827 1 2 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.646 -2.564 18027 828 1 2 . 1 1 31 31 GLU H H 31 7.574 7.574 7.566 0.008 18027 829 1 2 . 1 1 32 32 LEU N N 32 120.087 120.087 121.023 -0.936 18027 830 1 2 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.297 -0.240 18027 831 1 2 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.697 -2.125 18027 832 1 2 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.171 -2.319 18027 833 1 2 . 1 1 32 32 LEU H H 32 8.712 8.712 7.800 0.912 18027 834 1 2 . 1 1 33 33 GLY N N 33 105.634 105.634 104.315 1.319 18027 835 1 2 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.192 -1.555 18027 836 1 2 . 1 1 33 33 GLY H H 33 8.696 8.696 7.794 0.902 18027 837 1 2 . 1 1 34 34 THR N N 34 117.265 117.265 117.902 -0.637 18027 838 1 2 . 1 1 34 34 THR HA H 34 3.810 3.810 4.073 -0.263 18027 839 1 2 . 1 1 34 34 THR CA C 34 64.259 64.259 66.378 -2.119 18027 840 1 2 . 1 1 34 34 THR CB C 34 66.033 66.033 68.509 -2.476 18027 841 1 2 . 1 1 34 34 THR H H 34 7.785 7.785 7.455 0.330 18027 842 1 2 . 1 1 35 35 VAL N N 35 121.498 121.498 120.865 0.633 18027 843 1 2 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.846 -0.445 18027 844 1 2 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.189 -0.881 18027 845 1 2 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.081 -2.285 18027 846 1 2 . 1 1 35 35 VAL H H 35 7.268 7.268 7.275 -0.007 18027 847 1 2 . 1 1 36 36 MET N N 36 117.302 117.302 118.366 -1.064 18027 848 1 2 . 1 1 36 36 MET HA H 36 3.842 3.842 4.140 -0.298 18027 849 1 2 . 1 1 36 36 MET CA C 36 56.606 56.606 59.555 -2.949 18027 850 1 2 . 1 1 36 36 MET CB C 36 28.453 28.453 32.393 -3.940 18027 851 1 2 . 1 1 36 36 MET H H 36 8.487 8.487 7.477 1.010 18027 852 1 2 . 1 1 37 37 ARG N N 37 118.262 118.262 118.027 0.235 18027 853 1 2 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.384 0.273 18027 854 1 2 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.851 -2.371 18027 855 1 2 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.219 -3.479 18027 856 1 2 . 1 1 37 37 ARG H H 37 8.330 8.330 8.346 -0.016 18027 857 1 2 . 1 1 38 38 SER N N 38 117.873 117.873 113.569 4.304 18027 858 1 2 . 1 1 38 38 SER H H 38 7.815 7.815 7.561 0.254 18027 859 1 2 . 1 1 39 39 LEU N N 39 117.970 117.970 119.588 -1.618 18027 860 1 2 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.425 -0.353 18027 861 1 2 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.092 -3.654 18027 862 1 2 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.730 -4.568 18027 863 1 2 . 1 1 39 39 LEU H H 39 7.326 7.326 7.185 0.141 18027 864 1 2 . 1 1 40 40 GLY N N 40 106.755 106.755 106.077 0.678 18027 865 1 2 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.875 -2.211 18027 866 1 2 . 1 1 40 40 GLY H H 40 7.636 7.636 7.687 -0.051 18027 867 1 2 . 1 1 41 41 GLN N N 41 118.316 118.316 119.291 -0.975 18027 868 1 2 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.580 -0.295 18027 869 1 2 . 1 1 41 41 GLN CA C 41 50.853 50.853 53.948 -3.095 18027 870 1 2 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.889 -4.578 18027 871 1 2 . 1 1 41 41 GLN H H 41 7.827 7.827 8.391 -0.564 18027 872 1 2 . 1 1 42 42 ASN N N 42 115.866 115.866 121.359 -5.493 18027 873 1 2 . 1 1 42 42 ASN HA H 42 5.013 5.013 4.991 0.022 18027 874 1 2 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.685 -3.123 18027 875 1 2 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.126 -2.808 18027 876 1 2 . 1 1 42 42 ASN H H 42 8.557 8.557 8.542 0.015 18027 877 1 2 . 1 1 44 44 THR N N 44 113.035 113.035 116.713 -3.678 18027 878 1 2 . 1 1 44 44 THR HA H 44 4.296 4.296 4.557 -0.261 18027 879 1 2 . 1 1 44 44 THR CA C 44 57.922 57.922 59.782 -1.860 18027 880 1 2 . 1 1 44 44 THR CB C 44 68.317 68.317 71.784 -3.467 18027 881 1 2 . 1 1 44 44 THR H H 44 8.694 8.694 8.053 0.641 18027 882 1 2 . 1 1 45 45 GLU N N 45 120.283 120.283 122.192 -1.909 18027 883 1 2 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.096 -0.200 18027 884 1 2 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.764 -2.408 18027 885 1 2 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.463 -3.747 18027 886 1 2 . 1 1 45 45 GLU H H 45 8.687 8.687 8.888 -0.201 18027 887 1 2 . 1 1 46 46 ALA N N 46 120.685 120.685 121.523 -0.838 18027 888 1 2 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.202 -0.332 18027 889 1 2 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.823 -2.507 18027 890 1 2 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.243 -3.154 18027 891 1 2 . 1 1 46 46 ALA H H 46 8.153 8.153 8.258 -0.105 18027 892 1 2 . 1 1 47 47 GLU N N 47 118.546 118.546 118.488 0.058 18027 893 1 2 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.191 -0.332 18027 894 1 2 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.853 -2.345 18027 895 1 2 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.172 -2.432 18027 896 1 2 . 1 1 47 47 GLU H H 47 7.554 7.554 8.553 -0.999 18027 897 1 2 . 1 1 48 48 LEU N N 48 120.085 120.085 120.389 -0.304 18027 898 1 2 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.070 -0.130 18027 899 1 2 . 1 1 48 48 LEU CA C 48 55.368 55.368 58.033 -2.665 18027 900 1 2 . 1 1 48 48 LEU CB C 48 39.419 39.419 42.037 -2.618 18027 901 1 2 . 1 1 48 48 LEU H H 48 8.247 8.247 8.097 0.150 18027 902 1 2 . 1 1 49 49 GLN N N 49 118.119 118.119 116.742 1.377 18027 903 1 2 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.013 -0.100 18027 904 1 2 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.807 -2.104 18027 905 1 2 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.372 -1.976 18027 906 1 2 . 1 1 49 49 GLN H H 49 7.891 7.891 7.718 0.173 18027 907 1 2 . 1 1 50 50 ASP N N 50 119.263 119.263 120.880 -1.617 18027 908 1 2 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.462 -0.283 18027 909 1 2 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.895 -2.019 18027 910 1 2 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.979 -3.731 18027 911 1 2 . 1 1 50 50 ASP H H 50 7.803 7.803 7.632 0.171 18027 912 1 2 . 1 1 51 51 MET N N 51 120.178 120.178 117.340 2.838 18027 913 1 2 . 1 1 51 51 MET HA H 51 3.966 3.966 4.228 -0.262 18027 914 1 2 . 1 1 51 51 MET CA C 51 57.074 57.074 58.618 -1.544 18027 915 1 2 . 1 1 51 51 MET CB C 51 29.975 29.975 33.298 -3.324 18027 916 1 2 . 1 1 51 51 MET H H 51 7.831 7.831 7.426 0.405 18027 917 1 2 . 1 1 52 52 ILE N N 52 116.856 116.856 120.078 -3.222 18027 918 1 2 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.704 -0.356 18027 919 1 2 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.122 -2.447 18027 920 1 2 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.470 -3.648 18027 921 1 2 . 1 1 52 52 ILE H H 52 7.703 7.703 7.602 0.101 18027 922 1 2 . 1 1 53 53 ASN N N 53 117.417 117.417 114.572 2.845 18027 923 1 2 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.470 -0.217 18027 924 1 2 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.608 -2.567 18027 925 1 2 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.301 -3.223 18027 926 1 2 . 1 1 53 53 ASN H H 53 8.187 8.187 7.910 0.277 18027 927 1 2 . 1 1 54 54 GLU N N 54 116.996 116.996 118.646 -1.650 18027 928 1 2 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.228 -0.369 18027 929 1 2 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.304 -2.430 18027 930 1 2 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.326 -3.929 18027 931 1 2 . 1 1 54 54 GLU H H 54 7.391 7.391 7.554 -0.163 18027 932 1 2 . 1 1 55 55 VAL N N 55 114.596 114.596 116.448 -1.852 18027 933 1 2 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.194 -0.207 18027 934 1 2 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.787 -3.842 18027 935 1 2 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.983 -2.245 18027 936 1 2 . 1 1 55 55 VAL H H 55 7.151 7.151 7.593 -0.442 18027 937 1 2 . 1 1 56 56 ASP N N 56 119.670 119.670 122.618 -2.948 18027 938 1 2 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.436 -0.119 18027 939 1 2 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.501 -4.145 18027 940 1 2 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.283 -3.692 18027 941 1 2 . 1 1 56 56 ASP H H 56 7.913 7.913 8.306 -0.393 18027 942 1 2 . 1 1 57 57 ALA N N 57 131.491 131.491 129.339 2.152 18027 943 1 2 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.198 -0.097 18027 944 1 2 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.871 -2.688 18027 945 1 2 . 1 1 57 57 ALA H H 57 8.126 8.126 8.816 -0.690 18027 946 1 2 . 1 1 58 58 ASP N N 58 114.255 114.255 117.874 -3.619 18027 947 1 2 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.647 -0.213 18027 948 1 2 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.707 -4.747 18027 949 1 2 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.416 -4.853 18027 950 1 2 . 1 1 58 58 ASP H H 58 8.130 8.130 8.243 -0.113 18027 951 1 2 . 1 1 59 59 GLY N N 59 108.987 108.987 106.979 2.008 18027 952 1 2 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.259 -0.963 18027 953 1 2 . 1 1 59 59 GLY H H 59 7.504 7.504 8.438 -0.934 18027 954 1 2 . 1 1 60 60 ASN N N 60 118.770 118.770 119.734 -0.964 18027 955 1 2 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.888 -0.459 18027 956 1 2 . 1 1 60 60 ASN CA C 60 49.859 49.859 51.701 -1.842 18027 957 1 2 . 1 1 60 60 ASN CB C 60 34.507 34.507 39.760 -5.253 18027 958 1 2 . 1 1 60 60 ASN H H 60 8.095 8.095 8.611 -0.516 18027 959 1 2 . 1 1 61 61 GLY N N 61 112.773 112.773 108.859 3.914 18027 960 1 2 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.462 -2.750 18027 961 1 2 . 1 1 61 61 GLY H H 61 10.280 10.280 8.813 1.467 18027 962 1 2 . 1 1 62 62 THR N N 62 108.117 108.117 111.083 -2.966 18027 963 1 2 . 1 1 62 62 THR HA H 62 4.672 4.672 5.065 -0.393 18027 964 1 2 . 1 1 62 62 THR CA C 62 56.878 56.878 60.010 -3.132 18027 965 1 2 . 1 1 62 62 THR CB C 62 69.688 69.688 71.744 -2.056 18027 966 1 2 . 1 1 62 62 THR H H 62 7.475 7.475 7.760 -0.285 18027 967 1 2 . 1 1 63 63 ILE N N 63 122.642 122.642 122.915 -0.273 18027 968 1 2 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.402 0.394 18027 969 1 2 . 1 1 63 63 ILE CA C 63 57.812 57.812 59.965 -2.154 18027 970 1 2 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.657 -4.295 18027 971 1 2 . 1 1 63 63 ILE H H 63 8.449 8.449 8.249 0.200 18027 972 1 2 . 1 1 64 64 ASP N N 64 128.633 128.633 125.641 2.992 18027 973 1 2 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.320 -0.004 18027 974 1 2 . 1 1 64 64 ASP CA C 64 49.280 49.280 52.996 -3.716 18027 975 1 2 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.826 -4.065 18027 976 1 2 . 1 1 64 64 ASP H H 64 9.011 9.011 8.449 0.562 18027 977 1 2 . 1 1 65 65 PHE N N 65 118.892 118.892 116.871 2.021 18027 978 1 2 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.353 -0.586 18027 979 1 2 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.878 -0.665 18027 980 1 2 . 1 1 65 65 PHE H H 65 8.766 8.766 8.210 0.556 18027 981 1 2 . 1 1 67 67 GLU N N 67 118.675 118.675 116.011 2.664 18027 982 1 2 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.274 -0.437 18027 983 1 2 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.352 -0.747 18027 984 1 2 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.783 -2.386 18027 985 1 2 . 1 1 67 67 GLU H H 67 7.487 7.487 8.714 -1.227 18027 986 1 2 . 1 1 68 68 PHE N N 68 123.182 123.182 120.774 2.408 18027 987 1 2 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.377 -0.709 18027 988 1 2 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.275 -2.846 18027 989 1 2 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.576 -1.985 18027 990 1 2 . 1 1 68 68 PHE H H 68 8.066 8.066 7.439 0.627 18027 991 1 2 . 1 1 69 69 LEU N N 69 119.530 119.530 117.797 1.733 18027 992 1 2 . 1 1 69 69 LEU HA H 69 3.955 3.955 3.985 -0.030 18027 993 1 2 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.917 -2.143 18027 994 1 2 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.207 -1.788 18027 995 1 2 . 1 1 69 69 LEU H H 69 8.672 8.672 7.801 0.871 18027 996 1 2 . 1 1 70 70 THR N N 70 113.765 113.765 114.772 -1.007 18027 997 1 2 . 1 1 70 70 THR HA H 70 3.806 3.806 3.979 -0.173 18027 998 1 2 . 1 1 70 70 THR CA C 70 63.861 63.861 66.664 -2.803 18027 999 1 2 . 1 1 70 70 THR CB C 70 66.147 66.147 68.451 -2.304 18027 1000 1 2 . 1 1 70 70 THR H H 70 7.909 7.909 7.790 0.119 18027 1001 1 2 . 1 1 71 71 MET N N 71 119.518 119.518 119.398 0.120 18027 1002 1 2 . 1 1 71 71 MET HA H 71 3.881 3.881 4.238 -0.357 18027 1003 1 2 . 1 1 71 71 MET CA C 71 56.106 56.106 58.330 -2.224 18027 1004 1 2 . 1 1 71 71 MET CB C 71 29.595 29.595 32.674 -3.079 18027 1005 1 2 . 1 1 71 71 MET H H 71 7.120 7.120 7.465 -0.345 18027 1006 1 2 . 1 1 72 72 MET N N 72 116.280 116.280 118.841 -2.561 18027 1007 1 2 . 1 1 72 72 MET HA H 72 3.817 3.817 4.264 -0.447 18027 1008 1 2 . 1 1 72 72 MET CA C 72 55.111 55.111 57.467 -2.356 18027 1009 1 2 . 1 1 72 72 MET CB C 72 27.892 27.892 32.508 -4.616 18027 1010 1 2 . 1 1 72 72 MET H H 72 7.737 7.737 7.650 0.087 18027 1011 1 2 . 1 1 73 73 ALA N N 73 119.984 119.984 118.628 1.356 18027 1012 1 2 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.144 -0.306 18027 1013 1 2 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.779 -1.967 18027 1014 1 2 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.361 -3.159 18027 1015 1 2 . 1 1 73 73 ALA H H 73 8.322 8.322 7.537 0.785 18027 1016 1 2 . 1 1 74 74 ARG N N 74 116.354 116.354 118.727 -2.373 18027 1017 1 2 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.172 -0.334 18027 1018 1 2 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.755 -2.798 18027 1019 1 2 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.430 -5.175 18027 1020 1 2 . 1 1 74 74 ARG H H 74 7.264 7.264 7.740 -0.476 18027 1021 1 2 . 1 1 75 75 LYS N N 75 120.084 120.084 118.742 1.342 18027 1022 1 2 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.206 -0.258 18027 1023 1 2 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.724 -2.865 18027 1024 1 2 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.067 -3.386 18027 1025 1 2 . 1 1 75 75 LYS H H 75 7.756 7.756 7.814 -0.058 18027 1026 1 2 . 1 1 76 76 MET N N 76 117.139 117.139 118.458 -1.319 18027 1027 1 2 . 1 1 76 76 MET HA H 76 4.168 4.168 4.374 -0.206 18027 1028 1 2 . 1 1 76 76 MET CA C 76 54.704 54.704 56.895 -2.191 18027 1029 1 2 . 1 1 76 76 MET CB C 76 30.052 30.052 32.687 -2.635 18027 1030 1 2 . 1 1 76 76 MET H H 76 7.985 7.985 7.783 0.202 18027 1031 1 2 . 1 1 77 77 LYS N N 77 116.614 116.614 115.998 0.616 18027 1032 1 2 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.465 -0.244 18027 1033 1 2 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.344 -3.160 18027 1034 1 2 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.244 -5.961 18027 1035 1 2 . 1 1 77 77 LYS H H 77 7.275 7.275 7.440 -0.165 18027 1036 1 2 . 1 1 78 78 ASP N N 78 123.187 123.187 120.408 2.779 18027 1037 1 2 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.755 -0.304 18027 1038 1 2 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.528 -2.796 18027 1039 1 2 . 1 1 78 78 ASP CB C 78 38.391 38.391 42.045 -3.655 18027 1040 1 2 . 1 1 78 78 ASP H H 78 8.181 8.181 7.790 0.391 18027 1041 1 2 . 1 1 79 79 THR N N 79 114.325 114.325 111.237 3.088 18027 1042 1 2 . 1 1 79 79 THR HA H 79 4.034 4.034 3.906 0.128 18027 1043 1 2 . 1 1 79 79 THR CA C 79 61.322 61.322 64.418 -3.096 18027 1044 1 2 . 1 1 79 79 THR CB C 79 66.147 66.147 67.011 -0.864 18027 1045 1 2 . 1 1 79 79 THR H H 79 8.377 8.377 8.317 0.060 18027 1046 1 2 . 1 1 80 80 ASP N N 80 120.844 120.844 119.982 0.862 18027 1047 1 2 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.743 -0.438 18027 1048 1 2 . 1 1 80 80 ASP CA C 80 51.672 51.672 53.809 -2.137 18027 1049 1 2 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.927 -3.336 18027 1050 1 2 . 1 1 80 80 ASP H H 80 8.223 8.223 8.549 -0.326 18027 1051 1 2 . 1 1 81 81 SER N N 81 115.729 115.729 115.126 0.603 18027 1052 1 2 . 1 1 81 81 SER HA H 81 3.911 3.911 4.639 -0.728 18027 1053 1 2 . 1 1 81 81 SER CA C 81 57.939 57.939 60.096 -2.156 18027 1054 1 2 . 1 1 81 81 SER CB C 81 60.664 60.664 63.260 -2.596 18027 1055 1 2 . 1 1 81 81 SER H H 81 7.785 7.785 8.330 -0.545 18027 1056 1 2 . 1 1 82 82 GLU N N 82 121.960 121.960 122.709 -0.749 18027 1057 1 2 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.149 -0.253 18027 1058 1 2 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.682 -1.853 18027 1059 1 2 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.380 -2.755 18027 1060 1 2 . 1 1 82 82 GLU H H 82 8.208 8.208 8.515 -0.307 18027 1061 1 2 . 1 1 83 83 GLU N N 83 118.040 118.040 117.351 0.689 18027 1062 1 2 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.181 -0.343 18027 1063 1 2 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.679 -2.735 18027 1064 1 2 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.235 -2.403 18027 1065 1 2 . 1 1 83 83 GLU H H 83 7.898 7.898 7.818 0.080 18027 1066 1 2 . 1 1 84 84 GLU N N 84 118.825 118.825 119.899 -1.074 18027 1067 1 2 . 1 1 84 84 GLU CA C 84 54.758 54.758 59.063 -4.305 18027 1068 1 2 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.862 0.990 18027 1069 1 2 . 1 1 84 84 GLU H H 84 8.154 8.154 7.695 0.459 18027 1070 1 2 . 1 1 85 85 ILE N N 85 119.310 119.310 119.535 -0.225 18027 1071 1 2 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.844 -0.077 18027 1072 1 2 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.412 -4.554 18027 1073 1 2 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.703 -2.054 18027 1074 1 2 . 1 1 85 85 ILE H H 85 7.793 7.793 7.461 0.332 18027 1075 1 2 . 1 1 86 86 ARG N N 86 120.640 120.640 119.919 0.721 18027 1076 1 2 . 1 1 86 86 ARG HA H 86 3.925 3.925 4.098 -0.173 18027 1077 1 2 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.824 -2.559 18027 1078 1 2 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.458 -2.604 18027 1079 1 2 . 1 1 86 86 ARG H H 86 8.177 8.177 7.894 0.283 18027 1080 1 2 . 1 1 87 87 GLU N N 87 119.448 119.448 119.315 0.133 18027 1081 1 2 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.230 -0.378 18027 1082 1 2 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.699 -2.056 18027 1083 1 2 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.366 -3.312 18027 1084 1 2 . 1 1 87 87 GLU H H 87 7.828 7.828 7.756 0.072 18027 1085 1 2 . 1 1 88 88 ALA N N 88 122.592 122.592 122.501 0.091 18027 1086 1 2 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.380 -0.352 18027 1087 1 2 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.709 -2.113 18027 1088 1 2 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.701 -4.069 18027 1089 1 2 . 1 1 88 88 ALA H H 88 8.283 8.283 7.495 0.788 18027 1090 1 2 . 1 1 89 89 PHE N N 89 119.245 119.245 119.680 -0.435 18027 1091 1 2 . 1 1 89 89 PHE HA H 89 3.114 3.114 3.889 -0.775 18027 1092 1 2 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.037 -1.492 18027 1093 1 2 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.614 -3.279 18027 1094 1 2 . 1 1 89 89 PHE H H 89 8.423 8.423 8.557 -0.134 18027 1095 1 2 . 1 1 90 90 ARG N N 90 117.455 117.455 118.397 -0.942 18027 1096 1 2 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.312 -0.463 18027 1097 1 2 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.299 -1.986 18027 1098 1 2 . 1 1 90 90 ARG CB C 90 27.197 27.197 28.933 -1.736 18027 1099 1 2 . 1 1 90 90 ARG H H 90 7.840 7.840 7.738 0.102 18027 1100 1 2 . 1 1 91 91 VAL N N 91 118.698 118.698 118.571 0.127 18027 1101 1 2 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.850 -0.598 18027 1102 1 2 . 1 1 91 91 VAL CA C 91 63.333 63.333 65.308 -1.976 18027 1103 1 2 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.648 -3.538 18027 1104 1 2 . 1 1 91 91 VAL H H 91 7.262 7.262 7.396 -0.134 18027 1105 1 2 . 1 1 92 92 PHE N N 92 112.495 112.495 118.097 -5.602 18027 1106 1 2 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.312 -0.378 18027 1107 1 2 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.548 -3.367 18027 1108 1 2 . 1 1 92 92 PHE CB C 92 39.419 39.419 40.253 -0.834 18027 1109 1 2 . 1 1 92 92 PHE H H 92 6.693 6.693 7.451 -0.758 18027 1110 1 2 . 1 1 93 93 ASP N N 93 117.214 117.214 117.488 -0.274 18027 1111 1 2 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.740 -0.306 18027 1112 1 2 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.998 -3.217 18027 1113 1 2 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.561 -3.112 18027 1114 1 2 . 1 1 93 93 ASP H H 93 7.954 7.954 8.190 -0.236 18027 1115 1 2 . 1 1 94 94 LYS N N 94 125.565 125.565 124.072 1.493 18027 1116 1 2 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.251 -0.472 18027 1117 1 2 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.586 -2.907 18027 1118 1 2 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.486 -2.891 18027 1119 1 2 . 1 1 94 94 LYS H H 94 7.671 7.671 8.181 -0.510 18027 1120 1 2 . 1 1 95 95 ASP N N 95 114.041 114.041 117.903 -3.862 18027 1121 1 2 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.694 -0.286 18027 1122 1 2 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.892 -3.679 18027 1123 1 2 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.172 -4.609 18027 1124 1 2 . 1 1 95 95 ASP H H 95 7.944 7.944 7.863 0.081 18027 1125 1 2 . 1 1 96 96 GLY N N 96 108.849 108.849 107.774 1.075 18027 1126 1 2 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.757 -1.558 18027 1127 1 2 . 1 1 96 96 GLY H H 96 7.529 7.529 8.015 -0.486 18027 1128 1 2 . 1 1 97 97 ASN N N 97 119.410 119.410 119.209 0.201 18027 1129 1 2 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.520 -0.096 18027 1130 1 2 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.494 -3.811 18027 1131 1 2 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.384 -1.821 18027 1132 1 2 . 1 1 97 97 ASN H H 97 8.234 8.234 8.427 -0.193 18027 1133 1 2 . 1 1 98 98 GLY N N 98 112.073 112.073 106.397 5.676 18027 1134 1 2 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.553 -3.377 18027 1135 1 2 . 1 1 98 98 GLY H H 98 10.298 10.298 8.452 1.846 18027 1136 1 2 . 1 1 99 99 TYR N N 99 116.011 116.011 115.878 0.133 18027 1137 1 2 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.172 -0.354 18027 1138 1 2 . 1 1 99 99 TYR CA C 99 53.681 53.681 54.637 -0.956 18027 1139 1 2 . 1 1 99 99 TYR CB C 99 39.875 39.875 39.848 0.027 18027 1140 1 2 . 1 1 99 99 TYR H H 99 7.497 7.497 7.080 0.417 18027 1141 1 2 . 1 1 100 100 ILE N N 100 126.793 126.793 121.378 5.415 18027 1142 1 2 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.302 0.121 18027 1143 1 2 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.485 -1.856 18027 1144 1 2 . 1 1 100 100 ILE CB C 100 35.748 35.748 39.238 -3.490 18027 1145 1 2 . 1 1 100 100 ILE H H 100 9.833 9.833 8.523 1.310 18027 1146 1 2 . 1 1 101 101 SER N N 101 123.825 123.825 123.939 -0.114 18027 1147 1 2 . 1 1 101 101 SER HA H 101 4.657 4.657 4.694 -0.037 18027 1148 1 2 . 1 1 101 101 SER CA C 101 53.060 53.060 58.123 -5.063 18027 1149 1 2 . 1 1 101 101 SER CB C 101 64.091 64.091 64.163 -0.072 18027 1150 1 2 . 1 1 101 101 SER H H 101 8.870 8.870 8.921 -0.051 18027 1151 1 2 . 1 1 102 102 ALA N N 102 122.909 122.909 126.990 -4.081 18027 1152 1 2 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.040 -0.276 18027 1153 1 2 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.160 -2.110 18027 1154 1 2 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.419 -3.444 18027 1155 1 2 . 1 1 102 102 ALA H H 102 9.209 9.209 9.023 0.186 18027 1156 1 2 . 1 1 103 103 ALA N N 103 118.692 118.692 119.854 -1.162 18027 1157 1 2 . 1 1 103 103 ALA HA H 103 3.874 3.874 3.946 -0.072 18027 1158 1 2 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.964 -2.479 18027 1159 1 2 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.147 -2.944 18027 1160 1 2 . 1 1 103 103 ALA H H 103 8.146 8.146 8.465 -0.319 18027 1161 1 2 . 1 1 104 104 GLU N N 104 120.098 120.098 118.943 1.155 18027 1162 1 2 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.320 -0.457 18027 1163 1 2 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.941 -2.366 18027 1164 1 2 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.565 -4.196 18027 1165 1 2 . 1 1 104 104 GLU H H 104 7.832 7.832 8.078 -0.246 18027 1166 1 2 . 1 1 105 105 LEU N N 105 121.466 121.466 120.690 0.776 18027 1167 1 2 . 1 1 105 105 LEU HA H 105 4.116 4.116 3.972 0.144 18027 1168 1 2 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.848 -2.152 18027 1169 1 2 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.955 -2.993 18027 1170 1 2 . 1 1 105 105 LEU H H 105 8.300 8.300 7.607 0.693 18027 1171 1 2 . 1 1 106 106 ARG N N 106 118.978 118.978 118.651 0.327 18027 1172 1 2 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.869 -0.017 18027 1173 1 2 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.983 -2.549 18027 1174 1 2 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.931 -2.848 18027 1175 1 2 . 1 1 106 106 ARG H H 106 8.882 8.882 7.891 0.991 18027 1176 1 2 . 1 1 107 107 HIS N N 107 118.543 118.543 118.098 0.445 18027 1177 1 2 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.275 -0.075 18027 1178 1 2 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.810 -2.985 18027 1179 1 2 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.485 -2.745 18027 1180 1 2 . 1 1 107 107 HIS H H 107 7.991 7.991 7.607 0.384 18027 1181 1 2 . 1 1 108 108 VAL N N 108 118.687 118.687 118.352 0.335 18027 1182 1 2 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.757 -0.665 18027 1183 1 2 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.016 -1.806 18027 1184 1 2 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.584 -2.674 18027 1185 1 2 . 1 1 108 108 VAL H H 108 7.425 7.425 7.422 0.003 18027 1186 1 2 . 1 1 109 109 MET N N 109 115.725 115.725 117.270 -1.545 18027 1187 1 2 . 1 1 109 109 MET HA H 109 3.944 3.944 4.302 -0.358 18027 1188 1 2 . 1 1 109 109 MET CA C 109 55.212 55.212 57.503 -2.291 18027 1189 1 2 . 1 1 109 109 MET CB C 109 27.425 27.425 32.169 -4.744 18027 1190 1 2 . 1 1 109 109 MET H H 109 7.972 7.972 7.513 0.459 18027 1191 1 2 . 1 1 110 110 THR N N 110 116.999 116.999 114.725 2.274 18027 1192 1 2 . 1 1 110 110 THR HA H 110 3.852 3.852 4.473 -0.621 18027 1193 1 2 . 1 1 110 110 THR CA C 110 63.918 63.918 64.743 -0.825 18027 1194 1 2 . 1 1 110 110 THR CB C 110 65.844 65.844 68.556 -2.712 18027 1195 1 2 . 1 1 110 110 THR H H 110 8.691 8.691 8.559 0.132 18027 1196 1 2 . 1 1 111 111 ASN N N 111 123.893 123.893 120.554 3.339 18027 1197 1 2 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.590 -0.349 18027 1198 1 2 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.168 -2.219 18027 1199 1 2 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.586 -3.622 18027 1200 1 2 . 1 1 111 111 ASN H H 111 7.911 7.911 7.969 -0.058 18027 1201 1 2 . 1 1 112 112 LEU N N 112 119.244 119.244 118.524 0.720 18027 1202 1 2 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.188 -0.116 18027 1203 1 2 . 1 1 112 112 LEU CA C 112 52.901 52.901 54.710 -1.809 18027 1204 1 2 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.417 -2.884 18027 1205 1 2 . 1 1 112 112 LEU H H 112 7.618 7.618 7.366 0.252 18027 1206 1 2 . 1 1 113 113 GLY N N 113 107.263 107.263 106.382 0.881 18027 1207 1 2 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.842 -2.405 18027 1208 1 2 . 1 1 113 113 GLY H H 113 7.743 7.743 7.437 0.306 18027 1209 1 2 . 1 1 114 114 GLU N N 114 120.073 120.073 119.375 0.698 18027 1210 1 2 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.560 -0.270 18027 1211 1 2 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.907 -3.381 18027 1212 1 2 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.351 -4.812 18027 1213 1 2 . 1 1 114 114 GLU H H 114 7.857 7.857 7.810 0.047 18027 1214 1 2 . 1 1 115 115 LYS N N 115 124.142 124.142 124.323 -0.181 18027 1215 1 2 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.804 -0.584 18027 1216 1 2 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.780 -2.886 18027 1217 1 2 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.321 -3.840 18027 1218 1 2 . 1 1 115 115 LYS H H 115 8.377 8.377 8.582 -0.205 18027 1219 1 2 . 1 1 116 116 LEU N N 116 125.240 125.240 125.165 0.075 18027 1220 1 2 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.669 -0.197 18027 1221 1 2 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.623 -2.185 18027 1222 1 2 . 1 1 116 116 LEU CB C 116 40.675 40.675 45.167 -4.492 18027 1223 1 2 . 1 1 116 116 LEU H H 116 8.002 8.002 8.569 -0.567 18027 1224 1 2 . 1 1 117 117 THR N N 117 113.520 113.520 113.250 0.270 18027 1225 1 2 . 1 1 117 117 THR CA C 117 57.922 57.922 60.434 -2.512 18027 1226 1 2 . 1 1 117 117 THR CB C 117 68.352 68.352 70.523 -2.171 18027 1227 1 2 . 1 1 117 117 THR H H 117 8.927 8.927 8.427 0.500 18027 1228 1 2 . 1 1 118 118 ASP N N 118 120.859 120.859 121.910 -1.051 18027 1229 1 2 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.443 -0.400 18027 1230 1 2 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.264 -2.099 18027 1231 1 2 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.870 -4.096 18027 1232 1 2 . 1 1 118 118 ASP H H 118 8.754 8.754 8.760 -0.006 18027 1233 1 2 . 1 1 119 119 GLU N N 119 119.112 119.112 118.134 0.978 18027 1234 1 2 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.039 -0.112 18027 1235 1 2 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.891 -1.701 18027 1236 1 2 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.491 -3.208 18027 1237 1 2 . 1 1 119 119 GLU H H 119 8.507 8.507 8.632 -0.125 18027 1238 1 2 . 1 1 120 120 GLU N N 120 120.059 120.059 118.020 2.039 18027 1239 1 2 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.326 -0.468 18027 1240 1 2 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.283 -1.824 18027 1241 1 2 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.813 -2.296 18027 1242 1 2 . 1 1 120 120 GLU H H 120 7.809 7.809 7.914 -0.105 18027 1243 1 2 . 1 1 121 121 VAL N N 121 120.512 120.512 120.747 -0.235 18027 1244 1 2 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.674 -0.202 18027 1245 1 2 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.182 -2.100 18027 1246 1 2 . 1 1 121 121 VAL CB C 121 28.567 28.567 30.880 -2.313 18027 1247 1 2 . 1 1 121 121 VAL H H 121 7.898 7.898 7.391 0.507 18027 1248 1 2 . 1 1 122 122 ASP N N 122 119.857 119.857 119.370 0.487 18027 1249 1 2 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.327 -0.159 18027 1250 1 2 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.649 -2.743 18027 1251 1 2 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.755 -3.278 18027 1252 1 2 . 1 1 122 122 ASP H H 122 7.897 7.897 7.827 0.070 18027 1253 1 2 . 1 1 123 123 GLU N N 123 119.630 119.630 118.605 1.025 18027 1254 1 2 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.143 -0.305 18027 1255 1 2 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.593 -1.516 18027 1256 1 2 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.436 -3.267 18027 1257 1 2 . 1 1 123 123 GLU H H 123 7.963 7.963 7.639 0.324 18027 1258 1 2 . 1 1 124 124 MET N N 124 119.144 119.144 116.652 2.492 18027 1259 1 2 . 1 1 124 124 MET HA H 124 3.859 3.859 4.311 -0.452 18027 1260 1 2 . 1 1 124 124 MET CA C 124 56.508 56.508 55.858 0.650 18027 1261 1 2 . 1 1 124 124 MET CB C 124 29.253 29.253 32.599 -3.346 18027 1262 1 2 . 1 1 124 124 MET H H 124 7.631 7.631 7.768 -0.137 18027 1263 1 2 . 1 1 125 125 ILE N N 125 117.557 117.557 119.045 -1.488 18027 1264 1 2 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.989 -0.705 18027 1265 1 2 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.125 -2.986 18027 1266 1 2 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.525 -3.475 18027 1267 1 2 . 1 1 125 125 ILE H H 125 7.669 7.669 7.557 0.112 18027 1268 1 2 . 1 1 126 126 ARG N N 126 118.414 118.414 120.063 -1.649 18027 1269 1 2 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.181 -0.323 18027 1270 1 2 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.269 -1.467 18027 1271 1 2 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.360 -1.935 18027 1272 1 2 . 1 1 126 126 ARG H H 126 7.952 7.952 7.532 0.420 18027 1273 1 2 . 1 1 127 127 GLU N N 127 116.143 116.143 117.504 -1.361 18027 1274 1 2 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.262 -0.404 18027 1275 1 2 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.025 -1.810 18027 1276 1 2 . 1 1 127 127 GLU CB C 127 27.197 27.197 29.840 -2.643 18027 1277 1 2 . 1 1 127 127 GLU H H 127 7.294 7.294 8.164 -0.870 18027 1278 1 2 . 1 1 128 128 ALA N N 128 116.994 116.994 120.043 -3.049 18027 1279 1 2 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.524 -0.071 18027 1280 1 2 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.720 -3.548 18027 1281 1 2 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.889 -1.117 18027 1282 1 2 . 1 1 128 128 ALA H H 128 7.110 7.110 7.074 0.036 18027 1283 1 2 . 1 1 129 129 ASP N N 129 117.846 117.846 120.916 -3.070 18027 1284 1 2 . 1 1 129 129 ASP HA H 129 4.442 4.442 5.176 -0.734 18027 1285 1 2 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.655 -3.022 18027 1286 1 2 . 1 1 129 129 ASP CB C 129 38.505 38.505 41.032 -2.527 18027 1287 1 2 . 1 1 129 129 ASP H H 129 7.508 7.508 8.553 -1.045 18027 1288 1 2 . 1 1 130 130 ILE N N 130 128.118 128.118 119.963 8.155 18027 1289 1 2 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.058 -0.308 18027 1290 1 2 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.765 -3.182 18027 1291 1 2 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.287 -2.524 18027 1292 1 2 . 1 1 130 130 ILE H H 130 8.168 8.168 7.928 0.240 18027 1293 1 2 . 1 1 131 131 ASP N N 131 116.572 116.572 120.161 -3.589 18027 1294 1 2 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.629 -0.333 18027 1295 1 2 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.309 -2.187 18027 1296 1 2 . 1 1 131 131 ASP CB C 131 37.477 37.477 41.152 -3.675 18027 1297 1 2 . 1 1 131 131 ASP H H 131 8.136 8.136 8.269 -0.133 18027 1298 1 2 . 1 1 132 132 GLY N N 132 108.411 108.411 109.070 -0.659 18027 1299 1 2 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.939 -1.432 18027 1300 1 2 . 1 1 132 132 GLY H H 132 7.460 7.460 8.184 -0.724 18027 1301 1 2 . 1 1 133 133 ASP N N 133 120.424 120.424 119.921 0.503 18027 1302 1 2 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.528 -0.232 18027 1303 1 2 . 1 1 133 133 ASP CA C 133 50.853 50.853 54.406 -3.553 18027 1304 1 2 . 1 1 133 133 ASP H H 133 8.177 8.177 8.231 -0.054 18027 1305 1 2 . 1 1 134 134 GLY N N 134 112.396 112.396 107.090 5.306 18027 1306 1 2 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.368 -2.316 18027 1307 1 2 . 1 1 134 134 GLY H H 134 10.043 10.043 7.846 2.197 18027 1308 1 2 . 1 1 135 135 GLN N N 135 115.588 115.588 117.851 -2.263 18027 1309 1 2 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.232 -0.428 18027 1310 1 2 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.945 -3.530 18027 1311 1 2 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.470 -3.189 18027 1312 1 2 . 1 1 135 135 GLN H H 135 7.866 7.866 7.492 0.374 18027 1313 1 2 . 1 1 136 136 VAL N N 136 124.910 124.910 121.050 3.860 18027 1314 1 2 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.550 0.449 18027 1315 1 2 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.902 -2.195 18027 1316 1 2 . 1 1 136 136 VAL CB C 136 31.080 31.080 32.360 -1.280 18027 1317 1 2 . 1 1 136 136 VAL H H 136 8.856 8.856 8.801 0.055 18027 1318 1 2 . 1 1 137 137 ASN N N 137 129.009 129.009 124.015 4.994 18027 1319 1 2 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.186 -0.013 18027 1320 1 2 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.829 -3.746 18027 1321 1 2 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.364 -4.730 18027 1322 1 2 . 1 1 137 137 ASN H H 137 9.390 9.390 8.453 0.937 18027 1323 1 2 . 1 1 138 138 TYR N N 138 118.471 118.471 121.148 -2.677 18027 1324 1 2 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.189 0.289 18027 1325 1 2 . 1 1 138 138 TYR CA C 138 59.799 59.799 63.196 -3.397 18027 1326 1 2 . 1 1 138 138 TYR CB C 138 35.535 35.535 38.613 -3.078 18027 1327 1 2 . 1 1 138 138 TYR H H 138 8.075 8.075 9.174 -1.099 18027 1328 1 2 . 1 1 139 139 GLU N N 139 118.535 118.535 118.358 0.177 18027 1329 1 2 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.108 -0.270 18027 1330 1 2 . 1 1 139 139 GLU CA C 139 57.532 57.532 60.071 -2.539 18027 1331 1 2 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.664 -2.724 18027 1332 1 2 . 1 1 139 139 GLU H H 139 7.925 7.925 8.780 -0.855 18027 1333 1 2 . 1 1 140 140 GLU N N 140 119.583 119.583 119.250 0.333 18027 1334 1 2 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.179 -0.330 18027 1335 1 2 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.814 -2.732 18027 1336 1 2 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.554 -3.043 18027 1337 1 2 . 1 1 140 140 GLU H H 140 8.664 8.664 8.661 0.003 18027 1338 1 2 . 1 1 141 141 PHE N N 141 123.810 123.810 120.713 3.097 18027 1339 1 2 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.092 -0.371 18027 1340 1 2 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.555 -2.463 18027 1341 1 2 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.386 -1.681 18027 1342 1 2 . 1 1 141 141 PHE H H 141 8.395 8.395 8.186 0.209 18027 1343 1 2 . 1 1 142 142 VAL N N 142 118.551 118.551 117.844 0.707 18027 1344 1 2 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.503 -0.411 18027 1345 1 2 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.147 -1.965 18027 1346 1 2 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.841 -3.045 18027 1347 1 2 . 1 1 142 142 VAL H H 142 8.484 8.484 8.572 -0.088 18027 1348 1 2 . 1 1 143 143 GLN N N 143 119.672 119.672 117.499 2.173 18027 1349 1 2 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.026 -0.188 18027 1350 1 2 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.065 -1.792 18027 1351 1 2 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.590 -3.678 18027 1352 1 2 . 1 1 143 143 GLN H H 143 7.803 7.803 7.631 0.172 18027 1353 1 2 . 1 1 144 144 MET N N 144 116.710 116.710 117.269 -0.559 18027 1354 1 2 . 1 1 144 144 MET HA H 144 3.943 3.943 4.106 -0.163 18027 1355 1 2 . 1 1 144 144 MET CA C 144 55.387 55.387 57.951 -2.564 18027 1356 1 2 . 1 1 144 144 MET CB C 144 29.709 29.709 32.303 -2.594 18027 1357 1 2 . 1 1 144 144 MET H H 144 7.322 7.322 7.353 -0.031 18027 1358 1 2 . 1 1 145 145 MET N N 145 114.879 114.879 114.754 0.125 18027 1359 1 2 . 1 1 145 145 MET HA H 145 4.062 4.062 4.413 -0.351 18027 1360 1 2 . 1 1 145 145 MET CA C 145 53.291 53.291 56.335 -3.044 18027 1361 1 2 . 1 1 145 145 MET CB C 145 29.253 29.253 32.789 -3.536 18027 1362 1 2 . 1 1 145 145 MET H H 145 7.467 7.467 7.666 -0.199 18027 1363 1 2 . 1 1 146 146 THR N N 146 108.698 108.698 108.959 -0.261 18027 1364 1 2 . 1 1 146 146 THR HA H 146 4.136 4.136 4.393 -0.257 18027 1365 1 2 . 1 1 146 146 THR CA C 146 59.201 59.201 62.099 -2.898 18027 1366 1 2 . 1 1 146 146 THR CB C 146 67.404 67.404 69.589 -2.185 18027 1367 1 2 . 1 1 146 146 THR H H 146 7.551 7.551 7.489 0.062 18027 1368 1 2 . 1 1 147 147 ALA N N 147 126.669 126.669 125.717 0.952 18027 1369 1 2 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.456 -0.311 18027 1370 1 2 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.629 -1.556 18027 1371 1 2 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.404 -4.059 18027 1372 1 2 . 1 1 147 147 ALA H H 147 7.596 7.596 7.379 0.217 18027 1373 1 3 . 1 1 2 2 ASP N N 2 120.442 120.442 120.624 -0.182 18027 1374 1 3 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.640 -0.187 18027 1375 1 3 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.642 -2.713 18027 1376 1 3 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.271 -2.766 18027 1377 1 3 . 1 1 2 2 ASP H H 2 8.521 8.521 8.484 0.037 18027 1378 1 3 . 1 1 3 3 GLN N N 3 119.769 119.769 118.929 0.840 18027 1379 1 3 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.462 -0.244 18027 1380 1 3 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.355 -2.668 18027 1381 1 3 . 1 1 3 3 GLN H H 3 8.199 8.199 7.951 0.248 18027 1382 1 3 . 1 1 4 4 LEU N N 4 120.939 120.939 123.283 -2.344 18027 1383 1 3 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.577 -0.094 18027 1384 1 3 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.773 -3.189 18027 1385 1 3 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.493 -2.932 18027 1386 1 3 . 1 1 4 4 LEU H H 4 7.510 7.510 8.515 -1.005 18027 1387 1 3 . 1 1 5 5 THR N N 5 112.777 112.777 115.668 -2.891 18027 1388 1 3 . 1 1 5 5 THR HA H 5 4.253 4.253 4.515 -0.262 18027 1389 1 3 . 1 1 5 5 THR CA C 5 57.873 57.873 61.993 -4.120 18027 1390 1 3 . 1 1 5 5 THR CB C 5 68.203 68.203 69.113 -0.910 18027 1391 1 3 . 1 1 5 5 THR H H 5 8.576 8.576 8.518 0.058 18027 1392 1 3 . 1 1 6 6 GLU N N 6 120.254 120.254 120.365 -0.111 18027 1393 1 3 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.151 -0.357 18027 1394 1 3 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.036 -1.391 18027 1395 1 3 . 1 1 6 6 GLU CB C 6 26.286 26.286 28.993 -2.707 18027 1396 1 3 . 1 1 6 6 GLU H H 6 8.874 8.874 8.721 0.153 18027 1397 1 3 . 1 1 7 7 GLU N N 7 119.637 119.637 119.283 0.354 18027 1398 1 3 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.209 -0.313 18027 1399 1 3 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.789 -1.613 18027 1400 1 3 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.462 -3.408 18027 1401 1 3 . 1 1 7 7 GLU H H 7 8.536 8.536 8.403 0.133 18027 1402 1 3 . 1 1 8 8 GLN N N 8 120.086 120.086 118.354 1.732 18027 1403 1 3 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.456 -0.618 18027 1404 1 3 . 1 1 8 8 GLN CA C 8 56.411 56.411 57.707 -1.296 18027 1405 1 3 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.208 -2.583 18027 1406 1 3 . 1 1 8 8 GLN H H 8 7.499 7.499 7.809 -0.310 18027 1407 1 3 . 1 1 9 9 ILE N N 9 120.295 120.295 119.469 0.826 18027 1408 1 3 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.908 -0.241 18027 1409 1 3 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.491 -0.445 18027 1410 1 3 . 1 1 9 9 ILE H H 9 8.405 8.405 8.631 -0.226 18027 1411 1 3 . 1 1 10 10 ALA N N 10 121.503 121.503 121.132 0.371 18027 1412 1 3 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.155 -0.244 18027 1413 1 3 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.006 -2.349 18027 1414 1 3 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.128 -3.152 18027 1415 1 3 . 1 1 10 10 ALA H H 10 7.949 7.949 7.539 0.410 18027 1416 1 3 . 1 1 11 11 GLU N N 11 118.352 118.352 118.515 -0.163 18027 1417 1 3 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.153 -0.315 18027 1418 1 3 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.656 -1.983 18027 1419 1 3 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.549 -2.580 18027 1420 1 3 . 1 1 11 11 GLU H H 11 7.700 7.700 7.841 -0.141 18027 1421 1 3 . 1 1 12 12 PHE N N 12 117.277 117.277 120.466 -3.189 18027 1422 1 3 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.358 0.119 18027 1423 1 3 . 1 1 12 12 PHE CA C 12 59.655 59.655 61.907 -2.252 18027 1424 1 3 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.392 -3.857 18027 1425 1 3 . 1 1 12 12 PHE H H 12 8.211 8.211 7.535 0.676 18027 1426 1 3 . 1 1 13 13 LYS N N 13 122.928 122.928 118.939 3.989 18027 1427 1 3 . 1 1 13 13 LYS HA H 13 3.925 3.925 4.006 -0.081 18027 1428 1 3 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.337 -2.183 18027 1429 1 3 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.217 -6.048 18027 1430 1 3 . 1 1 13 13 LYS H H 13 8.925 8.925 7.698 1.227 18027 1431 1 3 . 1 1 14 14 GLU N N 14 119.706 119.706 117.472 2.234 18027 1432 1 3 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.221 -0.363 18027 1433 1 3 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.650 -2.314 18027 1434 1 3 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.976 -3.693 18027 1435 1 3 . 1 1 14 14 GLU H H 14 7.824 7.824 7.782 0.042 18027 1436 1 3 . 1 1 15 15 ALA N N 15 123.880 123.880 122.633 1.247 18027 1437 1 3 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.269 -0.402 18027 1438 1 3 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.296 -1.461 18027 1439 1 3 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.430 -3.227 18027 1440 1 3 . 1 1 15 15 ALA H H 15 8.124 8.124 8.051 0.073 18027 1441 1 3 . 1 1 16 16 PHE N N 16 118.972 118.972 118.113 0.859 18027 1442 1 3 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.193 -1.061 18027 1443 1 3 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.379 -0.396 18027 1444 1 3 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.435 -2.986 18027 1445 1 3 . 1 1 16 16 PHE H H 16 8.446 8.446 8.125 0.321 18027 1446 1 3 . 1 1 17 17 SER N N 17 114.737 114.737 115.122 -0.385 18027 1447 1 3 . 1 1 17 17 SER HA H 17 3.902 3.902 4.415 -0.513 18027 1448 1 3 . 1 1 17 17 SER CA C 17 58.999 58.999 60.491 -1.492 18027 1449 1 3 . 1 1 17 17 SER CB C 17 60.436 60.436 63.178 -2.742 18027 1450 1 3 . 1 1 17 17 SER H H 17 7.874 7.874 7.631 0.243 18027 1451 1 3 . 1 1 18 18 LEU N N 18 120.225 120.225 119.396 0.829 18027 1452 1 3 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.021 -0.236 18027 1453 1 3 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.087 -2.358 18027 1454 1 3 . 1 1 18 18 LEU CB C 18 38.162 38.162 41.311 -3.149 18027 1455 1 3 . 1 1 18 18 LEU H H 18 7.183 7.183 7.590 -0.407 18027 1456 1 3 . 1 1 19 19 PHE N N 19 112.357 112.357 112.673 -0.316 18027 1457 1 3 . 1 1 19 19 PHE CA C 19 56.424 56.424 59.267 -2.844 18027 1458 1 3 . 1 1 19 19 PHE H H 19 6.977 6.977 7.635 -0.658 18027 1459 1 3 . 1 1 20 20 ASP N N 20 117.274 117.274 119.261 -1.987 18027 1460 1 3 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.832 -0.400 18027 1461 1 3 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.707 -3.195 18027 1462 1 3 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.667 -3.990 18027 1463 1 3 . 1 1 20 20 ASP H H 20 7.446 7.446 7.669 -0.223 18027 1464 1 3 . 1 1 21 21 LYS N N 21 124.296 124.296 122.313 1.983 18027 1465 1 3 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.236 -0.398 18027 1466 1 3 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.165 -1.486 18027 1467 1 3 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.018 -2.423 18027 1468 1 3 . 1 1 21 21 LYS H H 21 7.520 7.520 7.960 -0.440 18027 1469 1 3 . 1 1 22 22 ASP N N 22 113.761 113.761 118.660 -4.899 18027 1470 1 3 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.675 -0.241 18027 1471 1 3 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.971 -4.910 18027 1472 1 3 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.707 -5.144 18027 1473 1 3 . 1 1 22 22 ASP H H 22 7.819 7.819 7.792 0.027 18027 1474 1 3 . 1 1 23 23 GLY N N 23 108.838 108.838 108.498 0.340 18027 1475 1 3 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.334 -1.029 18027 1476 1 3 . 1 1 23 23 GLY H H 23 7.497 7.497 8.171 -0.674 18027 1477 1 3 . 1 1 24 24 ASP N N 24 120.790 120.790 119.924 0.866 18027 1478 1 3 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.741 -0.391 18027 1479 1 3 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.425 -3.572 18027 1480 1 3 . 1 1 24 24 ASP CB C 24 37.363 37.363 42.774 -5.411 18027 1481 1 3 . 1 1 24 24 ASP H H 24 8.312 8.312 8.229 0.083 18027 1482 1 3 . 1 1 25 25 GLY N N 25 112.499 112.499 110.587 1.912 18027 1483 1 3 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.477 -3.057 18027 1484 1 3 . 1 1 25 25 GLY H H 25 10.352 10.352 8.899 1.453 18027 1485 1 3 . 1 1 26 26 THR N N 26 111.781 111.781 110.454 1.327 18027 1486 1 3 . 1 1 26 26 THR HA H 26 5.316 5.316 5.682 -0.366 18027 1487 1 3 . 1 1 26 26 THR CA C 26 56.878 56.878 60.317 -3.439 18027 1488 1 3 . 1 1 26 26 THR CB C 26 70.031 70.031 72.229 -2.198 18027 1489 1 3 . 1 1 26 26 THR H H 26 8.018 8.018 8.260 -0.242 18027 1490 1 3 . 1 1 27 27 ILE N N 27 126.162 126.162 124.472 1.690 18027 1491 1 3 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.489 0.169 18027 1492 1 3 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.110 -1.633 18027 1493 1 3 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.600 -2.028 18027 1494 1 3 . 1 1 27 27 ILE H H 27 9.769 9.769 8.476 1.293 18027 1495 1 3 . 1 1 28 28 THR N N 28 116.311 116.311 118.210 -1.899 18027 1496 1 3 . 1 1 28 28 THR HA H 28 4.669 4.669 4.984 -0.315 18027 1497 1 3 . 1 1 28 28 THR CA C 28 56.878 56.878 60.810 -3.932 18027 1498 1 3 . 1 1 28 28 THR CB C 28 69.688 69.688 70.040 -0.352 18027 1499 1 3 . 1 1 28 28 THR H H 28 8.302 8.302 8.528 -0.226 18027 1500 1 3 . 1 1 29 29 THR N N 29 112.465 112.465 112.494 -0.029 18027 1501 1 3 . 1 1 29 29 THR HA H 29 3.633 3.633 4.003 -0.370 18027 1502 1 3 . 1 1 29 29 THR CA C 29 63.820 63.820 65.897 -2.077 18027 1503 1 3 . 1 1 29 29 THR CB C 29 65.160 65.160 68.617 -3.457 18027 1504 1 3 . 1 1 29 29 THR H H 29 9.078 9.078 8.425 0.653 18027 1505 1 3 . 1 1 30 30 LYS N N 30 120.792 120.792 119.528 1.264 18027 1506 1 3 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.180 -0.225 18027 1507 1 3 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.631 -2.062 18027 1508 1 3 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.596 -2.001 18027 1509 1 3 . 1 1 30 30 LYS H H 30 7.467 7.467 8.303 -0.836 18027 1510 1 3 . 1 1 31 31 GLU N N 31 121.359 121.359 119.232 2.127 18027 1511 1 3 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.172 -0.266 18027 1512 1 3 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.422 -1.745 18027 1513 1 3 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.267 -2.185 18027 1514 1 3 . 1 1 31 31 GLU H H 31 7.574 7.574 7.506 0.068 18027 1515 1 3 . 1 1 32 32 LEU N N 32 120.087 120.087 121.016 -0.929 18027 1516 1 3 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.322 -0.265 18027 1517 1 3 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.616 -2.044 18027 1518 1 3 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.169 -2.317 18027 1519 1 3 . 1 1 32 32 LEU H H 32 8.712 8.712 7.821 0.891 18027 1520 1 3 . 1 1 33 33 GLY N N 33 105.634 105.634 104.721 0.913 18027 1521 1 3 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.143 -1.506 18027 1522 1 3 . 1 1 33 33 GLY H H 33 8.696 8.696 7.817 0.879 18027 1523 1 3 . 1 1 34 34 THR N N 34 117.265 117.265 117.568 -0.303 18027 1524 1 3 . 1 1 34 34 THR HA H 34 3.810 3.810 3.992 -0.182 18027 1525 1 3 . 1 1 34 34 THR CA C 34 64.259 64.259 66.378 -2.119 18027 1526 1 3 . 1 1 34 34 THR CB C 34 66.033 66.033 68.799 -2.766 18027 1527 1 3 . 1 1 34 34 THR H H 34 7.785 7.785 7.422 0.363 18027 1528 1 3 . 1 1 35 35 VAL N N 35 121.498 121.498 121.261 0.237 18027 1529 1 3 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.688 -0.287 18027 1530 1 3 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.553 -1.246 18027 1531 1 3 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.666 -2.870 18027 1532 1 3 . 1 1 35 35 VAL H H 35 7.268 7.268 7.176 0.092 18027 1533 1 3 . 1 1 36 36 MET N N 36 117.302 117.302 118.514 -1.212 18027 1534 1 3 . 1 1 36 36 MET HA H 36 3.842 3.842 4.197 -0.355 18027 1535 1 3 . 1 1 36 36 MET CA C 36 56.606 56.606 57.971 -1.365 18027 1536 1 3 . 1 1 36 36 MET CB C 36 28.453 28.453 31.617 -3.164 18027 1537 1 3 . 1 1 36 36 MET H H 36 8.487 8.487 7.448 1.039 18027 1538 1 3 . 1 1 37 37 ARG N N 37 118.262 118.262 117.922 0.340 18027 1539 1 3 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.413 0.244 18027 1540 1 3 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.608 -2.128 18027 1541 1 3 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.249 -3.509 18027 1542 1 3 . 1 1 37 37 ARG H H 37 8.330 8.330 8.303 0.027 18027 1543 1 3 . 1 1 38 38 SER N N 38 117.873 117.873 114.314 3.559 18027 1544 1 3 . 1 1 38 38 SER H H 38 7.815 7.815 7.550 0.265 18027 1545 1 3 . 1 1 39 39 LEU N N 39 117.970 117.970 119.397 -1.427 18027 1546 1 3 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.401 -0.329 18027 1547 1 3 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.147 -3.709 18027 1548 1 3 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.662 -4.500 18027 1549 1 3 . 1 1 39 39 LEU H H 39 7.326 7.326 7.388 -0.062 18027 1550 1 3 . 1 1 40 40 GLY N N 40 106.755 106.755 105.540 1.215 18027 1551 1 3 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.765 -2.101 18027 1552 1 3 . 1 1 40 40 GLY H H 40 7.636 7.636 7.602 0.034 18027 1553 1 3 . 1 1 41 41 GLN N N 41 118.316 118.316 119.511 -1.195 18027 1554 1 3 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.589 -0.304 18027 1555 1 3 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.204 -3.351 18027 1556 1 3 . 1 1 41 41 GLN CB C 41 27.311 27.311 32.751 -5.440 18027 1557 1 3 . 1 1 41 41 GLN H H 41 7.827 7.827 8.220 -0.393 18027 1558 1 3 . 1 1 42 42 ASN N N 42 115.866 115.866 120.335 -4.469 18027 1559 1 3 . 1 1 42 42 ASN HA H 42 5.013 5.013 4.883 0.130 18027 1560 1 3 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.363 -2.801 18027 1561 1 3 . 1 1 42 42 ASN CB C 42 36.318 36.318 38.105 -1.787 18027 1562 1 3 . 1 1 42 42 ASN H H 42 8.557 8.557 8.552 0.005 18027 1563 1 3 . 1 1 44 44 THR N N 44 113.035 113.035 114.751 -1.716 18027 1564 1 3 . 1 1 44 44 THR HA H 44 4.296 4.296 4.581 -0.285 18027 1565 1 3 . 1 1 44 44 THR CA C 44 57.922 57.922 59.965 -2.042 18027 1566 1 3 . 1 1 44 44 THR CB C 44 68.317 68.317 72.031 -3.715 18027 1567 1 3 . 1 1 44 44 THR H H 44 8.694 8.694 7.943 0.751 18027 1568 1 3 . 1 1 45 45 GLU N N 45 120.283 120.283 121.099 -0.816 18027 1569 1 3 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.119 -0.223 18027 1570 1 3 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.095 -1.739 18027 1571 1 3 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.033 -3.317 18027 1572 1 3 . 1 1 45 45 GLU H H 45 8.687 8.687 8.792 -0.105 18027 1573 1 3 . 1 1 46 46 ALA N N 46 120.685 120.685 122.277 -1.592 18027 1574 1 3 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.164 -0.294 18027 1575 1 3 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.472 -2.156 18027 1576 1 3 . 1 1 46 46 ALA CB C 46 15.089 15.089 17.991 -2.902 18027 1577 1 3 . 1 1 46 46 ALA H H 46 8.153 8.153 8.279 -0.126 18027 1578 1 3 . 1 1 47 47 GLU N N 47 118.546 118.546 117.571 0.975 18027 1579 1 3 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.191 -0.332 18027 1580 1 3 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.677 -2.169 18027 1581 1 3 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.214 -2.474 18027 1582 1 3 . 1 1 47 47 GLU H H 47 7.554 7.554 8.509 -0.955 18027 1583 1 3 . 1 1 48 48 LEU N N 48 120.085 120.085 121.159 -1.074 18027 1584 1 3 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.140 -0.200 18027 1585 1 3 . 1 1 48 48 LEU CA C 48 55.368 55.368 58.127 -2.759 18027 1586 1 3 . 1 1 48 48 LEU CB C 48 39.419 39.419 42.116 -2.697 18027 1587 1 3 . 1 1 48 48 LEU H H 48 8.247 8.247 7.606 0.641 18027 1588 1 3 . 1 1 49 49 GLN N N 49 118.119 118.119 116.952 1.167 18027 1589 1 3 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.013 -0.101 18027 1590 1 3 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.747 -2.044 18027 1591 1 3 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.433 -2.036 18027 1592 1 3 . 1 1 49 49 GLN H H 49 7.891 7.891 7.710 0.181 18027 1593 1 3 . 1 1 50 50 ASP N N 50 119.263 119.263 120.838 -1.575 18027 1594 1 3 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.462 -0.283 18027 1595 1 3 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.902 -2.026 18027 1596 1 3 . 1 1 50 50 ASP CB C 50 37.248 37.248 41.011 -3.764 18027 1597 1 3 . 1 1 50 50 ASP H H 50 7.803 7.803 7.639 0.164 18027 1598 1 3 . 1 1 51 51 MET N N 51 120.178 120.178 117.145 3.033 18027 1599 1 3 . 1 1 51 51 MET HA H 51 3.966 3.966 4.383 -0.417 18027 1600 1 3 . 1 1 51 51 MET CA C 51 57.074 57.074 58.554 -1.480 18027 1601 1 3 . 1 1 51 51 MET CB C 51 29.975 29.975 33.243 -3.268 18027 1602 1 3 . 1 1 51 51 MET H H 51 7.831 7.831 7.439 0.392 18027 1603 1 3 . 1 1 52 52 ILE N N 52 116.856 116.856 120.179 -3.323 18027 1604 1 3 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.708 -0.359 18027 1605 1 3 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.030 -2.355 18027 1606 1 3 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.483 -3.661 18027 1607 1 3 . 1 1 52 52 ILE H H 52 7.703 7.703 7.516 0.187 18027 1608 1 3 . 1 1 53 53 ASN N N 53 117.417 117.417 114.719 2.698 18027 1609 1 3 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.470 -0.217 18027 1610 1 3 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.574 -2.533 18027 1611 1 3 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.332 -3.254 18027 1612 1 3 . 1 1 53 53 ASN H H 53 8.187 8.187 7.903 0.284 18027 1613 1 3 . 1 1 54 54 GLU N N 54 116.996 116.996 118.654 -1.658 18027 1614 1 3 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.228 -0.369 18027 1615 1 3 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.376 -2.502 18027 1616 1 3 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.515 -4.118 18027 1617 1 3 . 1 1 54 54 GLU H H 54 7.391 7.391 7.531 -0.140 18027 1618 1 3 . 1 1 55 55 VAL N N 55 114.596 114.596 114.634 -0.038 18027 1619 1 3 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.099 -0.112 18027 1620 1 3 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.930 -3.985 18027 1621 1 3 . 1 1 55 55 VAL CB C 55 30.738 30.738 33.146 -2.408 18027 1622 1 3 . 1 1 55 55 VAL H H 55 7.151 7.151 7.531 -0.380 18027 1623 1 3 . 1 1 56 56 ASP N N 56 119.670 119.670 122.747 -3.077 18027 1624 1 3 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.437 -0.120 18027 1625 1 3 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.355 -3.999 18027 1626 1 3 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.309 -3.718 18027 1627 1 3 . 1 1 56 56 ASP H H 56 7.913 7.913 8.270 -0.357 18027 1628 1 3 . 1 1 57 57 ALA N N 57 131.491 131.491 129.282 2.209 18027 1629 1 3 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.197 -0.096 18027 1630 1 3 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.846 -2.663 18027 1631 1 3 . 1 1 57 57 ALA H H 57 8.126 8.126 8.804 -0.678 18027 1632 1 3 . 1 1 58 58 ASP N N 58 114.255 114.255 117.806 -3.551 18027 1633 1 3 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.655 -0.221 18027 1634 1 3 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.683 -4.723 18027 1635 1 3 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.449 -4.886 18027 1636 1 3 . 1 1 58 58 ASP H H 58 8.130 8.130 8.224 -0.094 18027 1637 1 3 . 1 1 59 59 GLY N N 59 108.987 108.987 107.317 1.670 18027 1638 1 3 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.330 -1.034 18027 1639 1 3 . 1 1 59 59 GLY H H 59 7.504 7.504 8.408 -0.904 18027 1640 1 3 . 1 1 60 60 ASN N N 60 118.770 118.770 118.714 0.056 18027 1641 1 3 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.891 -0.462 18027 1642 1 3 . 1 1 60 60 ASN CA C 60 49.859 49.859 51.993 -2.134 18027 1643 1 3 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.038 -5.531 18027 1644 1 3 . 1 1 60 60 ASN H H 60 8.095 8.095 8.616 -0.521 18027 1645 1 3 . 1 1 61 61 GLY N N 61 112.773 112.773 108.692 4.081 18027 1646 1 3 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.407 -2.695 18027 1647 1 3 . 1 1 61 61 GLY H H 61 10.280 10.280 8.868 1.412 18027 1648 1 3 . 1 1 62 62 THR N N 62 108.117 108.117 111.321 -3.204 18027 1649 1 3 . 1 1 62 62 THR HA H 62 4.672 4.672 5.035 -0.363 18027 1650 1 3 . 1 1 62 62 THR CA C 62 56.878 56.878 60.109 -3.231 18027 1651 1 3 . 1 1 62 62 THR CB C 62 69.688 69.688 71.428 -1.740 18027 1652 1 3 . 1 1 62 62 THR H H 62 7.475 7.475 7.712 -0.237 18027 1653 1 3 . 1 1 63 63 ILE N N 63 122.642 122.642 122.982 -0.340 18027 1654 1 3 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.394 0.402 18027 1655 1 3 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.000 -2.188 18027 1656 1 3 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.298 -3.935 18027 1657 1 3 . 1 1 63 63 ILE H H 63 8.449 8.449 8.352 0.097 18027 1658 1 3 . 1 1 64 64 ASP N N 64 128.633 128.633 125.386 3.247 18027 1659 1 3 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.354 -0.038 18027 1660 1 3 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.039 -3.759 18027 1661 1 3 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.873 -4.112 18027 1662 1 3 . 1 1 64 64 ASP H H 64 9.011 9.011 8.445 0.566 18027 1663 1 3 . 1 1 65 65 PHE N N 65 118.892 118.892 116.966 1.926 18027 1664 1 3 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.402 -0.635 18027 1665 1 3 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.934 -0.721 18027 1666 1 3 . 1 1 65 65 PHE H H 65 8.766 8.766 8.304 0.462 18027 1667 1 3 . 1 1 67 67 GLU N N 67 118.675 118.675 116.039 2.636 18027 1668 1 3 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.263 -0.426 18027 1669 1 3 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.402 -0.797 18027 1670 1 3 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.840 -2.443 18027 1671 1 3 . 1 1 67 67 GLU H H 67 7.487 7.487 8.717 -1.230 18027 1672 1 3 . 1 1 68 68 PHE N N 68 123.182 123.182 120.955 2.227 18027 1673 1 3 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.334 -0.666 18027 1674 1 3 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.568 -3.139 18027 1675 1 3 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.516 -1.925 18027 1676 1 3 . 1 1 68 68 PHE H H 68 8.066 8.066 7.454 0.612 18027 1677 1 3 . 1 1 69 69 LEU N N 69 119.530 119.530 118.065 1.465 18027 1678 1 3 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.011 -0.056 18027 1679 1 3 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.055 -2.281 18027 1680 1 3 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.383 -1.964 18027 1681 1 3 . 1 1 69 69 LEU H H 69 8.672 8.672 7.864 0.808 18027 1682 1 3 . 1 1 70 70 THR N N 70 113.765 113.765 114.740 -0.975 18027 1683 1 3 . 1 1 70 70 THR HA H 70 3.806 3.806 4.020 -0.214 18027 1684 1 3 . 1 1 70 70 THR CA C 70 63.861 63.861 65.730 -1.869 18027 1685 1 3 . 1 1 70 70 THR CB C 70 66.147 66.147 68.797 -2.650 18027 1686 1 3 . 1 1 70 70 THR H H 70 7.909 7.909 7.725 0.184 18027 1687 1 3 . 1 1 71 71 MET N N 71 119.518 119.518 119.050 0.468 18027 1688 1 3 . 1 1 71 71 MET HA H 71 3.881 3.881 4.243 -0.362 18027 1689 1 3 . 1 1 71 71 MET CA C 71 56.106 56.106 56.898 -0.792 18027 1690 1 3 . 1 1 71 71 MET CB C 71 29.595 29.595 32.570 -2.975 18027 1691 1 3 . 1 1 71 71 MET H H 71 7.120 7.120 7.486 -0.366 18027 1692 1 3 . 1 1 72 72 MET N N 72 116.280 116.280 118.559 -2.279 18027 1693 1 3 . 1 1 72 72 MET HA H 72 3.817 3.817 4.167 -0.350 18027 1694 1 3 . 1 1 72 72 MET CA C 72 55.111 55.111 57.294 -2.183 18027 1695 1 3 . 1 1 72 72 MET CB C 72 27.892 27.892 32.604 -4.712 18027 1696 1 3 . 1 1 72 72 MET H H 72 7.737 7.737 7.562 0.175 18027 1697 1 3 . 1 1 73 73 ALA N N 73 119.984 119.984 118.386 1.598 18027 1698 1 3 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.146 -0.308 18027 1699 1 3 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.214 -1.402 18027 1700 1 3 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.499 -3.296 18027 1701 1 3 . 1 1 73 73 ALA H H 73 8.322 8.322 7.692 0.630 18027 1702 1 3 . 1 1 74 74 ARG N N 74 116.354 116.354 119.126 -2.772 18027 1703 1 3 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.154 -0.316 18027 1704 1 3 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.799 -2.842 18027 1705 1 3 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.476 -5.221 18027 1706 1 3 . 1 1 74 74 ARG H H 74 7.264 7.264 7.553 -0.289 18027 1707 1 3 . 1 1 75 75 LYS N N 75 120.084 120.084 118.402 1.682 18027 1708 1 3 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.487 -0.538 18027 1709 1 3 . 1 1 75 75 LYS CA C 75 54.859 54.859 56.688 -1.829 18027 1710 1 3 . 1 1 75 75 LYS CB C 75 28.681 28.681 31.874 -3.193 18027 1711 1 3 . 1 1 75 75 LYS H H 75 7.756 7.756 8.097 -0.341 18027 1712 1 3 . 1 1 76 76 MET N N 76 117.139 117.139 117.921 -0.782 18027 1713 1 3 . 1 1 76 76 MET HA H 76 4.168 4.168 4.414 -0.246 18027 1714 1 3 . 1 1 76 76 MET CA C 76 54.704 54.704 54.663 0.041 18027 1715 1 3 . 1 1 76 76 MET CB C 76 30.052 30.052 32.171 -2.119 18027 1716 1 3 . 1 1 76 76 MET H H 76 7.985 7.985 7.864 0.121 18027 1717 1 3 . 1 1 77 77 LYS N N 77 116.614 116.614 116.188 0.426 18027 1718 1 3 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.429 -0.208 18027 1719 1 3 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.003 -2.819 18027 1720 1 3 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.280 -5.997 18027 1721 1 3 . 1 1 77 77 LYS H H 77 7.275 7.275 7.447 -0.172 18027 1722 1 3 . 1 1 78 78 ASP N N 78 123.187 123.187 120.037 3.150 18027 1723 1 3 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.748 -0.297 18027 1724 1 3 . 1 1 78 78 ASP CA C 78 51.732 51.732 55.223 -3.491 18027 1725 1 3 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.736 -3.345 18027 1726 1 3 . 1 1 78 78 ASP H H 78 8.181 8.181 7.760 0.421 18027 1727 1 3 . 1 1 79 79 THR N N 79 114.325 114.325 111.764 2.561 18027 1728 1 3 . 1 1 79 79 THR HA H 79 4.034 4.034 3.938 0.096 18027 1729 1 3 . 1 1 79 79 THR CA C 79 61.322 61.322 64.560 -3.238 18027 1730 1 3 . 1 1 79 79 THR CB C 79 66.147 66.147 66.765 -0.618 18027 1731 1 3 . 1 1 79 79 THR H H 79 8.377 8.377 8.368 0.009 18027 1732 1 3 . 1 1 80 80 ASP N N 80 120.844 120.844 119.384 1.460 18027 1733 1 3 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.840 -0.535 18027 1734 1 3 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.495 -2.823 18027 1735 1 3 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.934 -3.343 18027 1736 1 3 . 1 1 80 80 ASP H H 80 8.223 8.223 8.564 -0.341 18027 1737 1 3 . 1 1 81 81 SER N N 81 115.729 115.729 115.066 0.663 18027 1738 1 3 . 1 1 81 81 SER HA H 81 3.911 3.911 4.738 -0.827 18027 1739 1 3 . 1 1 81 81 SER CA C 81 57.939 57.939 59.833 -1.894 18027 1740 1 3 . 1 1 81 81 SER CB C 81 60.664 60.664 62.872 -2.208 18027 1741 1 3 . 1 1 81 81 SER H H 81 7.785 7.785 8.331 -0.546 18027 1742 1 3 . 1 1 82 82 GLU N N 82 121.960 121.960 122.853 -0.893 18027 1743 1 3 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.190 -0.294 18027 1744 1 3 . 1 1 82 82 GLU CA C 82 56.829 56.829 59.112 -2.284 18027 1745 1 3 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.414 -2.789 18027 1746 1 3 . 1 1 82 82 GLU H H 82 8.208 8.208 8.456 -0.248 18027 1747 1 3 . 1 1 83 83 GLU N N 83 118.040 118.040 117.069 0.971 18027 1748 1 3 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.200 -0.362 18027 1749 1 3 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.635 -2.690 18027 1750 1 3 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.243 -2.411 18027 1751 1 3 . 1 1 83 83 GLU H H 83 7.898 7.898 7.811 0.087 18027 1752 1 3 . 1 1 84 84 GLU N N 84 118.825 118.825 119.980 -1.155 18027 1753 1 3 . 1 1 84 84 GLU CA C 84 54.758 54.758 59.015 -4.257 18027 1754 1 3 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.619 1.233 18027 1755 1 3 . 1 1 84 84 GLU H H 84 8.154 8.154 7.917 0.237 18027 1756 1 3 . 1 1 85 85 ILE N N 85 119.310 119.310 119.641 -0.331 18027 1757 1 3 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.958 -0.191 18027 1758 1 3 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.754 -4.896 18027 1759 1 3 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.784 -2.135 18027 1760 1 3 . 1 1 85 85 ILE H H 85 7.793 7.793 7.516 0.277 18027 1761 1 3 . 1 1 86 86 ARG N N 86 120.640 120.640 120.174 0.466 18027 1762 1 3 . 1 1 86 86 ARG HA H 86 3.925 3.925 4.208 -0.283 18027 1763 1 3 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.804 -2.539 18027 1764 1 3 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.470 -2.616 18027 1765 1 3 . 1 1 86 86 ARG H H 86 8.177 8.177 7.940 0.237 18027 1766 1 3 . 1 1 87 87 GLU N N 87 119.448 119.448 118.904 0.544 18027 1767 1 3 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.274 -0.422 18027 1768 1 3 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.959 -2.316 18027 1769 1 3 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.355 -3.301 18027 1770 1 3 . 1 1 87 87 GLU H H 87 7.828 7.828 7.759 0.069 18027 1771 1 3 . 1 1 88 88 ALA N N 88 122.592 122.592 122.592 0.000 18027 1772 1 3 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.387 -0.359 18027 1773 1 3 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.881 -2.285 18027 1774 1 3 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.769 -4.137 18027 1775 1 3 . 1 1 88 88 ALA H H 88 8.283 8.283 7.583 0.700 18027 1776 1 3 . 1 1 89 89 PHE N N 89 119.245 119.245 119.317 -0.072 18027 1777 1 3 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.030 -0.916 18027 1778 1 3 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.839 -2.293 18027 1779 1 3 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.723 -3.388 18027 1780 1 3 . 1 1 89 89 PHE H H 89 8.423 8.423 8.917 -0.494 18027 1781 1 3 . 1 1 90 90 ARG N N 90 117.455 117.455 118.821 -1.366 18027 1782 1 3 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.255 -0.406 18027 1783 1 3 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.479 -2.166 18027 1784 1 3 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.046 -1.849 18027 1785 1 3 . 1 1 90 90 ARG H H 90 7.840 7.840 7.801 0.039 18027 1786 1 3 . 1 1 91 91 VAL N N 91 118.698 118.698 118.429 0.269 18027 1787 1 3 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.835 -0.583 18027 1788 1 3 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.612 -1.280 18027 1789 1 3 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.244 -3.134 18027 1790 1 3 . 1 1 91 91 VAL H H 91 7.262 7.262 7.396 -0.134 18027 1791 1 3 . 1 1 92 92 PHE N N 92 112.495 112.495 117.791 -5.296 18027 1792 1 3 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.292 -0.358 18027 1793 1 3 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.606 -3.425 18027 1794 1 3 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.828 -0.409 18027 1795 1 3 . 1 1 92 92 PHE H H 92 6.693 6.693 7.470 -0.777 18027 1796 1 3 . 1 1 93 93 ASP N N 93 117.214 117.214 118.451 -1.237 18027 1797 1 3 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.812 -0.378 18027 1798 1 3 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.432 -2.651 18027 1799 1 3 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.480 -3.031 18027 1800 1 3 . 1 1 93 93 ASP H H 93 7.954 7.954 8.021 -0.067 18027 1801 1 3 . 1 1 94 94 LYS N N 94 125.565 125.565 123.607 1.958 18027 1802 1 3 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.134 -0.355 18027 1803 1 3 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.286 -2.607 18027 1804 1 3 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.554 -2.959 18027 1805 1 3 . 1 1 94 94 LYS H H 94 7.671 7.671 8.071 -0.400 18027 1806 1 3 . 1 1 95 95 ASP N N 95 114.041 114.041 117.040 -2.999 18027 1807 1 3 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.740 -0.332 18027 1808 1 3 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.415 -3.202 18027 1809 1 3 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.783 -5.220 18027 1810 1 3 . 1 1 95 95 ASP H H 95 7.944 7.944 8.564 -0.620 18027 1811 1 3 . 1 1 96 96 GLY N N 96 108.849 108.849 108.492 0.357 18027 1812 1 3 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.941 -1.742 18027 1813 1 3 . 1 1 96 96 GLY H H 96 7.529 7.529 8.275 -0.746 18027 1814 1 3 . 1 1 97 97 ASN N N 97 119.410 119.410 119.187 0.223 18027 1815 1 3 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.605 -0.181 18027 1816 1 3 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.522 -3.839 18027 1817 1 3 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.719 -2.156 18027 1818 1 3 . 1 1 97 97 ASN H H 97 8.234 8.234 8.409 -0.175 18027 1819 1 3 . 1 1 98 98 GLY N N 98 112.073 112.073 105.956 6.117 18027 1820 1 3 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.279 -3.103 18027 1821 1 3 . 1 1 98 98 GLY H H 98 10.298 10.298 8.428 1.870 18027 1822 1 3 . 1 1 99 99 TYR N N 99 116.011 116.011 117.023 -1.012 18027 1823 1 3 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.079 -0.261 18027 1824 1 3 . 1 1 99 99 TYR CA C 99 53.681 53.681 55.442 -1.761 18027 1825 1 3 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.333 -0.458 18027 1826 1 3 . 1 1 99 99 TYR H H 99 7.497 7.497 7.195 0.302 18027 1827 1 3 . 1 1 100 100 ILE N N 100 126.793 126.793 120.854 5.939 18027 1828 1 3 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.137 0.286 18027 1829 1 3 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.540 -1.911 18027 1830 1 3 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.785 -3.037 18027 1831 1 3 . 1 1 100 100 ILE H H 100 9.833 9.833 8.498 1.335 18027 1832 1 3 . 1 1 101 101 SER N N 101 123.825 123.825 123.340 0.485 18027 1833 1 3 . 1 1 101 101 SER HA H 101 4.657 4.657 4.969 -0.312 18027 1834 1 3 . 1 1 101 101 SER CA C 101 53.060 53.060 57.014 -3.954 18027 1835 1 3 . 1 1 101 101 SER CB C 101 64.091 64.091 64.891 -0.800 18027 1836 1 3 . 1 1 101 101 SER H H 101 8.870 8.870 8.643 0.227 18027 1837 1 3 . 1 1 102 102 ALA N N 102 122.909 122.909 126.996 -4.087 18027 1838 1 3 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.088 -0.324 18027 1839 1 3 . 1 1 102 102 ALA CA C 102 53.050 53.050 54.965 -1.915 18027 1840 1 3 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.665 -3.690 18027 1841 1 3 . 1 1 102 102 ALA H H 102 9.209 9.209 8.558 0.651 18027 1842 1 3 . 1 1 103 103 ALA N N 103 118.692 118.692 120.512 -1.820 18027 1843 1 3 . 1 1 103 103 ALA HA H 103 3.874 3.874 3.978 -0.104 18027 1844 1 3 . 1 1 103 103 ALA CA C 103 52.485 52.485 55.055 -2.570 18027 1845 1 3 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.479 -3.276 18027 1846 1 3 . 1 1 103 103 ALA H H 103 8.146 8.146 7.900 0.246 18027 1847 1 3 . 1 1 104 104 GLU N N 104 120.098 120.098 118.879 1.219 18027 1848 1 3 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.313 -0.450 18027 1849 1 3 . 1 1 104 104 GLU CA C 104 56.575 56.575 59.166 -2.591 18027 1850 1 3 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.661 -4.292 18027 1851 1 3 . 1 1 104 104 GLU H H 104 7.832 7.832 8.144 -0.312 18027 1852 1 3 . 1 1 105 105 LEU N N 105 121.466 121.466 120.659 0.807 18027 1853 1 3 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.053 0.063 18027 1854 1 3 . 1 1 105 105 LEU CA C 105 55.696 55.696 58.092 -2.396 18027 1855 1 3 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.983 -3.021 18027 1856 1 3 . 1 1 105 105 LEU H H 105 8.300 8.300 7.586 0.714 18027 1857 1 3 . 1 1 106 106 ARG N N 106 118.978 118.978 118.579 0.399 18027 1858 1 3 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.966 -0.114 18027 1859 1 3 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.099 -1.665 18027 1860 1 3 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.648 -2.564 18027 1861 1 3 . 1 1 106 106 ARG H H 106 8.882 8.882 7.850 1.032 18027 1862 1 3 . 1 1 107 107 HIS N N 107 118.543 118.543 118.512 0.031 18027 1863 1 3 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.317 -0.117 18027 1864 1 3 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.655 -2.830 18027 1865 1 3 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.564 -2.824 18027 1866 1 3 . 1 1 107 107 HIS H H 107 7.991 7.991 7.638 0.353 18027 1867 1 3 . 1 1 108 108 VAL N N 108 118.687 118.687 118.787 -0.100 18027 1868 1 3 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.740 -0.648 18027 1869 1 3 . 1 1 108 108 VAL CA C 108 64.210 64.210 65.664 -1.454 18027 1870 1 3 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.179 -2.269 18027 1871 1 3 . 1 1 108 108 VAL H H 108 7.425 7.425 7.443 -0.018 18027 1872 1 3 . 1 1 109 109 MET N N 109 115.725 115.725 117.562 -1.837 18027 1873 1 3 . 1 1 109 109 MET HA H 109 3.944 3.944 4.249 -0.305 18027 1874 1 3 . 1 1 109 109 MET CA C 109 55.212 55.212 58.992 -3.780 18027 1875 1 3 . 1 1 109 109 MET CB C 109 27.425 27.425 32.981 -5.556 18027 1876 1 3 . 1 1 109 109 MET H H 109 7.972 7.972 7.594 0.378 18027 1877 1 3 . 1 1 110 110 THR N N 110 116.999 116.999 114.263 2.736 18027 1878 1 3 . 1 1 110 110 THR HA H 110 3.852 3.852 4.565 -0.713 18027 1879 1 3 . 1 1 110 110 THR CA C 110 63.918 63.918 64.170 -0.252 18027 1880 1 3 . 1 1 110 110 THR CB C 110 65.844 65.844 68.678 -2.834 18027 1881 1 3 . 1 1 110 110 THR H H 110 8.691 8.691 8.243 0.448 18027 1882 1 3 . 1 1 111 111 ASN N N 111 123.893 123.893 120.437 3.456 18027 1883 1 3 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.596 -0.355 18027 1884 1 3 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.112 -2.163 18027 1885 1 3 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.632 -3.667 18027 1886 1 3 . 1 1 111 111 ASN H H 111 7.911 7.911 7.924 -0.013 18027 1887 1 3 . 1 1 112 112 LEU N N 112 119.244 119.244 117.018 2.226 18027 1888 1 3 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.173 -0.101 18027 1889 1 3 . 1 1 112 112 LEU CA C 112 52.901 52.901 54.969 -2.068 18027 1890 1 3 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.358 -2.825 18027 1891 1 3 . 1 1 112 112 LEU H H 112 7.618 7.618 7.395 0.223 18027 1892 1 3 . 1 1 113 113 GLY N N 113 107.263 107.263 106.164 1.099 18027 1893 1 3 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.666 -2.229 18027 1894 1 3 . 1 1 113 113 GLY H H 113 7.743 7.743 7.471 0.272 18027 1895 1 3 . 1 1 114 114 GLU N N 114 120.073 120.073 119.916 0.157 18027 1896 1 3 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.555 -0.265 18027 1897 1 3 . 1 1 114 114 GLU CA C 114 51.526 51.526 55.101 -3.575 18027 1898 1 3 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.740 -5.201 18027 1899 1 3 . 1 1 114 114 GLU H H 114 7.857 7.857 7.766 0.091 18027 1900 1 3 . 1 1 115 115 LYS N N 115 124.142 124.142 124.980 -0.838 18027 1901 1 3 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.416 -0.196 18027 1902 1 3 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.850 -2.956 18027 1903 1 3 . 1 1 115 115 LYS CB C 115 29.481 29.481 32.930 -3.449 18027 1904 1 3 . 1 1 115 115 LYS H H 115 8.377 8.377 8.492 -0.115 18027 1905 1 3 . 1 1 116 116 LEU N N 116 125.240 125.240 125.958 -0.718 18027 1906 1 3 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.585 -0.113 18027 1907 1 3 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.760 -2.322 18027 1908 1 3 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.596 -3.921 18027 1909 1 3 . 1 1 116 116 LEU H H 116 8.002 8.002 8.525 -0.523 18027 1910 1 3 . 1 1 117 117 THR N N 117 113.520 113.520 112.847 0.673 18027 1911 1 3 . 1 1 117 117 THR CA C 117 57.922 57.922 60.487 -2.565 18027 1912 1 3 . 1 1 117 117 THR CB C 117 68.352 68.352 70.722 -2.370 18027 1913 1 3 . 1 1 117 117 THR H H 117 8.927 8.927 8.578 0.349 18027 1914 1 3 . 1 1 118 118 ASP N N 118 120.859 120.859 121.447 -0.588 18027 1915 1 3 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.388 -0.345 18027 1916 1 3 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.696 -2.531 18027 1917 1 3 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.861 -4.087 18027 1918 1 3 . 1 1 118 118 ASP H H 118 8.754 8.754 8.787 -0.033 18027 1919 1 3 . 1 1 119 119 GLU N N 119 119.112 119.112 118.680 0.432 18027 1920 1 3 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.089 -0.162 18027 1921 1 3 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.889 -1.698 18027 1922 1 3 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.478 -3.195 18027 1923 1 3 . 1 1 119 119 GLU H H 119 8.507 8.507 8.697 -0.190 18027 1924 1 3 . 1 1 120 120 GLU N N 120 120.059 120.059 118.263 1.796 18027 1925 1 3 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.156 -0.298 18027 1926 1 3 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.325 -1.866 18027 1927 1 3 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.792 -2.275 18027 1928 1 3 . 1 1 120 120 GLU H H 120 7.809 7.809 8.042 -0.233 18027 1929 1 3 . 1 1 121 121 VAL N N 121 120.512 120.512 121.142 -0.630 18027 1930 1 3 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.618 -0.146 18027 1931 1 3 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.599 -2.517 18027 1932 1 3 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.641 -3.074 18027 1933 1 3 . 1 1 121 121 VAL H H 121 7.898 7.898 7.321 0.577 18027 1934 1 3 . 1 1 122 122 ASP N N 122 119.857 119.857 118.979 0.878 18027 1935 1 3 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.313 -0.145 18027 1936 1 3 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.809 -2.902 18027 1937 1 3 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.784 -3.307 18027 1938 1 3 . 1 1 122 122 ASP H H 122 7.897 7.897 7.788 0.109 18027 1939 1 3 . 1 1 123 123 GLU N N 123 119.630 119.630 118.647 0.983 18027 1940 1 3 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.090 -0.252 18027 1941 1 3 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.730 -1.653 18027 1942 1 3 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.570 -3.401 18027 1943 1 3 . 1 1 123 123 GLU H H 123 7.963 7.963 7.578 0.385 18027 1944 1 3 . 1 1 124 124 MET N N 124 119.144 119.144 116.502 2.642 18027 1945 1 3 . 1 1 124 124 MET HA H 124 3.859 3.859 4.263 -0.404 18027 1946 1 3 . 1 1 124 124 MET CA C 124 56.508 56.508 57.481 -0.973 18027 1947 1 3 . 1 1 124 124 MET CB C 124 29.253 29.253 33.049 -3.796 18027 1948 1 3 . 1 1 124 124 MET H H 124 7.631 7.631 7.654 -0.023 18027 1949 1 3 . 1 1 125 125 ILE N N 125 117.557 117.557 120.751 -3.194 18027 1950 1 3 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.953 -0.669 18027 1951 1 3 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.092 -2.953 18027 1952 1 3 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.835 -3.785 18027 1953 1 3 . 1 1 125 125 ILE H H 125 7.669 7.669 7.679 -0.010 18027 1954 1 3 . 1 1 126 126 ARG N N 126 118.414 118.414 120.635 -2.221 18027 1955 1 3 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.072 -0.214 18027 1956 1 3 . 1 1 126 126 ARG CA C 126 56.802 56.802 59.006 -2.204 18027 1957 1 3 . 1 1 126 126 ARG CB C 126 27.425 27.425 30.141 -2.716 18027 1958 1 3 . 1 1 126 126 ARG H H 126 7.952 7.952 7.920 0.032 18027 1959 1 3 . 1 1 127 127 GLU N N 127 116.143 116.143 117.005 -0.862 18027 1960 1 3 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.237 -0.379 18027 1961 1 3 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.075 -1.860 18027 1962 1 3 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.206 -3.009 18027 1963 1 3 . 1 1 127 127 GLU H H 127 7.294 7.294 7.960 -0.666 18027 1964 1 3 . 1 1 128 128 ALA N N 128 116.994 116.994 120.404 -3.410 18027 1965 1 3 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.605 -0.152 18027 1966 1 3 . 1 1 128 128 ALA CA C 128 48.172 48.172 52.083 -3.910 18027 1967 1 3 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.813 -1.041 18027 1968 1 3 . 1 1 128 128 ALA H H 128 7.110 7.110 7.404 -0.294 18027 1969 1 3 . 1 1 129 129 ASP N N 129 117.846 117.846 120.932 -3.086 18027 1970 1 3 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.661 -0.219 18027 1971 1 3 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.885 -3.252 18027 1972 1 3 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.594 -2.089 18027 1973 1 3 . 1 1 129 129 ASP H H 129 7.508 7.508 8.459 -0.951 18027 1974 1 3 . 1 1 130 130 ILE N N 130 128.118 128.118 120.447 7.671 18027 1975 1 3 . 1 1 130 130 ILE HA H 130 3.750 3.750 3.996 -0.246 18027 1976 1 3 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.286 -2.703 18027 1977 1 3 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.139 -2.376 18027 1978 1 3 . 1 1 130 130 ILE H H 130 8.168 8.168 8.142 0.026 18027 1979 1 3 . 1 1 131 131 ASP N N 131 116.572 116.572 120.632 -4.060 18027 1980 1 3 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.565 -0.269 18027 1981 1 3 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.771 -2.649 18027 1982 1 3 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.968 -3.491 18027 1983 1 3 . 1 1 131 131 ASP H H 131 8.136 8.136 8.321 -0.185 18027 1984 1 3 . 1 1 132 132 GLY N N 132 108.411 108.411 108.828 -0.417 18027 1985 1 3 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.246 -1.739 18027 1986 1 3 . 1 1 132 132 GLY H H 132 7.460 7.460 8.423 -0.963 18027 1987 1 3 . 1 1 133 133 ASP N N 133 120.424 120.424 118.723 1.701 18027 1988 1 3 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.491 -0.195 18027 1989 1 3 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.301 -2.448 18027 1990 1 3 . 1 1 133 133 ASP H H 133 8.177 8.177 7.996 0.181 18027 1991 1 3 . 1 1 134 134 GLY N N 134 112.396 112.396 107.193 5.203 18027 1992 1 3 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.130 -2.077 18027 1993 1 3 . 1 1 134 134 GLY H H 134 10.043 10.043 7.918 2.125 18027 1994 1 3 . 1 1 135 135 GLN N N 135 115.588 115.588 118.972 -3.384 18027 1995 1 3 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.169 -0.365 18027 1996 1 3 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.730 -3.316 18027 1997 1 3 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.197 -2.916 18027 1998 1 3 . 1 1 135 135 GLN H H 135 7.866 7.866 7.932 -0.066 18027 1999 1 3 . 1 1 136 136 VAL N N 136 124.910 124.910 121.068 3.842 18027 2000 1 3 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.367 0.632 18027 2001 1 3 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.362 -1.655 18027 2002 1 3 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.074 -1.994 18027 2003 1 3 . 1 1 136 136 VAL H H 136 8.856 8.856 8.656 0.200 18027 2004 1 3 . 1 1 137 137 ASN N N 137 129.009 129.009 124.557 4.452 18027 2005 1 3 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.283 -0.110 18027 2006 1 3 . 1 1 137 137 ASN CA C 137 48.083 48.083 52.092 -4.009 18027 2007 1 3 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.360 -4.726 18027 2008 1 3 . 1 1 137 137 ASN H H 137 9.390 9.390 8.655 0.735 18027 2009 1 3 . 1 1 138 138 TYR N N 138 118.471 118.471 120.248 -1.777 18027 2010 1 3 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.448 0.030 18027 2011 1 3 . 1 1 138 138 TYR CA C 138 59.799 59.799 62.674 -2.875 18027 2012 1 3 . 1 1 138 138 TYR CB C 138 35.535 35.535 38.773 -3.238 18027 2013 1 3 . 1 1 138 138 TYR H H 138 8.075 8.075 9.229 -1.154 18027 2014 1 3 . 1 1 139 139 GLU N N 139 118.535 118.535 118.580 -0.045 18027 2015 1 3 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.162 -0.324 18027 2016 1 3 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.483 -1.951 18027 2017 1 3 . 1 1 139 139 GLU CB C 139 25.940 25.940 29.329 -3.389 18027 2018 1 3 . 1 1 139 139 GLU H H 139 7.925 7.925 8.237 -0.312 18027 2019 1 3 . 1 1 140 140 GLU N N 140 119.583 119.583 119.480 0.103 18027 2020 1 3 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.228 -0.379 18027 2021 1 3 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.340 -2.258 18027 2022 1 3 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.745 -3.234 18027 2023 1 3 . 1 1 140 140 GLU H H 140 8.664 8.664 8.514 0.150 18027 2024 1 3 . 1 1 141 141 PHE N N 141 123.810 123.810 120.778 3.032 18027 2025 1 3 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.246 -0.525 18027 2026 1 3 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.121 -2.030 18027 2027 1 3 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.329 -1.624 18027 2028 1 3 . 1 1 141 141 PHE H H 141 8.395 8.395 8.304 0.091 18027 2029 1 3 . 1 1 142 142 VAL N N 142 118.551 118.551 118.941 -0.390 18027 2030 1 3 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.441 -0.349 18027 2031 1 3 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.298 -2.116 18027 2032 1 3 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.735 -2.939 18027 2033 1 3 . 1 1 142 142 VAL H H 142 8.484 8.484 8.370 0.114 18027 2034 1 3 . 1 1 143 143 GLN N N 143 119.672 119.672 116.541 3.131 18027 2035 1 3 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.064 -0.226 18027 2036 1 3 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.073 -1.800 18027 2037 1 3 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.301 -3.389 18027 2038 1 3 . 1 1 143 143 GLN H H 143 7.803 7.803 7.732 0.071 18027 2039 1 3 . 1 1 144 144 MET N N 144 116.710 116.710 115.933 0.777 18027 2040 1 3 . 1 1 144 144 MET HA H 144 3.943 3.943 4.199 -0.256 18027 2041 1 3 . 1 1 144 144 MET CA C 144 55.387 55.387 57.194 -1.807 18027 2042 1 3 . 1 1 144 144 MET CB C 144 29.709 29.709 32.111 -2.402 18027 2043 1 3 . 1 1 144 144 MET H H 144 7.322 7.322 7.404 -0.082 18027 2044 1 3 . 1 1 145 145 MET N N 145 114.879 114.879 114.114 0.765 18027 2045 1 3 . 1 1 145 145 MET HA H 145 4.062 4.062 4.381 -0.319 18027 2046 1 3 . 1 1 145 145 MET CA C 145 53.291 53.291 56.366 -3.075 18027 2047 1 3 . 1 1 145 145 MET CB C 145 29.253 29.253 33.340 -4.087 18027 2048 1 3 . 1 1 145 145 MET H H 145 7.467 7.467 7.543 -0.076 18027 2049 1 3 . 1 1 146 146 THR N N 146 108.698 108.698 109.651 -0.953 18027 2050 1 3 . 1 1 146 146 THR HA H 146 4.136 4.136 4.291 -0.155 18027 2051 1 3 . 1 1 146 146 THR CA C 146 59.201 59.201 61.534 -2.333 18027 2052 1 3 . 1 1 146 146 THR CB C 146 67.404 67.404 69.260 -1.856 18027 2053 1 3 . 1 1 146 146 THR H H 146 7.551 7.551 7.615 -0.064 18027 2054 1 3 . 1 1 147 147 ALA N N 147 126.669 126.669 125.116 1.553 18027 2055 1 3 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.500 -0.355 18027 2056 1 3 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.809 -1.736 18027 2057 1 3 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.273 -2.929 18027 2058 1 3 . 1 1 147 147 ALA H H 147 7.596 7.596 7.346 0.250 18027 2059 1 4 . 1 1 2 2 ASP N N 2 120.442 120.442 119.869 0.573 18027 2060 1 4 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.682 -0.229 18027 2061 1 4 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.649 -2.720 18027 2062 1 4 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.941 -3.436 18027 2063 1 4 . 1 1 2 2 ASP H H 2 8.521 8.521 8.692 -0.171 18027 2064 1 4 . 1 1 3 3 GLN N N 3 119.769 119.769 120.575 -0.806 18027 2065 1 4 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.562 -0.344 18027 2066 1 4 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.151 -2.465 18027 2067 1 4 . 1 1 3 3 GLN H H 3 8.199 8.199 7.944 0.255 18027 2068 1 4 . 1 1 4 4 LEU N N 4 120.939 120.939 124.798 -3.859 18027 2069 1 4 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.634 -0.151 18027 2070 1 4 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.462 -2.878 18027 2071 1 4 . 1 1 4 4 LEU CB C 4 40.561 40.561 42.671 -2.110 18027 2072 1 4 . 1 1 4 4 LEU H H 4 7.510 7.510 8.412 -0.902 18027 2073 1 4 . 1 1 5 5 THR N N 5 112.777 112.777 115.632 -2.855 18027 2074 1 4 . 1 1 5 5 THR HA H 5 4.253 4.253 4.395 -0.142 18027 2075 1 4 . 1 1 5 5 THR CA C 5 57.873 57.873 61.836 -3.963 18027 2076 1 4 . 1 1 5 5 THR CB C 5 68.203 68.203 69.690 -1.487 18027 2077 1 4 . 1 1 5 5 THR H H 5 8.576 8.576 8.249 0.327 18027 2078 1 4 . 1 1 6 6 GLU N N 6 120.254 120.254 120.618 -0.364 18027 2079 1 4 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.103 -0.309 18027 2080 1 4 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.068 -1.423 18027 2081 1 4 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.278 -2.992 18027 2082 1 4 . 1 1 6 6 GLU H H 6 8.874 8.874 8.713 0.161 18027 2083 1 4 . 1 1 7 7 GLU N N 7 119.637 119.637 119.087 0.550 18027 2084 1 4 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.183 -0.287 18027 2085 1 4 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.898 -1.722 18027 2086 1 4 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.530 -3.476 18027 2087 1 4 . 1 1 7 7 GLU H H 7 8.536 8.536 8.364 0.172 18027 2088 1 4 . 1 1 8 8 GLN N N 8 120.086 120.086 119.375 0.711 18027 2089 1 4 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.290 -0.452 18027 2090 1 4 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.212 -1.801 18027 2091 1 4 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.126 -2.501 18027 2092 1 4 . 1 1 8 8 GLN H H 8 7.499 7.499 7.842 -0.343 18027 2093 1 4 . 1 1 9 9 ILE N N 9 120.295 120.295 120.278 0.017 18027 2094 1 4 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.671 -0.004 18027 2095 1 4 . 1 1 9 9 ILE CA C 9 64.046 64.046 65.396 -1.350 18027 2096 1 4 . 1 1 9 9 ILE H H 9 8.405 8.405 8.661 -0.256 18027 2097 1 4 . 1 1 10 10 ALA N N 10 121.503 121.503 120.621 0.882 18027 2098 1 4 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.117 -0.206 18027 2099 1 4 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.356 -2.699 18027 2100 1 4 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.185 -3.210 18027 2101 1 4 . 1 1 10 10 ALA H H 10 7.949 7.949 7.973 -0.024 18027 2102 1 4 . 1 1 11 11 GLU N N 11 118.352 118.352 119.269 -0.917 18027 2103 1 4 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.130 -0.292 18027 2104 1 4 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.864 -2.191 18027 2105 1 4 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.582 -2.614 18027 2106 1 4 . 1 1 11 11 GLU H H 11 7.700 7.700 7.817 -0.117 18027 2107 1 4 . 1 1 12 12 PHE N N 12 117.277 117.277 120.611 -3.334 18027 2108 1 4 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.198 0.279 18027 2109 1 4 . 1 1 12 12 PHE CA C 12 59.655 59.655 62.689 -3.034 18027 2110 1 4 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.383 -3.848 18027 2111 1 4 . 1 1 12 12 PHE H H 12 8.211 8.211 8.617 -0.406 18027 2112 1 4 . 1 1 13 13 LYS N N 13 122.928 122.928 119.111 3.817 18027 2113 1 4 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.974 -0.049 18027 2114 1 4 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.422 -2.268 18027 2115 1 4 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.206 -6.037 18027 2116 1 4 . 1 1 13 13 LYS H H 13 8.925 8.925 8.113 0.812 18027 2117 1 4 . 1 1 14 14 GLU N N 14 119.706 119.706 117.821 1.885 18027 2118 1 4 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.184 -0.326 18027 2119 1 4 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.674 -2.338 18027 2120 1 4 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.889 -3.606 18027 2121 1 4 . 1 1 14 14 GLU H H 14 7.824 7.824 7.758 0.066 18027 2122 1 4 . 1 1 15 15 ALA N N 15 123.880 123.880 122.472 1.408 18027 2123 1 4 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.225 -0.358 18027 2124 1 4 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.261 -1.425 18027 2125 1 4 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.278 -3.075 18027 2126 1 4 . 1 1 15 15 ALA H H 15 8.124 8.124 8.157 -0.033 18027 2127 1 4 . 1 1 16 16 PHE N N 16 118.972 118.972 119.149 -0.177 18027 2128 1 4 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.131 -0.999 18027 2129 1 4 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.315 -0.332 18027 2130 1 4 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.490 -3.041 18027 2131 1 4 . 1 1 16 16 PHE H H 16 8.446 8.446 8.081 0.365 18027 2132 1 4 . 1 1 17 17 SER N N 17 114.737 114.737 114.235 0.502 18027 2133 1 4 . 1 1 17 17 SER HA H 17 3.902 3.902 4.304 -0.402 18027 2134 1 4 . 1 1 17 17 SER CA C 17 58.999 58.999 60.143 -1.144 18027 2135 1 4 . 1 1 17 17 SER CB C 17 60.436 60.436 62.715 -2.279 18027 2136 1 4 . 1 1 17 17 SER H H 17 7.874 7.874 7.709 0.165 18027 2137 1 4 . 1 1 18 18 LEU N N 18 120.225 120.225 121.051 -0.826 18027 2138 1 4 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.059 -0.274 18027 2139 1 4 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.205 -2.476 18027 2140 1 4 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.275 -4.113 18027 2141 1 4 . 1 1 18 18 LEU H H 18 7.183 7.183 7.283 -0.100 18027 2142 1 4 . 1 1 19 19 PHE N N 19 112.357 112.357 113.611 -1.254 18027 2143 1 4 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.708 -2.284 18027 2144 1 4 . 1 1 19 19 PHE H H 19 6.977 6.977 7.482 -0.505 18027 2145 1 4 . 1 1 20 20 ASP N N 20 117.274 117.274 120.779 -3.505 18027 2146 1 4 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.847 -0.415 18027 2147 1 4 . 1 1 20 20 ASP CA C 20 49.512 49.512 53.052 -3.540 18027 2148 1 4 . 1 1 20 20 ASP CB C 20 36.677 36.677 39.883 -3.206 18027 2149 1 4 . 1 1 20 20 ASP H H 20 7.446 7.446 7.596 -0.150 18027 2150 1 4 . 1 1 21 21 LYS N N 21 124.296 124.296 120.907 3.389 18027 2151 1 4 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.178 -0.340 18027 2152 1 4 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.784 -2.105 18027 2153 1 4 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.381 -2.786 18027 2154 1 4 . 1 1 21 21 LYS H H 21 7.520 7.520 8.024 -0.504 18027 2155 1 4 . 1 1 22 22 ASP N N 22 113.761 113.761 119.289 -5.528 18027 2156 1 4 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.631 -0.197 18027 2157 1 4 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.540 -4.479 18027 2158 1 4 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.447 -4.884 18027 2159 1 4 . 1 1 22 22 ASP H H 22 7.819 7.819 7.996 -0.177 18027 2160 1 4 . 1 1 23 23 GLY N N 23 108.838 108.838 107.044 1.794 18027 2161 1 4 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.562 -1.257 18027 2162 1 4 . 1 1 23 23 GLY H H 23 7.497 7.497 8.885 -1.388 18027 2163 1 4 . 1 1 24 24 ASP N N 24 120.790 120.790 120.497 0.293 18027 2164 1 4 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.765 -0.415 18027 2165 1 4 . 1 1 24 24 ASP CA C 24 50.853 50.853 53.930 -3.077 18027 2166 1 4 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.521 -4.158 18027 2167 1 4 . 1 1 24 24 ASP H H 24 8.312 8.312 8.179 0.133 18027 2168 1 4 . 1 1 25 25 GLY N N 25 112.499 112.499 109.428 3.071 18027 2169 1 4 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.156 -2.736 18027 2170 1 4 . 1 1 25 25 GLY H H 25 10.352 10.352 8.187 2.165 18027 2171 1 4 . 1 1 26 26 THR N N 26 111.781 111.781 111.463 0.318 18027 2172 1 4 . 1 1 26 26 THR HA H 26 5.316 5.316 5.787 -0.471 18027 2173 1 4 . 1 1 26 26 THR CA C 26 56.878 56.878 60.419 -3.542 18027 2174 1 4 . 1 1 26 26 THR CB C 26 70.031 70.031 72.619 -2.588 18027 2175 1 4 . 1 1 26 26 THR H H 26 8.018 8.018 9.052 -1.034 18027 2176 1 4 . 1 1 27 27 ILE N N 27 126.162 126.162 124.269 1.893 18027 2177 1 4 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.597 0.061 18027 2178 1 4 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.248 -1.771 18027 2179 1 4 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.472 -1.900 18027 2180 1 4 . 1 1 27 27 ILE H H 27 9.769 9.769 8.700 1.069 18027 2181 1 4 . 1 1 28 28 THR N N 28 116.311 116.311 118.381 -2.070 18027 2182 1 4 . 1 1 28 28 THR HA H 28 4.669 4.669 5.156 -0.487 18027 2183 1 4 . 1 1 28 28 THR CA C 28 56.878 56.878 61.153 -4.275 18027 2184 1 4 . 1 1 28 28 THR CB C 28 69.688 69.688 70.462 -0.774 18027 2185 1 4 . 1 1 28 28 THR H H 28 8.302 8.302 8.182 0.120 18027 2186 1 4 . 1 1 29 29 THR N N 29 112.465 112.465 113.882 -1.417 18027 2187 1 4 . 1 1 29 29 THR HA H 29 3.633 3.633 4.022 -0.389 18027 2188 1 4 . 1 1 29 29 THR CA C 29 63.820 63.820 66.014 -2.194 18027 2189 1 4 . 1 1 29 29 THR CB C 29 65.160 65.160 68.493 -3.333 18027 2190 1 4 . 1 1 29 29 THR H H 29 9.078 9.078 8.539 0.539 18027 2191 1 4 . 1 1 30 30 LYS N N 30 120.792 120.792 120.901 -0.109 18027 2192 1 4 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.163 -0.208 18027 2193 1 4 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.860 -2.291 18027 2194 1 4 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.523 -1.928 18027 2195 1 4 . 1 1 30 30 LYS H H 30 7.467 7.467 8.287 -0.820 18027 2196 1 4 . 1 1 31 31 GLU N N 31 121.359 121.359 120.664 0.695 18027 2197 1 4 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.102 -0.196 18027 2198 1 4 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.905 -2.228 18027 2199 1 4 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.480 -2.398 18027 2200 1 4 . 1 1 31 31 GLU H H 31 7.574 7.574 7.713 -0.139 18027 2201 1 4 . 1 1 32 32 LEU N N 32 120.087 120.087 120.550 -0.463 18027 2202 1 4 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.406 -0.349 18027 2203 1 4 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.794 -2.222 18027 2204 1 4 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.170 -2.318 18027 2205 1 4 . 1 1 32 32 LEU H H 32 8.712 8.712 7.791 0.921 18027 2206 1 4 . 1 1 33 33 GLY N N 33 105.634 105.634 105.066 0.568 18027 2207 1 4 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.140 -1.503 18027 2208 1 4 . 1 1 33 33 GLY H H 33 8.696 8.696 7.727 0.969 18027 2209 1 4 . 1 1 34 34 THR N N 34 117.265 117.265 118.999 -1.734 18027 2210 1 4 . 1 1 34 34 THR HA H 34 3.810 3.810 3.904 -0.094 18027 2211 1 4 . 1 1 34 34 THR CA C 34 64.259 64.259 66.778 -2.519 18027 2212 1 4 . 1 1 34 34 THR CB C 34 66.033 66.033 68.660 -2.627 18027 2213 1 4 . 1 1 34 34 THR H H 34 7.785 7.785 7.800 -0.015 18027 2214 1 4 . 1 1 35 35 VAL N N 35 121.498 121.498 120.674 0.824 18027 2215 1 4 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.708 -0.307 18027 2216 1 4 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.552 -1.244 18027 2217 1 4 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.624 -2.828 18027 2218 1 4 . 1 1 35 35 VAL H H 35 7.268 7.268 7.310 -0.042 18027 2219 1 4 . 1 1 36 36 MET N N 36 117.302 117.302 117.894 -0.592 18027 2220 1 4 . 1 1 36 36 MET HA H 36 3.842 3.842 4.270 -0.428 18027 2221 1 4 . 1 1 36 36 MET CA C 36 56.606 56.606 57.279 -0.673 18027 2222 1 4 . 1 1 36 36 MET CB C 36 28.453 28.453 31.527 -3.074 18027 2223 1 4 . 1 1 36 36 MET H H 36 8.487 8.487 7.562 0.925 18027 2224 1 4 . 1 1 37 37 ARG N N 37 118.262 118.262 118.784 -0.522 18027 2225 1 4 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.285 0.372 18027 2226 1 4 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.913 -2.433 18027 2227 1 4 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.241 -3.501 18027 2228 1 4 . 1 1 37 37 ARG H H 37 8.330 8.330 7.830 0.500 18027 2229 1 4 . 1 1 38 38 SER N N 38 117.873 117.873 112.491 5.382 18027 2230 1 4 . 1 1 38 38 SER H H 38 7.815 7.815 7.415 0.400 18027 2231 1 4 . 1 1 39 39 LEU N N 39 117.970 117.970 118.467 -0.497 18027 2232 1 4 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.387 -0.315 18027 2233 1 4 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.017 -3.579 18027 2234 1 4 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.072 -3.910 18027 2235 1 4 . 1 1 39 39 LEU H H 39 7.326 7.326 7.828 -0.502 18027 2236 1 4 . 1 1 40 40 GLY N N 40 106.755 106.755 105.960 0.795 18027 2237 1 4 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.779 -2.115 18027 2238 1 4 . 1 1 40 40 GLY H H 40 7.636 7.636 7.697 -0.061 18027 2239 1 4 . 1 1 41 41 GLN N N 41 118.316 118.316 119.787 -1.471 18027 2240 1 4 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.575 -0.290 18027 2241 1 4 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.274 -3.421 18027 2242 1 4 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.876 -4.565 18027 2243 1 4 . 1 1 41 41 GLN H H 41 7.827 7.827 8.417 -0.590 18027 2244 1 4 . 1 1 42 42 ASN N N 42 115.866 115.866 122.200 -6.334 18027 2245 1 4 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.163 -0.150 18027 2246 1 4 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.349 -2.788 18027 2247 1 4 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.916 -3.598 18027 2248 1 4 . 1 1 42 42 ASN H H 42 8.557 8.557 8.687 -0.130 18027 2249 1 4 . 1 1 44 44 THR N N 44 113.035 113.035 113.478 -0.443 18027 2250 1 4 . 1 1 44 44 THR HA H 44 4.296 4.296 4.591 -0.295 18027 2251 1 4 . 1 1 44 44 THR CA C 44 57.922 57.922 60.184 -2.261 18027 2252 1 4 . 1 1 44 44 THR CB C 44 68.317 68.317 71.100 -2.783 18027 2253 1 4 . 1 1 44 44 THR H H 44 8.694 8.694 8.108 0.586 18027 2254 1 4 . 1 1 45 45 GLU N N 45 120.283 120.283 121.071 -0.788 18027 2255 1 4 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.004 -0.108 18027 2256 1 4 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.500 -2.144 18027 2257 1 4 . 1 1 45 45 GLU CB C 45 25.716 25.716 28.941 -3.225 18027 2258 1 4 . 1 1 45 45 GLU H H 45 8.687 8.687 8.910 -0.223 18027 2259 1 4 . 1 1 46 46 ALA N N 46 120.685 120.685 120.904 -0.219 18027 2260 1 4 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.169 -0.299 18027 2261 1 4 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.567 -2.251 18027 2262 1 4 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.257 -3.168 18027 2263 1 4 . 1 1 46 46 ALA H H 46 8.153 8.153 8.244 -0.091 18027 2264 1 4 . 1 1 47 47 GLU N N 47 118.546 118.546 119.254 -0.708 18027 2265 1 4 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.144 -0.285 18027 2266 1 4 . 1 1 47 47 GLU CA C 47 56.508 56.508 59.317 -2.809 18027 2267 1 4 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.366 -2.626 18027 2268 1 4 . 1 1 47 47 GLU H H 47 7.554 7.554 7.532 0.022 18027 2269 1 4 . 1 1 48 48 LEU N N 48 120.085 120.085 119.930 0.155 18027 2270 1 4 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.092 -0.152 18027 2271 1 4 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.865 -2.497 18027 2272 1 4 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.902 -2.483 18027 2273 1 4 . 1 1 48 48 LEU H H 48 8.247 8.247 8.342 -0.095 18027 2274 1 4 . 1 1 49 49 GLN N N 49 118.119 118.119 117.226 0.893 18027 2275 1 4 . 1 1 49 49 GLN HA H 49 3.913 3.913 3.993 -0.080 18027 2276 1 4 . 1 1 49 49 GLN CA C 49 56.703 56.703 59.062 -2.359 18027 2277 1 4 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.441 -2.044 18027 2278 1 4 . 1 1 49 49 GLN H H 49 7.891 7.891 7.953 -0.062 18027 2279 1 4 . 1 1 50 50 ASP N N 50 119.263 119.263 120.694 -1.431 18027 2280 1 4 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.455 -0.276 18027 2281 1 4 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.841 -1.965 18027 2282 1 4 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.984 -3.736 18027 2283 1 4 . 1 1 50 50 ASP H H 50 7.803 7.803 7.634 0.169 18027 2284 1 4 . 1 1 51 51 MET N N 51 120.178 120.178 117.999 2.179 18027 2285 1 4 . 1 1 51 51 MET HA H 51 3.966 3.966 4.216 -0.250 18027 2286 1 4 . 1 1 51 51 MET CA C 51 57.074 57.074 58.484 -1.410 18027 2287 1 4 . 1 1 51 51 MET CB C 51 29.975 29.975 33.112 -3.138 18027 2288 1 4 . 1 1 51 51 MET H H 51 7.831 7.831 7.441 0.390 18027 2289 1 4 . 1 1 52 52 ILE N N 52 116.856 116.856 120.368 -3.512 18027 2290 1 4 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.734 -0.386 18027 2291 1 4 . 1 1 52 52 ILE CA C 52 61.675 61.675 63.899 -2.224 18027 2292 1 4 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.632 -3.810 18027 2293 1 4 . 1 1 52 52 ILE H H 52 7.703 7.703 7.773 -0.070 18027 2294 1 4 . 1 1 53 53 ASN N N 53 117.417 117.417 115.118 2.299 18027 2295 1 4 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.483 -0.230 18027 2296 1 4 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.717 -2.676 18027 2297 1 4 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.279 -3.201 18027 2298 1 4 . 1 1 53 53 ASN H H 53 8.187 8.187 7.961 0.226 18027 2299 1 4 . 1 1 54 54 GLU N N 54 116.996 116.996 118.477 -1.481 18027 2300 1 4 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.223 -0.364 18027 2301 1 4 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.181 -2.307 18027 2302 1 4 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.370 -3.973 18027 2303 1 4 . 1 1 54 54 GLU H H 54 7.391 7.391 7.606 -0.215 18027 2304 1 4 . 1 1 55 55 VAL N N 55 114.596 114.596 114.922 -0.326 18027 2305 1 4 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.069 -0.082 18027 2306 1 4 . 1 1 55 55 VAL CA C 55 58.945 58.945 63.011 -4.066 18027 2307 1 4 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.860 -2.122 18027 2308 1 4 . 1 1 55 55 VAL H H 55 7.151 7.151 7.540 -0.389 18027 2309 1 4 . 1 1 56 56 ASP N N 56 119.670 119.670 122.659 -2.989 18027 2310 1 4 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.425 -0.108 18027 2311 1 4 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.328 -3.972 18027 2312 1 4 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.241 -3.650 18027 2313 1 4 . 1 1 56 56 ASP H H 56 7.913 7.913 8.241 -0.328 18027 2314 1 4 . 1 1 57 57 ALA N N 57 131.491 131.491 129.228 2.263 18027 2315 1 4 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.196 -0.095 18027 2316 1 4 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.834 -2.651 18027 2317 1 4 . 1 1 57 57 ALA H H 57 8.126 8.126 8.807 -0.681 18027 2318 1 4 . 1 1 58 58 ASP N N 58 114.255 114.255 117.797 -3.542 18027 2319 1 4 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.652 -0.218 18027 2320 1 4 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.684 -4.724 18027 2321 1 4 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.435 -4.872 18027 2322 1 4 . 1 1 58 58 ASP H H 58 8.130 8.130 8.224 -0.094 18027 2323 1 4 . 1 1 59 59 GLY N N 59 108.987 108.987 107.282 1.705 18027 2324 1 4 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.321 -1.025 18027 2325 1 4 . 1 1 59 59 GLY H H 59 7.504 7.504 8.320 -0.816 18027 2326 1 4 . 1 1 60 60 ASN N N 60 118.770 118.770 118.879 -0.109 18027 2327 1 4 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.878 -0.449 18027 2328 1 4 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.645 -2.786 18027 2329 1 4 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.352 -5.845 18027 2330 1 4 . 1 1 60 60 ASN H H 60 8.095 8.095 8.795 -0.700 18027 2331 1 4 . 1 1 61 61 GLY N N 61 112.773 112.773 109.047 3.726 18027 2332 1 4 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.284 -2.572 18027 2333 1 4 . 1 1 61 61 GLY H H 61 10.280 10.280 8.838 1.442 18027 2334 1 4 . 1 1 62 62 THR N N 62 108.117 108.117 110.731 -2.614 18027 2335 1 4 . 1 1 62 62 THR HA H 62 4.672 4.672 5.069 -0.397 18027 2336 1 4 . 1 1 62 62 THR CA C 62 56.878 56.878 59.731 -2.853 18027 2337 1 4 . 1 1 62 62 THR CB C 62 69.688 69.688 71.762 -2.074 18027 2338 1 4 . 1 1 62 62 THR H H 62 7.475 7.475 7.697 -0.222 18027 2339 1 4 . 1 1 63 63 ILE N N 63 122.642 122.642 122.896 -0.254 18027 2340 1 4 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.423 0.373 18027 2341 1 4 . 1 1 63 63 ILE CA C 63 57.812 57.812 59.958 -2.146 18027 2342 1 4 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.483 -4.120 18027 2343 1 4 . 1 1 63 63 ILE H H 63 8.449 8.449 8.421 0.028 18027 2344 1 4 . 1 1 64 64 ASP N N 64 128.633 128.633 125.805 2.828 18027 2345 1 4 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.287 0.029 18027 2346 1 4 . 1 1 64 64 ASP CA C 64 49.280 49.280 52.969 -3.689 18027 2347 1 4 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.813 -4.052 18027 2348 1 4 . 1 1 64 64 ASP H H 64 9.011 9.011 8.454 0.557 18027 2349 1 4 . 1 1 65 65 PHE N N 65 118.892 118.892 116.568 2.324 18027 2350 1 4 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.320 -0.553 18027 2351 1 4 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.569 -0.356 18027 2352 1 4 . 1 1 65 65 PHE H H 65 8.766 8.766 8.154 0.612 18027 2353 1 4 . 1 1 67 67 GLU N N 67 118.675 118.675 115.367 3.308 18027 2354 1 4 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.287 -0.450 18027 2355 1 4 . 1 1 67 67 GLU CA C 67 56.605 56.605 56.927 -0.322 18027 2356 1 4 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.632 -2.235 18027 2357 1 4 . 1 1 67 67 GLU H H 67 7.487 7.487 8.679 -1.192 18027 2358 1 4 . 1 1 68 68 PHE N N 68 123.182 123.182 120.879 2.303 18027 2359 1 4 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.291 -0.623 18027 2360 1 4 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.945 -3.516 18027 2361 1 4 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.519 -1.928 18027 2362 1 4 . 1 1 68 68 PHE H H 68 8.066 8.066 7.510 0.556 18027 2363 1 4 . 1 1 69 69 LEU N N 69 119.530 119.530 112.810 6.720 18027 2364 1 4 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.239 -0.284 18027 2365 1 4 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.175 -1.401 18027 2366 1 4 . 1 1 69 69 LEU CB C 69 39.419 39.419 39.735 -0.316 18027 2367 1 4 . 1 1 69 69 LEU H H 69 8.672 8.672 8.351 0.321 18027 2368 1 4 . 1 1 70 70 THR N N 70 113.765 113.765 115.215 -1.450 18027 2369 1 4 . 1 1 70 70 THR HA H 70 3.806 3.806 4.028 -0.222 18027 2370 1 4 . 1 1 70 70 THR CA C 70 63.861 63.861 66.437 -2.576 18027 2371 1 4 . 1 1 70 70 THR CB C 70 66.147 66.147 68.606 -2.459 18027 2372 1 4 . 1 1 70 70 THR H H 70 7.909 7.909 7.203 0.706 18027 2373 1 4 . 1 1 71 71 MET N N 71 119.518 119.518 119.919 -0.401 18027 2374 1 4 . 1 1 71 71 MET HA H 71 3.881 3.881 4.241 -0.360 18027 2375 1 4 . 1 1 71 71 MET CA C 71 56.106 56.106 56.458 -0.352 18027 2376 1 4 . 1 1 71 71 MET CB C 71 29.595 29.595 32.066 -2.471 18027 2377 1 4 . 1 1 71 71 MET H H 71 7.120 7.120 7.475 -0.355 18027 2378 1 4 . 1 1 72 72 MET N N 72 116.280 116.280 118.895 -2.615 18027 2379 1 4 . 1 1 72 72 MET HA H 72 3.817 3.817 4.169 -0.352 18027 2380 1 4 . 1 1 72 72 MET CA C 72 55.111 55.111 58.993 -3.882 18027 2381 1 4 . 1 1 72 72 MET CB C 72 27.892 27.892 32.834 -4.942 18027 2382 1 4 . 1 1 72 72 MET H H 72 7.737 7.737 7.784 -0.047 18027 2383 1 4 . 1 1 73 73 ALA N N 73 119.984 119.984 119.124 0.860 18027 2384 1 4 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.167 -0.329 18027 2385 1 4 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.946 -2.134 18027 2386 1 4 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.391 -3.188 18027 2387 1 4 . 1 1 73 73 ALA H H 73 8.322 8.322 7.679 0.643 18027 2388 1 4 . 1 1 74 74 ARG N N 74 116.354 116.354 118.663 -2.309 18027 2389 1 4 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.134 -0.296 18027 2390 1 4 . 1 1 74 74 ARG CA C 74 55.957 55.957 59.084 -3.127 18027 2391 1 4 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.418 -5.162 18027 2392 1 4 . 1 1 74 74 ARG H H 74 7.264 7.264 7.467 -0.203 18027 2393 1 4 . 1 1 75 75 LYS N N 75 120.084 120.084 118.579 1.505 18027 2394 1 4 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.204 -0.256 18027 2395 1 4 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.936 -3.077 18027 2396 1 4 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.338 -3.657 18027 2397 1 4 . 1 1 75 75 LYS H H 75 7.756 7.756 7.517 0.239 18027 2398 1 4 . 1 1 76 76 MET N N 76 117.139 117.139 117.684 -0.545 18027 2399 1 4 . 1 1 76 76 MET HA H 76 4.168 4.168 4.404 -0.236 18027 2400 1 4 . 1 1 76 76 MET CA C 76 54.704 54.704 56.443 -1.739 18027 2401 1 4 . 1 1 76 76 MET CB C 76 30.052 30.052 32.451 -2.399 18027 2402 1 4 . 1 1 76 76 MET H H 76 7.985 7.985 7.439 0.546 18027 2403 1 4 . 1 1 77 77 LYS N N 77 116.614 116.614 117.751 -1.137 18027 2404 1 4 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.430 -0.209 18027 2405 1 4 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.347 -3.163 18027 2406 1 4 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.755 -6.472 18027 2407 1 4 . 1 1 77 77 LYS H H 77 7.275 7.275 7.461 -0.186 18027 2408 1 4 . 1 1 78 78 ASP N N 78 123.187 123.187 119.347 3.840 18027 2409 1 4 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.784 -0.333 18027 2410 1 4 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.888 -3.156 18027 2411 1 4 . 1 1 78 78 ASP CB C 78 38.391 38.391 42.298 -3.907 18027 2412 1 4 . 1 1 78 78 ASP H H 78 8.181 8.181 7.716 0.465 18027 2413 1 4 . 1 1 79 79 THR N N 79 114.325 114.325 112.107 2.218 18027 2414 1 4 . 1 1 79 79 THR HA H 79 4.034 4.034 3.916 0.118 18027 2415 1 4 . 1 1 79 79 THR CA C 79 61.322 61.322 64.392 -3.070 18027 2416 1 4 . 1 1 79 79 THR CB C 79 66.147 66.147 67.217 -1.070 18027 2417 1 4 . 1 1 79 79 THR H H 79 8.377 8.377 8.393 -0.016 18027 2418 1 4 . 1 1 80 80 ASP N N 80 120.844 120.844 119.904 0.940 18027 2419 1 4 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.861 -0.556 18027 2420 1 4 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.442 -2.770 18027 2421 1 4 . 1 1 80 80 ASP CB C 80 37.591 37.591 41.057 -3.466 18027 2422 1 4 . 1 1 80 80 ASP H H 80 8.223 8.223 8.534 -0.311 18027 2423 1 4 . 1 1 81 81 SER N N 81 115.729 115.729 114.571 1.158 18027 2424 1 4 . 1 1 81 81 SER HA H 81 3.911 3.911 4.566 -0.655 18027 2425 1 4 . 1 1 81 81 SER CA C 81 57.939 57.939 59.776 -1.837 18027 2426 1 4 . 1 1 81 81 SER CB C 81 60.664 60.664 62.809 -2.145 18027 2427 1 4 . 1 1 81 81 SER H H 81 7.785 7.785 8.292 -0.507 18027 2428 1 4 . 1 1 82 82 GLU N N 82 121.960 121.960 122.709 -0.749 18027 2429 1 4 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.237 -0.341 18027 2430 1 4 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.731 -1.902 18027 2431 1 4 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.341 -2.716 18027 2432 1 4 . 1 1 82 82 GLU H H 82 8.208 8.208 8.575 -0.367 18027 2433 1 4 . 1 1 83 83 GLU N N 83 118.040 118.040 117.196 0.844 18027 2434 1 4 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.216 -0.378 18027 2435 1 4 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.437 -2.492 18027 2436 1 4 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.321 -2.489 18027 2437 1 4 . 1 1 83 83 GLU H H 83 7.898 7.898 7.805 0.093 18027 2438 1 4 . 1 1 84 84 GLU N N 84 118.825 118.825 118.750 0.075 18027 2439 1 4 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.528 -3.770 18027 2440 1 4 . 1 1 84 84 GLU CB C 84 30.852 30.852 30.215 0.637 18027 2441 1 4 . 1 1 84 84 GLU H H 84 8.154 8.154 7.655 0.499 18027 2442 1 4 . 1 1 85 85 ILE N N 85 119.310 119.310 119.009 0.301 18027 2443 1 4 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.881 -0.114 18027 2444 1 4 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.275 -4.417 18027 2445 1 4 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.675 -2.026 18027 2446 1 4 . 1 1 85 85 ILE H H 85 7.793 7.793 7.500 0.293 18027 2447 1 4 . 1 1 86 86 ARG N N 86 120.640 120.640 119.717 0.923 18027 2448 1 4 . 1 1 86 86 ARG HA H 86 3.925 3.925 4.118 -0.193 18027 2449 1 4 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.546 -2.281 18027 2450 1 4 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.429 -2.575 18027 2451 1 4 . 1 1 86 86 ARG H H 86 8.177 8.177 7.841 0.336 18027 2452 1 4 . 1 1 87 87 GLU N N 87 119.448 119.448 119.129 0.319 18027 2453 1 4 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.262 -0.410 18027 2454 1 4 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.942 -2.299 18027 2455 1 4 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.444 -3.390 18027 2456 1 4 . 1 1 87 87 GLU H H 87 7.828 7.828 7.630 0.198 18027 2457 1 4 . 1 1 88 88 ALA N N 88 122.592 122.592 121.932 0.660 18027 2458 1 4 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.341 -0.313 18027 2459 1 4 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.491 -1.895 18027 2460 1 4 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.511 -3.879 18027 2461 1 4 . 1 1 88 88 ALA H H 88 8.283 8.283 7.599 0.684 18027 2462 1 4 . 1 1 89 89 PHE N N 89 119.245 119.245 119.480 -0.235 18027 2463 1 4 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.115 -1.002 18027 2464 1 4 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.452 -1.907 18027 2465 1 4 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.820 -3.485 18027 2466 1 4 . 1 1 89 89 PHE H H 89 8.423 8.423 8.021 0.402 18027 2467 1 4 . 1 1 90 90 ARG N N 90 117.455 117.455 118.534 -1.079 18027 2468 1 4 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.325 -0.476 18027 2469 1 4 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.029 -2.716 18027 2470 1 4 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.688 -2.491 18027 2471 1 4 . 1 1 90 90 ARG H H 90 7.840 7.840 7.878 -0.038 18027 2472 1 4 . 1 1 91 91 VAL N N 91 118.698 118.698 118.603 0.095 18027 2473 1 4 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.827 -0.575 18027 2474 1 4 . 1 1 91 91 VAL CA C 91 63.333 63.333 65.031 -1.698 18027 2475 1 4 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.454 -3.344 18027 2476 1 4 . 1 1 91 91 VAL H H 91 7.262 7.262 7.398 -0.136 18027 2477 1 4 . 1 1 92 92 PHE N N 92 112.495 112.495 118.148 -5.653 18027 2478 1 4 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.321 -0.387 18027 2479 1 4 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.381 -3.200 18027 2480 1 4 . 1 1 92 92 PHE CB C 92 39.419 39.419 40.229 -0.810 18027 2481 1 4 . 1 1 92 92 PHE H H 92 6.693 6.693 7.448 -0.755 18027 2482 1 4 . 1 1 93 93 ASP N N 93 117.214 117.214 117.631 -0.417 18027 2483 1 4 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.702 -0.268 18027 2484 1 4 . 1 1 93 93 ASP CA C 93 49.781 49.781 53.001 -3.220 18027 2485 1 4 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.555 -3.106 18027 2486 1 4 . 1 1 93 93 ASP H H 93 7.954 7.954 8.209 -0.255 18027 2487 1 4 . 1 1 94 94 LYS N N 94 125.565 125.565 124.137 1.428 18027 2488 1 4 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.212 -0.433 18027 2489 1 4 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.650 -2.971 18027 2490 1 4 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.423 -2.829 18027 2491 1 4 . 1 1 94 94 LYS H H 94 7.671 7.671 8.156 -0.485 18027 2492 1 4 . 1 1 95 95 ASP N N 95 114.041 114.041 118.292 -4.251 18027 2493 1 4 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.646 -0.238 18027 2494 1 4 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.291 -3.078 18027 2495 1 4 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.303 -4.739 18027 2496 1 4 . 1 1 95 95 ASP H H 95 7.944 7.944 7.744 0.200 18027 2497 1 4 . 1 1 96 96 GLY N N 96 108.849 108.849 107.718 1.131 18027 2498 1 4 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.849 -1.651 18027 2499 1 4 . 1 1 96 96 GLY H H 96 7.529 7.529 8.115 -0.586 18027 2500 1 4 . 1 1 97 97 ASN N N 97 119.410 119.410 118.890 0.520 18027 2501 1 4 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.586 -0.162 18027 2502 1 4 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.540 -3.857 18027 2503 1 4 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.580 -2.017 18027 2504 1 4 . 1 1 97 97 ASN H H 97 8.234 8.234 8.364 -0.130 18027 2505 1 4 . 1 1 98 98 GLY N N 98 112.073 112.073 105.510 6.563 18027 2506 1 4 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.270 -3.094 18027 2507 1 4 . 1 1 98 98 GLY H H 98 10.298 10.298 8.447 1.851 18027 2508 1 4 . 1 1 99 99 TYR N N 99 116.011 116.011 116.786 -0.775 18027 2509 1 4 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.066 -0.248 18027 2510 1 4 . 1 1 99 99 TYR CA C 99 53.681 53.681 55.226 -1.545 18027 2511 1 4 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.806 -0.931 18027 2512 1 4 . 1 1 99 99 TYR H H 99 7.497 7.497 7.227 0.270 18027 2513 1 4 . 1 1 100 100 ILE N N 100 126.793 126.793 121.157 5.636 18027 2514 1 4 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.289 0.134 18027 2515 1 4 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.507 -1.878 18027 2516 1 4 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.042 -2.294 18027 2517 1 4 . 1 1 100 100 ILE H H 100 9.833 9.833 8.642 1.191 18027 2518 1 4 . 1 1 101 101 SER N N 101 123.825 123.825 123.782 0.043 18027 2519 1 4 . 1 1 101 101 SER HA H 101 4.657 4.657 4.905 -0.248 18027 2520 1 4 . 1 1 101 101 SER CA C 101 53.060 53.060 58.034 -4.974 18027 2521 1 4 . 1 1 101 101 SER CB C 101 64.091 64.091 64.562 -0.471 18027 2522 1 4 . 1 1 101 101 SER H H 101 8.870 8.870 8.789 0.081 18027 2523 1 4 . 1 1 102 102 ALA N N 102 122.909 122.909 124.609 -1.700 18027 2524 1 4 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.082 -0.318 18027 2525 1 4 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.219 -2.169 18027 2526 1 4 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.441 -3.466 18027 2527 1 4 . 1 1 102 102 ALA H H 102 9.209 9.209 8.784 0.425 18027 2528 1 4 . 1 1 103 103 ALA N N 103 118.692 118.692 119.960 -1.268 18027 2529 1 4 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.052 -0.178 18027 2530 1 4 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.703 -2.217 18027 2531 1 4 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.113 -2.910 18027 2532 1 4 . 1 1 103 103 ALA H H 103 8.146 8.146 8.460 -0.314 18027 2533 1 4 . 1 1 104 104 GLU N N 104 120.098 120.098 118.761 1.337 18027 2534 1 4 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.210 -0.347 18027 2535 1 4 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.698 -2.123 18027 2536 1 4 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.373 -4.005 18027 2537 1 4 . 1 1 104 104 GLU H H 104 7.832 7.832 8.550 -0.718 18027 2538 1 4 . 1 1 105 105 LEU N N 105 121.466 121.466 120.670 0.796 18027 2539 1 4 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.039 0.077 18027 2540 1 4 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.663 -1.967 18027 2541 1 4 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.945 -2.983 18027 2542 1 4 . 1 1 105 105 LEU H H 105 8.300 8.300 7.699 0.601 18027 2543 1 4 . 1 1 106 106 ARG N N 106 118.978 118.978 118.418 0.560 18027 2544 1 4 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.895 -0.043 18027 2545 1 4 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.204 -1.770 18027 2546 1 4 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.743 -2.659 18027 2547 1 4 . 1 1 106 106 ARG H H 106 8.882 8.882 7.713 1.169 18027 2548 1 4 . 1 1 107 107 HIS N N 107 118.543 118.543 117.866 0.677 18027 2549 1 4 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.344 -0.144 18027 2550 1 4 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.633 -2.808 18027 2551 1 4 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.637 -2.897 18027 2552 1 4 . 1 1 107 107 HIS H H 107 7.991 7.991 7.761 0.230 18027 2553 1 4 . 1 1 108 108 VAL N N 108 118.687 118.687 118.508 0.179 18027 2554 1 4 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.714 -0.622 18027 2555 1 4 . 1 1 108 108 VAL CA C 108 64.210 64.210 65.573 -1.363 18027 2556 1 4 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.754 -2.844 18027 2557 1 4 . 1 1 108 108 VAL H H 108 7.425 7.425 7.398 0.027 18027 2558 1 4 . 1 1 109 109 MET N N 109 115.725 115.725 117.982 -2.257 18027 2559 1 4 . 1 1 109 109 MET HA H 109 3.944 3.944 4.304 -0.360 18027 2560 1 4 . 1 1 109 109 MET CA C 109 55.212 55.212 57.445 -2.233 18027 2561 1 4 . 1 1 109 109 MET CB C 109 27.425 27.425 32.288 -4.863 18027 2562 1 4 . 1 1 109 109 MET H H 109 7.972 7.972 7.631 0.341 18027 2563 1 4 . 1 1 110 110 THR N N 110 116.999 116.999 114.783 2.216 18027 2564 1 4 . 1 1 110 110 THR HA H 110 3.852 3.852 4.469 -0.617 18027 2565 1 4 . 1 1 110 110 THR CA C 110 63.918 63.918 64.768 -0.850 18027 2566 1 4 . 1 1 110 110 THR CB C 110 65.844 65.844 68.534 -2.690 18027 2567 1 4 . 1 1 110 110 THR H H 110 8.691 8.691 8.573 0.118 18027 2568 1 4 . 1 1 111 111 ASN N N 111 123.893 123.893 120.744 3.149 18027 2569 1 4 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.597 -0.356 18027 2570 1 4 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.277 -2.328 18027 2571 1 4 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.775 -3.811 18027 2572 1 4 . 1 1 111 111 ASN H H 111 7.911 7.911 8.037 -0.126 18027 2573 1 4 . 1 1 112 112 LEU N N 112 119.244 119.244 116.598 2.646 18027 2574 1 4 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.181 -0.109 18027 2575 1 4 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.079 -2.178 18027 2576 1 4 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.339 -2.806 18027 2577 1 4 . 1 1 112 112 LEU H H 112 7.618 7.618 7.324 0.294 18027 2578 1 4 . 1 1 113 113 GLY N N 113 107.263 107.263 106.118 1.145 18027 2579 1 4 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.711 -2.274 18027 2580 1 4 . 1 1 113 113 GLY H H 113 7.743 7.743 7.339 0.404 18027 2581 1 4 . 1 1 114 114 GLU N N 114 120.073 120.073 118.885 1.188 18027 2582 1 4 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.569 -0.279 18027 2583 1 4 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.776 -3.251 18027 2584 1 4 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.939 -5.400 18027 2585 1 4 . 1 1 114 114 GLU H H 114 7.857 7.857 7.857 0.000 18027 2586 1 4 . 1 1 115 115 LYS N N 115 124.142 124.142 124.041 0.101 18027 2587 1 4 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.511 -0.291 18027 2588 1 4 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.642 -2.748 18027 2589 1 4 . 1 1 115 115 LYS CB C 115 29.481 29.481 32.566 -3.085 18027 2590 1 4 . 1 1 115 115 LYS H H 115 8.377 8.377 8.516 -0.139 18027 2591 1 4 . 1 1 116 116 LEU N N 116 125.240 125.240 122.999 2.241 18027 2592 1 4 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.840 -0.368 18027 2593 1 4 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.235 -1.797 18027 2594 1 4 . 1 1 116 116 LEU CB C 116 40.675 40.675 43.033 -2.358 18027 2595 1 4 . 1 1 116 116 LEU H H 116 8.002 8.002 8.050 -0.048 18027 2596 1 4 . 1 1 117 117 THR N N 117 113.520 113.520 109.863 3.657 18027 2597 1 4 . 1 1 117 117 THR CA C 117 57.922 57.922 61.139 -3.217 18027 2598 1 4 . 1 1 117 117 THR CB C 117 68.352 68.352 70.246 -1.894 18027 2599 1 4 . 1 1 117 117 THR H H 117 8.927 8.927 8.064 0.863 18027 2600 1 4 . 1 1 118 118 ASP N N 118 120.859 120.859 120.880 -0.021 18027 2601 1 4 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.413 -0.370 18027 2602 1 4 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.328 -2.163 18027 2603 1 4 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.861 -4.088 18027 2604 1 4 . 1 1 118 118 ASP H H 118 8.754 8.754 8.715 0.039 18027 2605 1 4 . 1 1 119 119 GLU N N 119 119.112 119.112 118.896 0.216 18027 2606 1 4 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.053 -0.126 18027 2607 1 4 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.143 -1.953 18027 2608 1 4 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.436 -3.153 18027 2609 1 4 . 1 1 119 119 GLU H H 119 8.507 8.507 8.747 -0.240 18027 2610 1 4 . 1 1 120 120 GLU N N 120 120.059 120.059 117.547 2.512 18027 2611 1 4 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.337 -0.479 18027 2612 1 4 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.287 -1.828 18027 2613 1 4 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.798 -2.281 18027 2614 1 4 . 1 1 120 120 GLU H H 120 7.809 7.809 7.638 0.171 18027 2615 1 4 . 1 1 121 121 VAL N N 121 120.512 120.512 119.070 1.442 18027 2616 1 4 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.814 -0.342 18027 2617 1 4 . 1 1 121 121 VAL CA C 121 64.082 64.082 65.652 -1.570 18027 2618 1 4 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.890 -3.323 18027 2619 1 4 . 1 1 121 121 VAL H H 121 7.898 7.898 7.174 0.724 18027 2620 1 4 . 1 1 122 122 ASP N N 122 119.857 119.857 120.293 -0.436 18027 2621 1 4 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.313 -0.145 18027 2622 1 4 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.849 -2.943 18027 2623 1 4 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.820 -3.343 18027 2624 1 4 . 1 1 122 122 ASP H H 122 7.897 7.897 8.176 -0.279 18027 2625 1 4 . 1 1 123 123 GLU N N 123 119.630 119.630 118.460 1.170 18027 2626 1 4 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.065 -0.227 18027 2627 1 4 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.734 -1.657 18027 2628 1 4 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.671 -3.502 18027 2629 1 4 . 1 1 123 123 GLU H H 123 7.963 7.963 7.711 0.252 18027 2630 1 4 . 1 1 124 124 MET N N 124 119.144 119.144 117.458 1.686 18027 2631 1 4 . 1 1 124 124 MET HA H 124 3.859 3.859 4.272 -0.413 18027 2632 1 4 . 1 1 124 124 MET CA C 124 56.508 56.508 57.284 -0.776 18027 2633 1 4 . 1 1 124 124 MET CB C 124 29.253 29.253 32.763 -3.510 18027 2634 1 4 . 1 1 124 124 MET H H 124 7.631 7.631 7.860 -0.229 18027 2635 1 4 . 1 1 125 125 ILE N N 125 117.557 117.557 120.368 -2.811 18027 2636 1 4 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.900 -0.616 18027 2637 1 4 . 1 1 125 125 ILE CA C 125 61.139 61.139 65.337 -4.198 18027 2638 1 4 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.861 -3.811 18027 2639 1 4 . 1 1 125 125 ILE H H 125 7.669 7.669 7.398 0.271 18027 2640 1 4 . 1 1 126 126 ARG N N 126 118.414 118.414 119.239 -0.825 18027 2641 1 4 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.146 -0.288 18027 2642 1 4 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.698 -1.896 18027 2643 1 4 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.797 -2.373 18027 2644 1 4 . 1 1 126 126 ARG H H 126 7.952 7.952 7.540 0.412 18027 2645 1 4 . 1 1 127 127 GLU N N 127 116.143 116.143 118.457 -2.314 18027 2646 1 4 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.283 -0.425 18027 2647 1 4 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.019 -1.804 18027 2648 1 4 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.222 -3.025 18027 2649 1 4 . 1 1 127 127 GLU H H 127 7.294 7.294 7.930 -0.636 18027 2650 1 4 . 1 1 128 128 ALA N N 128 116.994 116.994 120.616 -3.622 18027 2651 1 4 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.614 -0.161 18027 2652 1 4 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.922 -3.750 18027 2653 1 4 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.825 -1.053 18027 2654 1 4 . 1 1 128 128 ALA H H 128 7.110 7.110 7.397 -0.287 18027 2655 1 4 . 1 1 129 129 ASP N N 129 117.846 117.846 120.878 -3.032 18027 2656 1 4 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.652 -0.210 18027 2657 1 4 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.803 -3.170 18027 2658 1 4 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.730 -2.225 18027 2659 1 4 . 1 1 129 129 ASP H H 129 7.508 7.508 8.396 -0.888 18027 2660 1 4 . 1 1 130 130 ILE N N 130 128.118 128.118 121.524 6.594 18027 2661 1 4 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.063 -0.313 18027 2662 1 4 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.291 -2.708 18027 2663 1 4 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.015 -2.252 18027 2664 1 4 . 1 1 130 130 ILE H H 130 8.168 8.168 8.330 -0.162 18027 2665 1 4 . 1 1 131 131 ASP N N 131 116.572 116.572 120.534 -3.962 18027 2666 1 4 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.591 -0.295 18027 2667 1 4 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.789 -2.667 18027 2668 1 4 . 1 1 131 131 ASP CB C 131 37.477 37.477 41.257 -3.780 18027 2669 1 4 . 1 1 131 131 ASP H H 131 8.136 8.136 8.351 -0.215 18027 2670 1 4 . 1 1 132 132 GLY N N 132 108.411 108.411 109.138 -0.727 18027 2671 1 4 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.852 -1.345 18027 2672 1 4 . 1 1 132 132 GLY H H 132 7.460 7.460 8.363 -0.903 18027 2673 1 4 . 1 1 133 133 ASP N N 133 120.424 120.424 120.015 0.409 18027 2674 1 4 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.525 -0.229 18027 2675 1 4 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.148 -2.295 18027 2676 1 4 . 1 1 133 133 ASP H H 133 8.177 8.177 7.920 0.257 18027 2677 1 4 . 1 1 134 134 GLY N N 134 112.396 112.396 108.037 4.359 18027 2678 1 4 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.240 -2.187 18027 2679 1 4 . 1 1 134 134 GLY H H 134 10.043 10.043 8.157 1.886 18027 2680 1 4 . 1 1 135 135 GLN N N 135 115.588 115.588 118.232 -2.644 18027 2681 1 4 . 1 1 135 135 GLN HA H 135 4.804 4.804 4.997 -0.193 18027 2682 1 4 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.630 -3.215 18027 2683 1 4 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.604 -3.323 18027 2684 1 4 . 1 1 135 135 GLN H H 135 7.866 7.866 7.943 -0.077 18027 2685 1 4 . 1 1 136 136 VAL N N 136 124.910 124.910 120.393 4.517 18027 2686 1 4 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.267 0.732 18027 2687 1 4 . 1 1 136 136 VAL CA C 136 58.707 58.707 61.302 -2.595 18027 2688 1 4 . 1 1 136 136 VAL CB C 136 31.080 31.080 32.764 -1.684 18027 2689 1 4 . 1 1 136 136 VAL H H 136 8.856 8.856 8.728 0.128 18027 2690 1 4 . 1 1 137 137 ASN N N 137 129.009 129.009 124.769 4.240 18027 2691 1 4 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.225 -0.052 18027 2692 1 4 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.977 -3.894 18027 2693 1 4 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.998 -5.364 18027 2694 1 4 . 1 1 137 137 ASN H H 137 9.390 9.390 8.801 0.589 18027 2695 1 4 . 1 1 138 138 TYR N N 138 118.471 118.471 124.270 -5.799 18027 2696 1 4 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.313 0.165 18027 2697 1 4 . 1 1 138 138 TYR CA C 138 59.799 59.799 62.632 -2.833 18027 2698 1 4 . 1 1 138 138 TYR CB C 138 35.535 35.535 38.949 -3.414 18027 2699 1 4 . 1 1 138 138 TYR H H 138 8.075 8.075 9.354 -1.279 18027 2700 1 4 . 1 1 139 139 GLU N N 139 118.535 118.535 117.761 0.774 18027 2701 1 4 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.127 -0.289 18027 2702 1 4 . 1 1 139 139 GLU CA C 139 57.532 57.532 60.203 -2.671 18027 2703 1 4 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.497 -2.557 18027 2704 1 4 . 1 1 139 139 GLU H H 139 7.925 7.925 8.891 -0.966 18027 2705 1 4 . 1 1 140 140 GLU N N 140 119.583 119.583 119.132 0.451 18027 2706 1 4 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.231 -0.382 18027 2707 1 4 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.206 -2.124 18027 2708 1 4 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.252 -2.741 18027 2709 1 4 . 1 1 140 140 GLU H H 140 8.664 8.664 8.692 -0.028 18027 2710 1 4 . 1 1 141 141 PHE N N 141 123.810 123.810 121.051 2.759 18027 2711 1 4 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.199 -0.478 18027 2712 1 4 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.300 -2.208 18027 2713 1 4 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.176 -1.471 18027 2714 1 4 . 1 1 141 141 PHE H H 141 8.395 8.395 8.091 0.304 18027 2715 1 4 . 1 1 142 142 VAL N N 142 118.551 118.551 119.623 -1.072 18027 2716 1 4 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.491 -0.399 18027 2717 1 4 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.228 -2.046 18027 2718 1 4 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.765 -2.969 18027 2719 1 4 . 1 1 142 142 VAL H H 142 8.484 8.484 8.562 -0.078 18027 2720 1 4 . 1 1 143 143 GLN N N 143 119.672 119.672 117.403 2.269 18027 2721 1 4 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.029 -0.191 18027 2722 1 4 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.204 -1.931 18027 2723 1 4 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.630 -3.718 18027 2724 1 4 . 1 1 143 143 GLN H H 143 7.803 7.803 7.628 0.175 18027 2725 1 4 . 1 1 144 144 MET N N 144 116.710 116.710 117.128 -0.418 18027 2726 1 4 . 1 1 144 144 MET HA H 144 3.943 3.943 4.049 -0.106 18027 2727 1 4 . 1 1 144 144 MET CA C 144 55.387 55.387 57.981 -2.594 18027 2728 1 4 . 1 1 144 144 MET CB C 144 29.709 29.709 32.295 -2.586 18027 2729 1 4 . 1 1 144 144 MET H H 144 7.322 7.322 7.344 -0.022 18027 2730 1 4 . 1 1 145 145 MET N N 145 114.879 114.879 116.694 -1.815 18027 2731 1 4 . 1 1 145 145 MET HA H 145 4.062 4.062 4.342 -0.280 18027 2732 1 4 . 1 1 145 145 MET CA C 145 53.291 53.291 57.984 -4.693 18027 2733 1 4 . 1 1 145 145 MET CB C 145 29.253 29.253 33.670 -4.417 18027 2734 1 4 . 1 1 145 145 MET H H 145 7.467 7.467 7.596 -0.129 18027 2735 1 4 . 1 1 146 146 THR N N 146 108.698 108.698 110.286 -1.588 18027 2736 1 4 . 1 1 146 146 THR HA H 146 4.136 4.136 4.394 -0.258 18027 2737 1 4 . 1 1 146 146 THR CA C 146 59.201 59.201 61.713 -2.512 18027 2738 1 4 . 1 1 146 146 THR CB C 146 67.404 67.404 69.672 -2.268 18027 2739 1 4 . 1 1 146 146 THR H H 146 7.551 7.551 7.548 0.003 18027 2740 1 4 . 1 1 147 147 ALA N N 147 126.669 126.669 125.331 1.338 18027 2741 1 4 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.393 -0.248 18027 2742 1 4 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.904 -1.831 18027 2743 1 4 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.102 -3.757 18027 2744 1 4 . 1 1 147 147 ALA H H 147 7.596 7.596 7.211 0.385 18027 2745 1 5 . 1 1 2 2 ASP N N 2 120.442 120.442 121.101 -0.659 18027 2746 1 5 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.679 -0.226 18027 2747 1 5 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.378 -2.449 18027 2748 1 5 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.615 -3.110 18027 2749 1 5 . 1 1 2 2 ASP H H 2 8.521 8.521 8.636 -0.115 18027 2750 1 5 . 1 1 3 3 GLN N N 3 119.769 119.769 119.323 0.446 18027 2751 1 5 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.409 -0.191 18027 2752 1 5 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.227 -2.541 18027 2753 1 5 . 1 1 3 3 GLN H H 3 8.199 8.199 7.859 0.340 18027 2754 1 5 . 1 1 4 4 LEU N N 4 120.939 120.939 124.650 -3.711 18027 2755 1 5 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.554 -0.071 18027 2756 1 5 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.694 -3.110 18027 2757 1 5 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.052 -2.491 18027 2758 1 5 . 1 1 4 4 LEU H H 4 7.510 7.510 8.622 -1.112 18027 2759 1 5 . 1 1 5 5 THR N N 5 112.777 112.777 115.215 -2.438 18027 2760 1 5 . 1 1 5 5 THR HA H 5 4.253 4.253 4.486 -0.233 18027 2761 1 5 . 1 1 5 5 THR CA C 5 57.873 57.873 61.411 -3.538 18027 2762 1 5 . 1 1 5 5 THR CB C 5 68.203 68.203 70.056 -1.853 18027 2763 1 5 . 1 1 5 5 THR H H 5 8.576 8.576 7.949 0.627 18027 2764 1 5 . 1 1 6 6 GLU N N 6 120.254 120.254 120.784 -0.530 18027 2765 1 5 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.056 -0.262 18027 2766 1 5 . 1 1 6 6 GLU CA C 6 57.645 57.645 58.880 -1.235 18027 2767 1 5 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.430 -3.144 18027 2768 1 5 . 1 1 6 6 GLU H H 6 8.874 8.874 8.634 0.240 18027 2769 1 5 . 1 1 7 7 GLU N N 7 119.637 119.637 119.211 0.426 18027 2770 1 5 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.207 -0.311 18027 2771 1 5 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.951 -1.775 18027 2772 1 5 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.332 -3.278 18027 2773 1 5 . 1 1 7 7 GLU H H 7 8.536 8.536 8.347 0.189 18027 2774 1 5 . 1 1 8 8 GLN N N 8 120.086 120.086 118.569 1.517 18027 2775 1 5 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.467 -0.629 18027 2776 1 5 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.091 -1.680 18027 2777 1 5 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.282 -2.657 18027 2778 1 5 . 1 1 8 8 GLN H H 8 7.499 7.499 7.799 -0.300 18027 2779 1 5 . 1 1 9 9 ILE N N 9 120.295 120.295 119.667 0.628 18027 2780 1 5 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.834 -0.167 18027 2781 1 5 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.132 -0.086 18027 2782 1 5 . 1 1 9 9 ILE H H 9 8.405 8.405 8.805 -0.400 18027 2783 1 5 . 1 1 10 10 ALA N N 10 121.503 121.503 120.746 0.757 18027 2784 1 5 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.194 -0.283 18027 2785 1 5 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.028 -2.371 18027 2786 1 5 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.131 -3.156 18027 2787 1 5 . 1 1 10 10 ALA H H 10 7.949 7.949 7.700 0.249 18027 2788 1 5 . 1 1 11 11 GLU N N 11 118.352 118.352 119.221 -0.869 18027 2789 1 5 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.170 -0.332 18027 2790 1 5 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.738 -2.065 18027 2791 1 5 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.607 -2.639 18027 2792 1 5 . 1 1 11 11 GLU H H 11 7.700 7.700 7.795 -0.095 18027 2793 1 5 . 1 1 12 12 PHE N N 12 117.277 117.277 120.268 -2.991 18027 2794 1 5 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.433 0.044 18027 2795 1 5 . 1 1 12 12 PHE CA C 12 59.655 59.655 62.379 -2.724 18027 2796 1 5 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.235 -3.700 18027 2797 1 5 . 1 1 12 12 PHE H H 12 8.211 8.211 7.772 0.439 18027 2798 1 5 . 1 1 13 13 LYS N N 13 122.928 122.928 119.404 3.524 18027 2799 1 5 . 1 1 13 13 LYS HA H 13 3.925 3.925 4.269 -0.344 18027 2800 1 5 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.531 -2.377 18027 2801 1 5 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.177 -6.008 18027 2802 1 5 . 1 1 13 13 LYS H H 13 8.925 8.925 8.019 0.906 18027 2803 1 5 . 1 1 14 14 GLU N N 14 119.706 119.706 118.043 1.663 18027 2804 1 5 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.225 -0.367 18027 2805 1 5 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.633 -2.297 18027 2806 1 5 . 1 1 14 14 GLU CB C 14 26.283 26.283 30.021 -3.739 18027 2807 1 5 . 1 1 14 14 GLU H H 14 7.824 7.824 7.881 -0.057 18027 2808 1 5 . 1 1 15 15 ALA N N 15 123.880 123.880 121.254 2.626 18027 2809 1 5 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.282 -0.415 18027 2810 1 5 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.466 -1.631 18027 2811 1 5 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.958 -3.755 18027 2812 1 5 . 1 1 15 15 ALA H H 15 8.124 8.124 7.992 0.132 18027 2813 1 5 . 1 1 16 16 PHE N N 16 118.972 118.972 119.785 -0.813 18027 2814 1 5 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.025 -0.893 18027 2815 1 5 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.949 -0.966 18027 2816 1 5 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.621 -3.172 18027 2817 1 5 . 1 1 16 16 PHE H H 16 8.446 8.446 8.403 0.043 18027 2818 1 5 . 1 1 17 17 SER N N 17 114.737 114.737 113.945 0.792 18027 2819 1 5 . 1 1 17 17 SER HA H 17 3.902 3.902 4.338 -0.436 18027 2820 1 5 . 1 1 17 17 SER CA C 17 58.999 58.999 60.613 -1.614 18027 2821 1 5 . 1 1 17 17 SER CB C 17 60.436 60.436 63.081 -2.645 18027 2822 1 5 . 1 1 17 17 SER H H 17 7.874 7.874 7.990 -0.116 18027 2823 1 5 . 1 1 18 18 LEU N N 18 120.225 120.225 120.977 -0.752 18027 2824 1 5 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.078 -0.293 18027 2825 1 5 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.443 -2.714 18027 2826 1 5 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.218 -4.056 18027 2827 1 5 . 1 1 18 18 LEU H H 18 7.183 7.183 7.332 -0.149 18027 2828 1 5 . 1 1 19 19 PHE N N 19 112.357 112.357 114.612 -2.255 18027 2829 1 5 . 1 1 19 19 PHE CA C 19 56.424 56.424 59.235 -2.811 18027 2830 1 5 . 1 1 19 19 PHE H H 19 6.977 6.977 7.557 -0.580 18027 2831 1 5 . 1 1 20 20 ASP N N 20 117.274 117.274 121.114 -3.840 18027 2832 1 5 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.740 -0.308 18027 2833 1 5 . 1 1 20 20 ASP CA C 20 49.512 49.512 53.392 -3.880 18027 2834 1 5 . 1 1 20 20 ASP CB C 20 36.677 36.677 39.793 -3.116 18027 2835 1 5 . 1 1 20 20 ASP H H 20 7.446 7.446 7.640 -0.194 18027 2836 1 5 . 1 1 21 21 LYS N N 21 124.296 124.296 120.587 3.709 18027 2837 1 5 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.216 -0.378 18027 2838 1 5 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.611 -1.931 18027 2839 1 5 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.381 -2.786 18027 2840 1 5 . 1 1 21 21 LYS H H 21 7.520 7.520 7.881 -0.361 18027 2841 1 5 . 1 1 22 22 ASP N N 22 113.761 113.761 118.252 -4.491 18027 2842 1 5 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.719 -0.285 18027 2843 1 5 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.728 -4.667 18027 2844 1 5 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.655 -5.092 18027 2845 1 5 . 1 1 22 22 ASP H H 22 7.819 7.819 8.037 -0.218 18027 2846 1 5 . 1 1 23 23 GLY N N 23 108.838 108.838 107.353 1.485 18027 2847 1 5 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.852 -1.547 18027 2848 1 5 . 1 1 23 23 GLY H H 23 7.497 7.497 8.268 -0.771 18027 2849 1 5 . 1 1 24 24 ASP N N 24 120.790 120.790 120.247 0.543 18027 2850 1 5 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.728 -0.378 18027 2851 1 5 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.481 -3.628 18027 2852 1 5 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.973 -4.610 18027 2853 1 5 . 1 1 24 24 ASP H H 24 8.312 8.312 8.253 0.059 18027 2854 1 5 . 1 1 25 25 GLY N N 25 112.499 112.499 109.912 2.587 18027 2855 1 5 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.101 -2.681 18027 2856 1 5 . 1 1 25 25 GLY H H 25 10.352 10.352 8.249 2.103 18027 2857 1 5 . 1 1 26 26 THR N N 26 111.781 111.781 110.784 0.997 18027 2858 1 5 . 1 1 26 26 THR HA H 26 5.316 5.316 5.832 -0.516 18027 2859 1 5 . 1 1 26 26 THR CA C 26 56.878 56.878 60.039 -3.162 18027 2860 1 5 . 1 1 26 26 THR CB C 26 70.031 70.031 72.550 -2.519 18027 2861 1 5 . 1 1 26 26 THR H H 26 8.018 8.018 8.704 -0.686 18027 2862 1 5 . 1 1 27 27 ILE N N 27 126.162 126.162 124.651 1.511 18027 2863 1 5 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.474 0.184 18027 2864 1 5 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.014 -1.537 18027 2865 1 5 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.429 -1.857 18027 2866 1 5 . 1 1 27 27 ILE H H 27 9.769 9.769 8.505 1.264 18027 2867 1 5 . 1 1 28 28 THR N N 28 116.311 116.311 119.652 -3.341 18027 2868 1 5 . 1 1 28 28 THR HA H 28 4.669 4.669 5.020 -0.351 18027 2869 1 5 . 1 1 28 28 THR CA C 28 56.878 56.878 60.727 -3.849 18027 2870 1 5 . 1 1 28 28 THR CB C 28 69.688 69.688 70.073 -0.385 18027 2871 1 5 . 1 1 28 28 THR H H 28 8.302 8.302 8.221 0.081 18027 2872 1 5 . 1 1 29 29 THR N N 29 112.465 112.465 113.860 -1.395 18027 2873 1 5 . 1 1 29 29 THR HA H 29 3.633 3.633 3.988 -0.355 18027 2874 1 5 . 1 1 29 29 THR CA C 29 63.820 63.820 66.180 -2.360 18027 2875 1 5 . 1 1 29 29 THR CB C 29 65.160 65.160 68.317 -3.157 18027 2876 1 5 . 1 1 29 29 THR H H 29 9.078 9.078 8.584 0.494 18027 2877 1 5 . 1 1 30 30 LYS N N 30 120.792 120.792 120.871 -0.079 18027 2878 1 5 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.204 -0.249 18027 2879 1 5 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.034 -2.465 18027 2880 1 5 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.417 -1.822 18027 2881 1 5 . 1 1 30 30 LYS H H 30 7.467 7.467 8.287 -0.820 18027 2882 1 5 . 1 1 31 31 GLU N N 31 121.359 121.359 120.318 1.041 18027 2883 1 5 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.092 -0.186 18027 2884 1 5 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.770 -2.093 18027 2885 1 5 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.457 -2.375 18027 2886 1 5 . 1 1 31 31 GLU H H 31 7.574 7.574 7.636 -0.062 18027 2887 1 5 . 1 1 32 32 LEU N N 32 120.087 120.087 120.577 -0.490 18027 2888 1 5 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.413 -0.356 18027 2889 1 5 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.785 -2.213 18027 2890 1 5 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.179 -2.327 18027 2891 1 5 . 1 1 32 32 LEU H H 32 8.712 8.712 7.695 1.017 18027 2892 1 5 . 1 1 33 33 GLY N N 33 105.634 105.634 104.771 0.863 18027 2893 1 5 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.136 -1.498 18027 2894 1 5 . 1 1 33 33 GLY H H 33 8.696 8.696 7.727 0.969 18027 2895 1 5 . 1 1 34 34 THR N N 34 117.265 117.265 117.264 0.001 18027 2896 1 5 . 1 1 34 34 THR HA H 34 3.810 3.810 4.011 -0.201 18027 2897 1 5 . 1 1 34 34 THR CA C 34 64.259 64.259 66.443 -2.184 18027 2898 1 5 . 1 1 34 34 THR CB C 34 66.033 66.033 68.722 -2.689 18027 2899 1 5 . 1 1 34 34 THR H H 34 7.785 7.785 7.623 0.162 18027 2900 1 5 . 1 1 35 35 VAL N N 35 121.498 121.498 120.599 0.899 18027 2901 1 5 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.778 -0.377 18027 2902 1 5 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.416 -1.108 18027 2903 1 5 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.200 -2.404 18027 2904 1 5 . 1 1 35 35 VAL H H 35 7.268 7.268 7.259 0.009 18027 2905 1 5 . 1 1 36 36 MET N N 36 117.302 117.302 118.849 -1.547 18027 2906 1 5 . 1 1 36 36 MET HA H 36 3.842 3.842 4.255 -0.413 18027 2907 1 5 . 1 1 36 36 MET CA C 36 56.606 56.606 57.791 -1.185 18027 2908 1 5 . 1 1 36 36 MET CB C 36 28.453 28.453 31.512 -3.059 18027 2909 1 5 . 1 1 36 36 MET H H 36 8.487 8.487 7.512 0.975 18027 2910 1 5 . 1 1 37 37 ARG N N 37 118.262 118.262 118.355 -0.093 18027 2911 1 5 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.151 0.506 18027 2912 1 5 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.924 -2.444 18027 2913 1 5 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.045 -3.305 18027 2914 1 5 . 1 1 37 37 ARG H H 37 8.330 8.330 8.396 -0.066 18027 2915 1 5 . 1 1 38 38 SER N N 38 117.873 117.873 111.282 6.591 18027 2916 1 5 . 1 1 38 38 SER H H 38 7.815 7.815 7.645 0.170 18027 2917 1 5 . 1 1 39 39 LEU N N 39 117.970 117.970 117.887 0.083 18027 2918 1 5 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.362 -0.290 18027 2919 1 5 . 1 1 39 39 LEU CA C 39 51.438 51.438 54.706 -3.268 18027 2920 1 5 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.719 -4.557 18027 2921 1 5 . 1 1 39 39 LEU H H 39 7.326 7.326 7.675 -0.349 18027 2922 1 5 . 1 1 40 40 GLY N N 40 106.755 106.755 106.128 0.627 18027 2923 1 5 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.739 -2.075 18027 2924 1 5 . 1 1 40 40 GLY H H 40 7.636 7.636 8.031 -0.395 18027 2925 1 5 . 1 1 41 41 GLN N N 41 118.316 118.316 119.942 -1.626 18027 2926 1 5 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.536 -0.251 18027 2927 1 5 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.717 -3.864 18027 2928 1 5 . 1 1 41 41 GLN CB C 41 27.311 27.311 32.053 -4.742 18027 2929 1 5 . 1 1 41 41 GLN H H 41 7.827 7.827 8.354 -0.527 18027 2930 1 5 . 1 1 42 42 ASN N N 42 115.866 115.866 121.616 -5.750 18027 2931 1 5 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.030 -0.017 18027 2932 1 5 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.470 -2.908 18027 2933 1 5 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.085 -2.767 18027 2934 1 5 . 1 1 42 42 ASN H H 42 8.557 8.557 8.688 -0.131 18027 2935 1 5 . 1 1 44 44 THR N N 44 113.035 113.035 114.071 -1.036 18027 2936 1 5 . 1 1 44 44 THR HA H 44 4.296 4.296 4.449 -0.153 18027 2937 1 5 . 1 1 44 44 THR CA C 44 57.922 57.922 60.319 -2.397 18027 2938 1 5 . 1 1 44 44 THR CB C 44 68.317 68.317 70.285 -1.968 18027 2939 1 5 . 1 1 44 44 THR H H 44 8.694 8.694 8.048 0.646 18027 2940 1 5 . 1 1 45 45 GLU N N 45 120.283 120.283 121.302 -1.019 18027 2941 1 5 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.045 -0.149 18027 2942 1 5 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.763 -2.407 18027 2943 1 5 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.326 -3.610 18027 2944 1 5 . 1 1 45 45 GLU H H 45 8.687 8.687 8.835 -0.148 18027 2945 1 5 . 1 1 46 46 ALA N N 46 120.685 120.685 122.029 -1.344 18027 2946 1 5 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.242 -0.372 18027 2947 1 5 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.539 -2.223 18027 2948 1 5 . 1 1 46 46 ALA CB C 46 15.089 15.089 17.954 -2.865 18027 2949 1 5 . 1 1 46 46 ALA H H 46 8.153 8.153 8.209 -0.056 18027 2950 1 5 . 1 1 47 47 GLU N N 47 118.546 118.546 117.876 0.670 18027 2951 1 5 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.192 -0.333 18027 2952 1 5 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.795 -2.287 18027 2953 1 5 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.402 -2.662 18027 2954 1 5 . 1 1 47 47 GLU H H 47 7.554 7.554 8.335 -0.781 18027 2955 1 5 . 1 1 48 48 LEU N N 48 120.085 120.085 119.979 0.106 18027 2956 1 5 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.062 -0.122 18027 2957 1 5 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.679 -2.311 18027 2958 1 5 . 1 1 48 48 LEU CB C 48 39.419 39.419 42.035 -2.616 18027 2959 1 5 . 1 1 48 48 LEU H H 48 8.247 8.247 7.995 0.252 18027 2960 1 5 . 1 1 49 49 GLN N N 49 118.119 118.119 118.241 -0.122 18027 2961 1 5 . 1 1 49 49 GLN HA H 49 3.913 3.913 3.970 -0.057 18027 2962 1 5 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.880 -2.177 18027 2963 1 5 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.465 -2.068 18027 2964 1 5 . 1 1 49 49 GLN H H 49 7.891 7.891 7.731 0.160 18027 2965 1 5 . 1 1 50 50 ASP N N 50 119.263 119.263 120.698 -1.435 18027 2966 1 5 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.422 -0.243 18027 2967 1 5 . 1 1 50 50 ASP CA C 50 54.876 54.876 57.061 -2.185 18027 2968 1 5 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.852 -3.604 18027 2969 1 5 . 1 1 50 50 ASP H H 50 7.803 7.803 7.631 0.172 18027 2970 1 5 . 1 1 51 51 MET N N 51 120.178 120.178 118.736 1.442 18027 2971 1 5 . 1 1 51 51 MET HA H 51 3.966 3.966 4.234 -0.268 18027 2972 1 5 . 1 1 51 51 MET CA C 51 57.074 57.074 58.129 -1.055 18027 2973 1 5 . 1 1 51 51 MET CB C 51 29.975 29.975 33.003 -3.028 18027 2974 1 5 . 1 1 51 51 MET H H 51 7.831 7.831 7.403 0.428 18027 2975 1 5 . 1 1 52 52 ILE N N 52 116.856 116.856 120.030 -3.174 18027 2976 1 5 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.730 -0.382 18027 2977 1 5 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.004 -2.329 18027 2978 1 5 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.537 -3.715 18027 2979 1 5 . 1 1 52 52 ILE H H 52 7.703 7.703 7.626 0.077 18027 2980 1 5 . 1 1 53 53 ASN N N 53 117.417 117.417 116.199 1.218 18027 2981 1 5 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.480 -0.227 18027 2982 1 5 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.799 -2.758 18027 2983 1 5 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.355 -3.277 18027 2984 1 5 . 1 1 53 53 ASN H H 53 8.187 8.187 8.007 0.180 18027 2985 1 5 . 1 1 54 54 GLU N N 54 116.996 116.996 117.847 -0.851 18027 2986 1 5 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.251 -0.392 18027 2987 1 5 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.537 -2.663 18027 2988 1 5 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.170 -3.773 18027 2989 1 5 . 1 1 54 54 GLU H H 54 7.391 7.391 7.996 -0.605 18027 2990 1 5 . 1 1 55 55 VAL N N 55 114.596 114.596 116.927 -2.331 18027 2991 1 5 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.037 -0.050 18027 2992 1 5 . 1 1 55 55 VAL CA C 55 58.945 58.945 63.501 -4.556 18027 2993 1 5 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.791 -2.053 18027 2994 1 5 . 1 1 55 55 VAL H H 55 7.151 7.151 7.591 -0.440 18027 2995 1 5 . 1 1 56 56 ASP N N 56 119.670 119.670 121.585 -1.915 18027 2996 1 5 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.407 -0.090 18027 2997 1 5 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.498 -4.142 18027 2998 1 5 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.162 -3.571 18027 2999 1 5 . 1 1 56 56 ASP H H 56 7.913 7.913 8.253 -0.340 18027 3000 1 5 . 1 1 57 57 ALA N N 57 131.491 131.491 129.159 2.332 18027 3001 1 5 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.232 -0.131 18027 3002 1 5 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.632 -2.449 18027 3003 1 5 . 1 1 57 57 ALA H H 57 8.126 8.126 8.675 -0.549 18027 3004 1 5 . 1 1 58 58 ASP N N 58 114.255 114.255 117.269 -3.014 18027 3005 1 5 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.691 -0.257 18027 3006 1 5 . 1 1 58 58 ASP CA C 58 49.960 49.960 55.068 -5.108 18027 3007 1 5 . 1 1 58 58 ASP CB C 58 36.563 36.563 42.179 -5.616 18027 3008 1 5 . 1 1 58 58 ASP H H 58 8.130 8.130 8.311 -0.181 18027 3009 1 5 . 1 1 59 59 GLY N N 59 108.987 108.987 108.724 0.263 18027 3010 1 5 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.368 -1.072 18027 3011 1 5 . 1 1 59 59 GLY H H 59 7.504 7.504 8.791 -1.287 18027 3012 1 5 . 1 1 60 60 ASN N N 60 118.770 118.770 118.696 0.074 18027 3013 1 5 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.878 -0.449 18027 3014 1 5 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.753 -2.894 18027 3015 1 5 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.240 -5.733 18027 3016 1 5 . 1 1 60 60 ASN H H 60 8.095 8.095 8.447 -0.352 18027 3017 1 5 . 1 1 61 61 GLY N N 61 112.773 112.773 108.844 3.929 18027 3018 1 5 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.279 -2.567 18027 3019 1 5 . 1 1 61 61 GLY H H 61 10.280 10.280 8.399 1.881 18027 3020 1 5 . 1 1 62 62 THR N N 62 108.117 108.117 110.477 -2.360 18027 3021 1 5 . 1 1 62 62 THR HA H 62 4.672 4.672 5.102 -0.430 18027 3022 1 5 . 1 1 62 62 THR CA C 62 56.878 56.878 59.736 -2.858 18027 3023 1 5 . 1 1 62 62 THR CB C 62 69.688 69.688 71.928 -2.240 18027 3024 1 5 . 1 1 62 62 THR H H 62 7.475 7.475 8.167 -0.692 18027 3025 1 5 . 1 1 63 63 ILE N N 63 122.642 122.642 122.617 0.025 18027 3026 1 5 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.409 0.387 18027 3027 1 5 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.326 -2.514 18027 3028 1 5 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.143 -3.780 18027 3029 1 5 . 1 1 63 63 ILE H H 63 8.449 8.449 8.252 0.197 18027 3030 1 5 . 1 1 64 64 ASP N N 64 128.633 128.633 124.899 3.734 18027 3031 1 5 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.236 0.080 18027 3032 1 5 . 1 1 64 64 ASP CA C 64 49.280 49.280 52.857 -3.577 18027 3033 1 5 . 1 1 64 64 ASP CB C 64 39.761 39.761 44.584 -4.823 18027 3034 1 5 . 1 1 64 64 ASP H H 64 9.011 9.011 8.565 0.446 18027 3035 1 5 . 1 1 65 65 PHE N N 65 118.892 118.892 119.285 -0.393 18027 3036 1 5 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.230 -0.463 18027 3037 1 5 . 1 1 65 65 PHE CA C 65 60.213 60.213 63.484 -3.271 18027 3038 1 5 . 1 1 65 65 PHE H H 65 8.766 8.766 8.826 -0.060 18027 3039 1 5 . 1 1 67 67 GLU N N 67 118.675 118.675 115.549 3.126 18027 3040 1 5 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.317 -0.480 18027 3041 1 5 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.396 -0.791 18027 3042 1 5 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.921 -2.524 18027 3043 1 5 . 1 1 67 67 GLU H H 67 7.487 7.487 8.727 -1.240 18027 3044 1 5 . 1 1 68 68 PHE N N 68 123.182 123.182 120.986 2.196 18027 3045 1 5 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.322 -0.654 18027 3046 1 5 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.439 -3.010 18027 3047 1 5 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.504 -1.913 18027 3048 1 5 . 1 1 68 68 PHE H H 68 8.066 8.066 7.506 0.560 18027 3049 1 5 . 1 1 69 69 LEU N N 69 119.530 119.530 117.479 2.051 18027 3050 1 5 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.239 -0.284 18027 3051 1 5 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.046 -2.272 18027 3052 1 5 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.482 -2.063 18027 3053 1 5 . 1 1 69 69 LEU H H 69 8.672 8.672 7.771 0.901 18027 3054 1 5 . 1 1 70 70 THR N N 70 113.765 113.765 114.851 -1.086 18027 3055 1 5 . 1 1 70 70 THR HA H 70 3.806 3.806 3.991 -0.185 18027 3056 1 5 . 1 1 70 70 THR CA C 70 63.861 63.861 66.293 -2.432 18027 3057 1 5 . 1 1 70 70 THR CB C 70 66.147 66.147 68.617 -2.470 18027 3058 1 5 . 1 1 70 70 THR H H 70 7.909 7.909 7.800 0.109 18027 3059 1 5 . 1 1 71 71 MET N N 71 119.518 119.518 119.233 0.285 18027 3060 1 5 . 1 1 71 71 MET HA H 71 3.881 3.881 4.196 -0.315 18027 3061 1 5 . 1 1 71 71 MET CA C 71 56.106 56.106 56.474 -0.368 18027 3062 1 5 . 1 1 71 71 MET CB C 71 29.595 29.595 32.310 -2.715 18027 3063 1 5 . 1 1 71 71 MET H H 71 7.120 7.120 7.489 -0.369 18027 3064 1 5 . 1 1 72 72 MET N N 72 116.280 116.280 117.515 -1.235 18027 3065 1 5 . 1 1 72 72 MET HA H 72 3.817 3.817 4.127 -0.310 18027 3066 1 5 . 1 1 72 72 MET CA C 72 55.111 55.111 59.007 -3.896 18027 3067 1 5 . 1 1 72 72 MET CB C 72 27.892 27.892 32.738 -4.846 18027 3068 1 5 . 1 1 72 72 MET H H 72 7.737 7.737 7.615 0.122 18027 3069 1 5 . 1 1 73 73 ALA N N 73 119.984 119.984 118.119 1.865 18027 3070 1 5 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.233 -0.395 18027 3071 1 5 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.568 -1.756 18027 3072 1 5 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.328 -3.126 18027 3073 1 5 . 1 1 73 73 ALA H H 73 8.322 8.322 7.793 0.529 18027 3074 1 5 . 1 1 74 74 ARG N N 74 116.354 116.354 119.019 -2.665 18027 3075 1 5 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.152 -0.314 18027 3076 1 5 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.903 -2.946 18027 3077 1 5 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.551 -5.296 18027 3078 1 5 . 1 1 74 74 ARG H H 74 7.264 7.264 7.422 -0.158 18027 3079 1 5 . 1 1 75 75 LYS N N 75 120.084 120.084 118.388 1.696 18027 3080 1 5 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.211 -0.263 18027 3081 1 5 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.402 -2.543 18027 3082 1 5 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.118 -3.437 18027 3083 1 5 . 1 1 75 75 LYS H H 75 7.756 7.756 7.860 -0.104 18027 3084 1 5 . 1 1 76 76 MET N N 76 117.139 117.139 118.240 -1.101 18027 3085 1 5 . 1 1 76 76 MET HA H 76 4.168 4.168 4.404 -0.236 18027 3086 1 5 . 1 1 76 76 MET CA C 76 54.704 54.704 56.548 -1.844 18027 3087 1 5 . 1 1 76 76 MET CB C 76 30.052 30.052 32.408 -2.356 18027 3088 1 5 . 1 1 76 76 MET H H 76 7.985 7.985 7.551 0.434 18027 3089 1 5 . 1 1 77 77 LYS N N 77 116.614 116.614 117.537 -0.923 18027 3090 1 5 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.448 -0.227 18027 3091 1 5 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.678 -3.494 18027 3092 1 5 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.831 -6.548 18027 3093 1 5 . 1 1 77 77 LYS H H 77 7.275 7.275 7.572 -0.297 18027 3094 1 5 . 1 1 78 78 ASP N N 78 123.187 123.187 119.702 3.485 18027 3095 1 5 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.655 -0.204 18027 3096 1 5 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.858 -3.126 18027 3097 1 5 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.228 -2.837 18027 3098 1 5 . 1 1 78 78 ASP H H 78 8.181 8.181 7.719 0.462 18027 3099 1 5 . 1 1 79 79 THR N N 79 114.325 114.325 110.773 3.552 18027 3100 1 5 . 1 1 79 79 THR HA H 79 4.034 4.034 3.943 0.091 18027 3101 1 5 . 1 1 79 79 THR CA C 79 61.322 61.322 64.292 -2.970 18027 3102 1 5 . 1 1 79 79 THR CB C 79 66.147 66.147 66.991 -0.844 18027 3103 1 5 . 1 1 79 79 THR H H 79 8.377 8.377 8.411 -0.034 18027 3104 1 5 . 1 1 80 80 ASP N N 80 120.844 120.844 119.613 1.231 18027 3105 1 5 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.839 -0.534 18027 3106 1 5 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.512 -2.840 18027 3107 1 5 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.881 -3.290 18027 3108 1 5 . 1 1 80 80 ASP H H 80 8.223 8.223 8.489 -0.266 18027 3109 1 5 . 1 1 81 81 SER N N 81 115.729 115.729 114.693 1.036 18027 3110 1 5 . 1 1 81 81 SER HA H 81 3.911 3.911 4.330 -0.419 18027 3111 1 5 . 1 1 81 81 SER CA C 81 57.939 57.939 59.810 -1.871 18027 3112 1 5 . 1 1 81 81 SER CB C 81 60.664 60.664 62.190 -1.526 18027 3113 1 5 . 1 1 81 81 SER H H 81 7.785 7.785 8.208 -0.423 18027 3114 1 5 . 1 1 82 82 GLU N N 82 121.960 121.960 124.006 -2.046 18027 3115 1 5 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.061 -0.165 18027 3116 1 5 . 1 1 82 82 GLU CA C 82 56.829 56.829 59.240 -2.411 18027 3117 1 5 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.331 -2.706 18027 3118 1 5 . 1 1 82 82 GLU H H 82 8.208 8.208 8.644 -0.436 18027 3119 1 5 . 1 1 83 83 GLU N N 83 118.040 118.040 116.972 1.068 18027 3120 1 5 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.171 -0.333 18027 3121 1 5 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.461 -2.516 18027 3122 1 5 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.248 -2.416 18027 3123 1 5 . 1 1 83 83 GLU H H 83 7.898 7.898 7.766 0.132 18027 3124 1 5 . 1 1 84 84 GLU N N 84 118.825 118.825 120.934 -2.109 18027 3125 1 5 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.369 -3.611 18027 3126 1 5 . 1 1 84 84 GLU CB C 84 30.852 30.852 30.104 0.748 18027 3127 1 5 . 1 1 84 84 GLU H H 84 8.154 8.154 7.902 0.252 18027 3128 1 5 . 1 1 85 85 ILE N N 85 119.310 119.310 119.626 -0.316 18027 3129 1 5 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.909 -0.142 18027 3130 1 5 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.399 -4.541 18027 3131 1 5 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.937 -2.288 18027 3132 1 5 . 1 1 85 85 ILE H H 85 7.793 7.793 7.514 0.279 18027 3133 1 5 . 1 1 86 86 ARG N N 86 120.640 120.640 118.964 1.676 18027 3134 1 5 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.913 0.012 18027 3135 1 5 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.261 -1.996 18027 3136 1 5 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.271 -2.417 18027 3137 1 5 . 1 1 86 86 ARG H H 86 8.177 8.177 7.737 0.440 18027 3138 1 5 . 1 1 87 87 GLU N N 87 119.448 119.448 119.517 -0.069 18027 3139 1 5 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.228 -0.376 18027 3140 1 5 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.440 -1.797 18027 3141 1 5 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.598 -3.544 18027 3142 1 5 . 1 1 87 87 GLU H H 87 7.828 7.828 7.648 0.180 18027 3143 1 5 . 1 1 88 88 ALA N N 88 122.592 122.592 122.014 0.578 18027 3144 1 5 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.407 -0.379 18027 3145 1 5 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.439 -1.843 18027 3146 1 5 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.598 -3.966 18027 3147 1 5 . 1 1 88 88 ALA H H 88 8.283 8.283 7.875 0.408 18027 3148 1 5 . 1 1 89 89 PHE N N 89 119.245 119.245 119.086 0.159 18027 3149 1 5 . 1 1 89 89 PHE HA H 89 3.114 3.114 3.936 -0.822 18027 3150 1 5 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.676 -2.131 18027 3151 1 5 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.629 -3.294 18027 3152 1 5 . 1 1 89 89 PHE H H 89 8.423 8.423 7.675 0.748 18027 3153 1 5 . 1 1 90 90 ARG N N 90 117.455 117.455 118.738 -1.283 18027 3154 1 5 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.337 -0.488 18027 3155 1 5 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.133 -2.820 18027 3156 1 5 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.745 -2.548 18027 3157 1 5 . 1 1 90 90 ARG H H 90 7.840 7.840 7.782 0.058 18027 3158 1 5 . 1 1 91 91 VAL N N 91 118.698 118.698 118.438 0.260 18027 3159 1 5 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.842 -0.590 18027 3160 1 5 . 1 1 91 91 VAL CA C 91 63.333 63.333 65.137 -1.804 18027 3161 1 5 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.573 -3.463 18027 3162 1 5 . 1 1 91 91 VAL H H 91 7.262 7.262 7.451 -0.189 18027 3163 1 5 . 1 1 92 92 PHE N N 92 112.495 112.495 117.429 -4.934 18027 3164 1 5 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.297 -0.363 18027 3165 1 5 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.507 -3.326 18027 3166 1 5 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.986 -0.567 18027 3167 1 5 . 1 1 92 92 PHE H H 92 6.693 6.693 7.545 -0.852 18027 3168 1 5 . 1 1 93 93 ASP N N 93 117.214 117.214 118.465 -1.251 18027 3169 1 5 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.662 -0.228 18027 3170 1 5 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.374 -2.593 18027 3171 1 5 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.214 -2.765 18027 3172 1 5 . 1 1 93 93 ASP H H 93 7.954 7.954 8.059 -0.105 18027 3173 1 5 . 1 1 94 94 LYS N N 94 125.565 125.565 124.157 1.408 18027 3174 1 5 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.298 -0.519 18027 3175 1 5 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.608 -2.929 18027 3176 1 5 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.533 -2.938 18027 3177 1 5 . 1 1 94 94 LYS H H 94 7.671 7.671 8.066 -0.395 18027 3178 1 5 . 1 1 95 95 ASP N N 95 114.041 114.041 116.687 -2.646 18027 3179 1 5 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.783 -0.375 18027 3180 1 5 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.694 -3.481 18027 3181 1 5 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.038 -4.475 18027 3182 1 5 . 1 1 95 95 ASP H H 95 7.944 7.944 7.874 0.070 18027 3183 1 5 . 1 1 96 96 GLY N N 96 108.849 108.849 108.000 0.849 18027 3184 1 5 . 1 1 96 96 GLY CA C 96 44.199 44.199 46.020 -1.821 18027 3185 1 5 . 1 1 96 96 GLY H H 96 7.529 7.529 7.615 -0.086 18027 3186 1 5 . 1 1 97 97 ASN N N 97 119.410 119.410 119.527 -0.117 18027 3187 1 5 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.543 -0.119 18027 3188 1 5 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.117 -3.434 18027 3189 1 5 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.663 -2.100 18027 3190 1 5 . 1 1 97 97 ASN H H 97 8.234 8.234 8.488 -0.254 18027 3191 1 5 . 1 1 98 98 GLY N N 98 112.073 112.073 106.361 5.712 18027 3192 1 5 . 1 1 98 98 GLY CA C 98 42.176 42.176 46.027 -3.851 18027 3193 1 5 . 1 1 98 98 GLY H H 98 10.298 10.298 8.214 2.084 18027 3194 1 5 . 1 1 99 99 TYR N N 99 116.011 116.011 114.835 1.176 18027 3195 1 5 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.123 -0.305 18027 3196 1 5 . 1 1 99 99 TYR CA C 99 53.681 53.681 54.484 -0.804 18027 3197 1 5 . 1 1 99 99 TYR CB C 99 39.875 39.875 39.903 -0.028 18027 3198 1 5 . 1 1 99 99 TYR H H 99 7.497 7.497 6.945 0.552 18027 3199 1 5 . 1 1 100 100 ILE N N 100 126.793 126.793 121.272 5.521 18027 3200 1 5 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.244 0.179 18027 3201 1 5 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.606 -1.977 18027 3202 1 5 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.574 -2.826 18027 3203 1 5 . 1 1 100 100 ILE H H 100 9.833 9.833 7.525 2.308 18027 3204 1 5 . 1 1 101 101 SER N N 101 123.825 123.825 123.758 0.067 18027 3205 1 5 . 1 1 101 101 SER HA H 101 4.657 4.657 4.977 -0.320 18027 3206 1 5 . 1 1 101 101 SER CA C 101 53.060 53.060 58.113 -5.053 18027 3207 1 5 . 1 1 101 101 SER CB C 101 64.091 64.091 64.603 -0.512 18027 3208 1 5 . 1 1 101 101 SER H H 101 8.870 8.870 8.780 0.090 18027 3209 1 5 . 1 1 102 102 ALA N N 102 122.909 122.909 124.568 -1.659 18027 3210 1 5 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.069 -0.304 18027 3211 1 5 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.145 -2.095 18027 3212 1 5 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.393 -3.418 18027 3213 1 5 . 1 1 102 102 ALA H H 102 9.209 9.209 8.684 0.525 18027 3214 1 5 . 1 1 103 103 ALA N N 103 118.692 118.692 119.766 -1.074 18027 3215 1 5 . 1 1 103 103 ALA HA H 103 3.874 3.874 3.954 -0.080 18027 3216 1 5 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.850 -2.365 18027 3217 1 5 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.193 -2.990 18027 3218 1 5 . 1 1 103 103 ALA H H 103 8.146 8.146 8.472 -0.326 18027 3219 1 5 . 1 1 104 104 GLU N N 104 120.098 120.098 118.734 1.364 18027 3220 1 5 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.371 -0.508 18027 3221 1 5 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.862 -2.287 18027 3222 1 5 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.544 -4.175 18027 3223 1 5 . 1 1 104 104 GLU H H 104 7.832 7.832 8.152 -0.320 18027 3224 1 5 . 1 1 105 105 LEU N N 105 121.466 121.466 120.516 0.950 18027 3225 1 5 . 1 1 105 105 LEU HA H 105 4.116 4.116 3.992 0.124 18027 3226 1 5 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.949 -2.252 18027 3227 1 5 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.896 -2.934 18027 3228 1 5 . 1 1 105 105 LEU H H 105 8.300 8.300 7.576 0.724 18027 3229 1 5 . 1 1 106 106 ARG N N 106 118.978 118.978 118.798 0.180 18027 3230 1 5 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.901 -0.049 18027 3231 1 5 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.773 -2.338 18027 3232 1 5 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.947 -2.863 18027 3233 1 5 . 1 1 106 106 ARG H H 106 8.882 8.882 7.690 1.192 18027 3234 1 5 . 1 1 107 107 HIS N N 107 118.543 118.543 117.708 0.835 18027 3235 1 5 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.288 -0.088 18027 3236 1 5 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.918 -3.093 18027 3237 1 5 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.492 -2.752 18027 3238 1 5 . 1 1 107 107 HIS H H 107 7.991 7.991 7.623 0.368 18027 3239 1 5 . 1 1 108 108 VAL N N 108 118.687 118.687 117.590 1.097 18027 3240 1 5 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.666 -0.574 18027 3241 1 5 . 1 1 108 108 VAL CA C 108 64.210 64.210 65.861 -1.651 18027 3242 1 5 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.725 -2.815 18027 3243 1 5 . 1 1 108 108 VAL H H 108 7.425 7.425 7.343 0.082 18027 3244 1 5 . 1 1 109 109 MET N N 109 115.725 115.725 117.548 -1.823 18027 3245 1 5 . 1 1 109 109 MET HA H 109 3.944 3.944 4.299 -0.355 18027 3246 1 5 . 1 1 109 109 MET CA C 109 55.212 55.212 58.740 -3.528 18027 3247 1 5 . 1 1 109 109 MET CB C 109 27.425 27.425 32.589 -5.164 18027 3248 1 5 . 1 1 109 109 MET H H 109 7.972 7.972 7.441 0.531 18027 3249 1 5 . 1 1 110 110 THR N N 110 116.999 116.999 115.933 1.066 18027 3250 1 5 . 1 1 110 110 THR HA H 110 3.852 3.852 4.524 -0.672 18027 3251 1 5 . 1 1 110 110 THR CA C 110 63.918 63.918 65.628 -1.710 18027 3252 1 5 . 1 1 110 110 THR CB C 110 65.844 65.844 68.475 -2.631 18027 3253 1 5 . 1 1 110 110 THR H H 110 8.691 8.691 8.598 0.093 18027 3254 1 5 . 1 1 111 111 ASN N N 111 123.893 123.893 120.497 3.396 18027 3255 1 5 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.563 -0.322 18027 3256 1 5 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.079 -2.130 18027 3257 1 5 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.347 -3.383 18027 3258 1 5 . 1 1 111 111 ASN H H 111 7.911 7.911 8.016 -0.105 18027 3259 1 5 . 1 1 112 112 LEU N N 112 119.244 119.244 117.847 1.397 18027 3260 1 5 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.286 -0.214 18027 3261 1 5 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.094 -2.193 18027 3262 1 5 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.254 -2.721 18027 3263 1 5 . 1 1 112 112 LEU H H 112 7.618 7.618 7.928 -0.310 18027 3264 1 5 . 1 1 113 113 GLY N N 113 107.263 107.263 107.064 0.199 18027 3265 1 5 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.753 -2.316 18027 3266 1 5 . 1 1 113 113 GLY H H 113 7.743 7.743 7.386 0.357 18027 3267 1 5 . 1 1 114 114 GLU N N 114 120.073 120.073 118.854 1.219 18027 3268 1 5 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.598 -0.308 18027 3269 1 5 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.762 -3.236 18027 3270 1 5 . 1 1 114 114 GLU CB C 114 27.539 27.539 33.040 -5.501 18027 3271 1 5 . 1 1 114 114 GLU H H 114 7.857 7.857 7.795 0.062 18027 3272 1 5 . 1 1 115 115 LYS N N 115 124.142 124.142 122.997 1.145 18027 3273 1 5 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.625 -0.405 18027 3274 1 5 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.461 -2.567 18027 3275 1 5 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.503 -4.022 18027 3276 1 5 . 1 1 115 115 LYS H H 115 8.377 8.377 8.479 -0.102 18027 3277 1 5 . 1 1 116 116 LEU N N 116 125.240 125.240 124.380 0.860 18027 3278 1 5 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.583 -0.111 18027 3279 1 5 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.480 -2.042 18027 3280 1 5 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.682 -4.007 18027 3281 1 5 . 1 1 116 116 LEU H H 116 8.002 8.002 8.410 -0.408 18027 3282 1 5 . 1 1 117 117 THR N N 117 113.520 113.520 112.772 0.748 18027 3283 1 5 . 1 1 117 117 THR CA C 117 57.922 57.922 60.603 -2.681 18027 3284 1 5 . 1 1 117 117 THR CB C 117 68.352 68.352 70.438 -2.086 18027 3285 1 5 . 1 1 117 117 THR H H 117 8.927 8.927 8.584 0.343 18027 3286 1 5 . 1 1 118 118 ASP N N 118 120.859 120.859 121.487 -0.628 18027 3287 1 5 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.381 -0.338 18027 3288 1 5 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.945 -2.780 18027 3289 1 5 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.888 -4.114 18027 3290 1 5 . 1 1 118 118 ASP H H 118 8.754 8.754 8.785 -0.031 18027 3291 1 5 . 1 1 119 119 GLU N N 119 119.112 119.112 118.783 0.329 18027 3292 1 5 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.086 -0.159 18027 3293 1 5 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.035 -1.845 18027 3294 1 5 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.500 -3.217 18027 3295 1 5 . 1 1 119 119 GLU H H 119 8.507 8.507 8.769 -0.262 18027 3296 1 5 . 1 1 120 120 GLU N N 120 120.059 120.059 118.314 1.745 18027 3297 1 5 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.141 -0.283 18027 3298 1 5 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.404 -1.945 18027 3299 1 5 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.732 -2.215 18027 3300 1 5 . 1 1 120 120 GLU H H 120 7.809 7.809 7.976 -0.167 18027 3301 1 5 . 1 1 121 121 VAL N N 121 120.512 120.512 119.370 1.142 18027 3302 1 5 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.728 -0.256 18027 3303 1 5 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.394 -2.312 18027 3304 1 5 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.829 -3.262 18027 3305 1 5 . 1 1 121 121 VAL H H 121 7.898 7.898 7.323 0.575 18027 3306 1 5 . 1 1 122 122 ASP N N 122 119.857 119.857 119.951 -0.094 18027 3307 1 5 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.285 -0.117 18027 3308 1 5 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.762 -2.856 18027 3309 1 5 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.669 -3.192 18027 3310 1 5 . 1 1 122 122 ASP H H 122 7.897 7.897 7.904 -0.007 18027 3311 1 5 . 1 1 123 123 GLU N N 123 119.630 119.630 118.659 0.971 18027 3312 1 5 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.110 -0.272 18027 3313 1 5 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.582 -1.505 18027 3314 1 5 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.654 -3.485 18027 3315 1 5 . 1 1 123 123 GLU H H 123 7.963 7.963 7.742 0.221 18027 3316 1 5 . 1 1 124 124 MET N N 124 119.144 119.144 116.940 2.204 18027 3317 1 5 . 1 1 124 124 MET HA H 124 3.859 3.859 4.208 -0.349 18027 3318 1 5 . 1 1 124 124 MET CA C 124 56.508 56.508 58.647 -2.139 18027 3319 1 5 . 1 1 124 124 MET CB C 124 29.253 29.253 33.197 -3.944 18027 3320 1 5 . 1 1 124 124 MET H H 124 7.631 7.631 7.759 -0.128 18027 3321 1 5 . 1 1 125 125 ILE N N 125 117.557 117.557 119.314 -1.757 18027 3322 1 5 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.961 -0.677 18027 3323 1 5 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.194 -3.055 18027 3324 1 5 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.681 -3.631 18027 3325 1 5 . 1 1 125 125 ILE H H 125 7.669 7.669 7.422 0.247 18027 3326 1 5 . 1 1 126 126 ARG N N 126 118.414 118.414 119.835 -1.421 18027 3327 1 5 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.169 -0.311 18027 3328 1 5 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.746 -1.944 18027 3329 1 5 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.725 -2.300 18027 3330 1 5 . 1 1 126 126 ARG H H 126 7.952 7.952 7.504 0.448 18027 3331 1 5 . 1 1 127 127 GLU N N 127 116.143 116.143 117.783 -1.640 18027 3332 1 5 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.318 -0.460 18027 3333 1 5 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.241 -2.026 18027 3334 1 5 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.058 -2.861 18027 3335 1 5 . 1 1 127 127 GLU H H 127 7.294 7.294 8.089 -0.795 18027 3336 1 5 . 1 1 128 128 ALA N N 128 116.994 116.994 119.992 -2.998 18027 3337 1 5 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.680 -0.227 18027 3338 1 5 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.829 -3.657 18027 3339 1 5 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.803 -1.031 18027 3340 1 5 . 1 1 128 128 ALA H H 128 7.110 7.110 7.192 -0.082 18027 3341 1 5 . 1 1 129 129 ASP N N 129 117.846 117.846 121.645 -3.799 18027 3342 1 5 . 1 1 129 129 ASP HA H 129 4.442 4.442 5.213 -0.771 18027 3343 1 5 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.280 -2.647 18027 3344 1 5 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.908 -2.404 18027 3345 1 5 . 1 1 129 129 ASP H H 129 7.508 7.508 8.578 -1.070 18027 3346 1 5 . 1 1 130 130 ILE N N 130 128.118 128.118 121.484 6.634 18027 3347 1 5 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.007 -0.257 18027 3348 1 5 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.775 -3.192 18027 3349 1 5 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.026 -2.263 18027 3350 1 5 . 1 1 130 130 ILE H H 130 8.168 8.168 8.530 -0.362 18027 3351 1 5 . 1 1 131 131 ASP N N 131 116.572 116.572 118.658 -2.086 18027 3352 1 5 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.590 -0.294 18027 3353 1 5 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.353 -2.231 18027 3354 1 5 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.395 -2.918 18027 3355 1 5 . 1 1 131 131 ASP H H 131 8.136 8.136 8.084 0.052 18027 3356 1 5 . 1 1 132 132 GLY N N 132 108.411 108.411 108.716 -0.305 18027 3357 1 5 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.093 -1.586 18027 3358 1 5 . 1 1 132 132 GLY H H 132 7.460 7.460 8.336 -0.876 18027 3359 1 5 . 1 1 133 133 ASP N N 133 120.424 120.424 119.363 1.061 18027 3360 1 5 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.462 -0.166 18027 3361 1 5 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.232 -2.379 18027 3362 1 5 . 1 1 133 133 ASP H H 133 8.177 8.177 7.916 0.261 18027 3363 1 5 . 1 1 134 134 GLY N N 134 112.396 112.396 107.529 4.867 18027 3364 1 5 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.110 -2.057 18027 3365 1 5 . 1 1 134 134 GLY H H 134 10.043 10.043 7.929 2.114 18027 3366 1 5 . 1 1 135 135 GLN N N 135 115.588 115.588 118.754 -3.166 18027 3367 1 5 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.035 -0.231 18027 3368 1 5 . 1 1 135 135 GLN CA C 135 50.415 50.415 54.012 -3.597 18027 3369 1 5 . 1 1 135 135 GLN CB C 135 30.281 30.281 32.714 -2.433 18027 3370 1 5 . 1 1 135 135 GLN H H 135 7.866 7.866 7.769 0.097 18027 3371 1 5 . 1 1 136 136 VAL N N 136 124.910 124.910 121.589 3.321 18027 3372 1 5 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.290 0.709 18027 3373 1 5 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.193 -1.486 18027 3374 1 5 . 1 1 136 136 VAL CB C 136 31.080 31.080 32.034 -0.954 18027 3375 1 5 . 1 1 136 136 VAL H H 136 8.856 8.856 8.680 0.176 18027 3376 1 5 . 1 1 137 137 ASN N N 137 129.009 129.009 124.779 4.230 18027 3377 1 5 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.216 -0.043 18027 3378 1 5 . 1 1 137 137 ASN CA C 137 48.083 48.083 52.472 -4.389 18027 3379 1 5 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.785 -5.151 18027 3380 1 5 . 1 1 137 137 ASN H H 137 9.390 9.390 8.615 0.775 18027 3381 1 5 . 1 1 138 138 TYR N N 138 118.471 118.471 120.983 -2.512 18027 3382 1 5 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.405 0.073 18027 3383 1 5 . 1 1 138 138 TYR CA C 138 59.799 59.799 61.869 -2.070 18027 3384 1 5 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.405 -1.870 18027 3385 1 5 . 1 1 138 138 TYR H H 138 8.075 8.075 9.014 -0.939 18027 3386 1 5 . 1 1 139 139 GLU N N 139 118.535 118.535 119.813 -1.278 18027 3387 1 5 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.046 -0.208 18027 3388 1 5 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.289 -1.758 18027 3389 1 5 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.644 -2.704 18027 3390 1 5 . 1 1 139 139 GLU H H 139 7.925 7.925 8.094 -0.169 18027 3391 1 5 . 1 1 140 140 GLU N N 140 119.583 119.583 119.557 0.026 18027 3392 1 5 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.159 -0.310 18027 3393 1 5 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.745 -2.663 18027 3394 1 5 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.466 -2.955 18027 3395 1 5 . 1 1 140 140 GLU H H 140 8.664 8.664 8.477 0.187 18027 3396 1 5 . 1 1 141 141 PHE N N 141 123.810 123.810 120.447 3.363 18027 3397 1 5 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.219 -0.498 18027 3398 1 5 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.499 -2.407 18027 3399 1 5 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.491 -1.786 18027 3400 1 5 . 1 1 141 141 PHE H H 141 8.395 8.395 8.355 0.040 18027 3401 1 5 . 1 1 142 142 VAL N N 142 118.551 118.551 117.948 0.603 18027 3402 1 5 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.732 -0.640 18027 3403 1 5 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.144 -1.962 18027 3404 1 5 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.646 -2.850 18027 3405 1 5 . 1 1 142 142 VAL H H 142 8.484 8.484 8.373 0.111 18027 3406 1 5 . 1 1 143 143 GLN N N 143 119.672 119.672 118.207 1.465 18027 3407 1 5 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.063 -0.225 18027 3408 1 5 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.239 -1.966 18027 3409 1 5 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.672 -3.760 18027 3410 1 5 . 1 1 143 143 GLN H H 143 7.803 7.803 7.508 0.295 18027 3411 1 5 . 1 1 144 144 MET N N 144 116.710 116.710 116.793 -0.083 18027 3412 1 5 . 1 1 144 144 MET HA H 144 3.943 3.943 4.103 -0.160 18027 3413 1 5 . 1 1 144 144 MET CA C 144 55.387 55.387 58.159 -2.772 18027 3414 1 5 . 1 1 144 144 MET CB C 144 29.709 29.709 32.185 -2.477 18027 3415 1 5 . 1 1 144 144 MET H H 144 7.322 7.322 7.416 -0.094 18027 3416 1 5 . 1 1 145 145 MET N N 145 114.879 114.879 114.917 -0.038 18027 3417 1 5 . 1 1 145 145 MET HA H 145 4.062 4.062 4.422 -0.360 18027 3418 1 5 . 1 1 145 145 MET CA C 145 53.291 53.291 56.302 -3.011 18027 3419 1 5 . 1 1 145 145 MET CB C 145 29.253 29.253 32.913 -3.660 18027 3420 1 5 . 1 1 145 145 MET H H 145 7.467 7.467 7.639 -0.172 18027 3421 1 5 . 1 1 146 146 THR N N 146 108.698 108.698 109.370 -0.672 18027 3422 1 5 . 1 1 146 146 THR HA H 146 4.136 4.136 4.358 -0.222 18027 3423 1 5 . 1 1 146 146 THR CA C 146 59.201 59.201 61.581 -2.380 18027 3424 1 5 . 1 1 146 146 THR CB C 146 67.404 67.404 69.451 -2.047 18027 3425 1 5 . 1 1 146 146 THR H H 146 7.551 7.551 7.605 -0.054 18027 3426 1 5 . 1 1 147 147 ALA N N 147 126.669 126.669 125.693 0.976 18027 3427 1 5 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.407 -0.262 18027 3428 1 5 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.770 -1.698 18027 3429 1 5 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.215 -3.870 18027 3430 1 5 . 1 1 147 147 ALA H H 147 7.596 7.596 7.348 0.248 18027 3431 1 6 . 1 1 2 2 ASP N N 2 120.442 120.442 121.423 -0.981 18027 3432 1 6 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.657 -0.204 18027 3433 1 6 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.525 -2.596 18027 3434 1 6 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.435 -2.930 18027 3435 1 6 . 1 1 2 2 ASP H H 2 8.521 8.521 8.532 -0.011 18027 3436 1 6 . 1 1 3 3 GLN N N 3 119.769 119.769 119.698 0.071 18027 3437 1 6 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.508 -0.290 18027 3438 1 6 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.125 -2.439 18027 3439 1 6 . 1 1 3 3 GLN H H 3 8.199 8.199 7.935 0.264 18027 3440 1 6 . 1 1 4 4 LEU N N 4 120.939 120.939 123.835 -2.896 18027 3441 1 6 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.455 0.028 18027 3442 1 6 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.536 -2.952 18027 3443 1 6 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.028 -2.467 18027 3444 1 6 . 1 1 4 4 LEU H H 4 7.510 7.510 8.379 -0.869 18027 3445 1 6 . 1 1 5 5 THR N N 5 112.777 112.777 112.218 0.559 18027 3446 1 6 . 1 1 5 5 THR HA H 5 4.253 4.253 4.372 -0.119 18027 3447 1 6 . 1 1 5 5 THR CA C 5 57.873 57.873 61.756 -3.883 18027 3448 1 6 . 1 1 5 5 THR CB C 5 68.203 68.203 69.806 -1.603 18027 3449 1 6 . 1 1 5 5 THR H H 5 8.576 8.576 7.967 0.609 18027 3450 1 6 . 1 1 6 6 GLU N N 6 120.254 120.254 120.655 -0.401 18027 3451 1 6 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.180 -0.386 18027 3452 1 6 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.210 -1.565 18027 3453 1 6 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.031 -2.745 18027 3454 1 6 . 1 1 6 6 GLU H H 6 8.874 8.874 8.675 0.199 18027 3455 1 6 . 1 1 7 7 GLU N N 7 119.637 119.637 118.904 0.733 18027 3456 1 6 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.174 -0.278 18027 3457 1 6 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.113 -1.937 18027 3458 1 6 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.440 -3.386 18027 3459 1 6 . 1 1 7 7 GLU H H 7 8.536 8.536 8.416 0.120 18027 3460 1 6 . 1 1 8 8 GLN N N 8 120.086 120.086 119.205 0.881 18027 3461 1 6 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.212 -0.374 18027 3462 1 6 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.278 -1.867 18027 3463 1 6 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.054 -2.429 18027 3464 1 6 . 1 1 8 8 GLN H H 8 7.499 7.499 7.807 -0.308 18027 3465 1 6 . 1 1 9 9 ILE N N 9 120.295 120.295 119.612 0.683 18027 3466 1 6 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.918 -0.251 18027 3467 1 6 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.313 -0.267 18027 3468 1 6 . 1 1 9 9 ILE H H 9 8.405 8.405 8.788 -0.383 18027 3469 1 6 . 1 1 10 10 ALA N N 10 121.503 121.503 121.344 0.159 18027 3470 1 6 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.138 -0.227 18027 3471 1 6 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.200 -2.543 18027 3472 1 6 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.186 -3.211 18027 3473 1 6 . 1 1 10 10 ALA H H 10 7.949 7.949 7.564 0.385 18027 3474 1 6 . 1 1 11 11 GLU N N 11 118.352 118.352 118.746 -0.394 18027 3475 1 6 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.147 -0.309 18027 3476 1 6 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.561 -1.888 18027 3477 1 6 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.738 -2.771 18027 3478 1 6 . 1 1 11 11 GLU H H 11 7.700 7.700 7.942 -0.242 18027 3479 1 6 . 1 1 12 12 PHE N N 12 117.277 117.277 121.134 -3.857 18027 3480 1 6 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.451 0.026 18027 3481 1 6 . 1 1 12 12 PHE CA C 12 59.655 59.655 60.981 -1.326 18027 3482 1 6 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.120 -3.585 18027 3483 1 6 . 1 1 12 12 PHE H H 12 8.211 8.211 7.827 0.384 18027 3484 1 6 . 1 1 13 13 LYS N N 13 122.928 122.928 119.407 3.521 18027 3485 1 6 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.239 0.686 18027 3486 1 6 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.102 -1.948 18027 3487 1 6 . 1 1 13 13 LYS CB C 13 26.169 26.169 31.895 -5.726 18027 3488 1 6 . 1 1 13 13 LYS H H 13 8.925 8.925 7.462 1.463 18027 3489 1 6 . 1 1 14 14 GLU N N 14 119.706 119.706 117.748 1.958 18027 3490 1 6 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.097 -0.239 18027 3491 1 6 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.734 -2.398 18027 3492 1 6 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.834 -3.551 18027 3493 1 6 . 1 1 14 14 GLU H H 14 7.824 7.824 7.639 0.185 18027 3494 1 6 . 1 1 15 15 ALA N N 15 123.880 123.880 121.536 2.344 18027 3495 1 6 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.329 -0.462 18027 3496 1 6 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.428 -1.593 18027 3497 1 6 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.840 -3.637 18027 3498 1 6 . 1 1 15 15 ALA H H 15 8.124 8.124 7.895 0.229 18027 3499 1 6 . 1 1 16 16 PHE N N 16 118.972 118.972 118.213 0.759 18027 3500 1 6 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.026 -0.894 18027 3501 1 6 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.626 -0.643 18027 3502 1 6 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.263 -2.814 18027 3503 1 6 . 1 1 16 16 PHE H H 16 8.446 8.446 8.135 0.311 18027 3504 1 6 . 1 1 17 17 SER N N 17 114.737 114.737 114.375 0.362 18027 3505 1 6 . 1 1 17 17 SER HA H 17 3.902 3.902 4.238 -0.336 18027 3506 1 6 . 1 1 17 17 SER CA C 17 58.999 58.999 61.105 -2.107 18027 3507 1 6 . 1 1 17 17 SER CB C 17 60.436 60.436 63.346 -2.910 18027 3508 1 6 . 1 1 17 17 SER H H 17 7.874 7.874 7.733 0.141 18027 3509 1 6 . 1 1 18 18 LEU N N 18 120.225 120.225 120.077 0.148 18027 3510 1 6 . 1 1 18 18 LEU HA H 18 3.785 3.785 3.983 -0.198 18027 3511 1 6 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.483 -2.754 18027 3512 1 6 . 1 1 18 18 LEU CB C 18 38.162 38.162 41.939 -3.777 18027 3513 1 6 . 1 1 18 18 LEU H H 18 7.183 7.183 7.396 -0.213 18027 3514 1 6 . 1 1 19 19 PHE N N 19 112.357 112.357 111.867 0.490 18027 3515 1 6 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.801 -2.377 18027 3516 1 6 . 1 1 19 19 PHE H H 19 6.977 6.977 7.600 -0.623 18027 3517 1 6 . 1 1 20 20 ASP N N 20 117.274 117.274 119.250 -1.976 18027 3518 1 6 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.993 -0.561 18027 3519 1 6 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.143 -2.631 18027 3520 1 6 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.323 -3.646 18027 3521 1 6 . 1 1 20 20 ASP H H 20 7.446 7.446 7.670 -0.224 18027 3522 1 6 . 1 1 21 21 LYS N N 21 124.296 124.296 120.704 3.592 18027 3523 1 6 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.201 -0.363 18027 3524 1 6 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.577 -1.898 18027 3525 1 6 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.184 -2.588 18027 3526 1 6 . 1 1 21 21 LYS H H 21 7.520 7.520 8.141 -0.621 18027 3527 1 6 . 1 1 22 22 ASP N N 22 113.761 113.761 117.857 -4.096 18027 3528 1 6 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.704 -0.270 18027 3529 1 6 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.995 -4.934 18027 3530 1 6 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.420 -4.857 18027 3531 1 6 . 1 1 22 22 ASP H H 22 7.819 7.819 8.012 -0.193 18027 3532 1 6 . 1 1 23 23 GLY N N 23 108.838 108.838 107.132 1.706 18027 3533 1 6 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.668 -1.363 18027 3534 1 6 . 1 1 23 23 GLY H H 23 7.497 7.497 8.276 -0.779 18027 3535 1 6 . 1 1 24 24 ASP N N 24 120.790 120.790 120.508 0.282 18027 3536 1 6 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.694 -0.344 18027 3537 1 6 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.393 -3.540 18027 3538 1 6 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.964 -4.601 18027 3539 1 6 . 1 1 24 24 ASP H H 24 8.312 8.312 8.248 0.064 18027 3540 1 6 . 1 1 25 25 GLY N N 25 112.499 112.499 110.828 1.671 18027 3541 1 6 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.156 -2.736 18027 3542 1 6 . 1 1 25 25 GLY H H 25 10.352 10.352 8.393 1.959 18027 3543 1 6 . 1 1 26 26 THR N N 26 111.781 111.781 112.120 -0.339 18027 3544 1 6 . 1 1 26 26 THR HA H 26 5.316 5.316 5.647 -0.331 18027 3545 1 6 . 1 1 26 26 THR CA C 26 56.878 56.878 60.709 -3.831 18027 3546 1 6 . 1 1 26 26 THR CB C 26 70.031 70.031 72.500 -2.469 18027 3547 1 6 . 1 1 26 26 THR H H 26 8.018 8.018 8.741 -0.723 18027 3548 1 6 . 1 1 27 27 ILE N N 27 126.162 126.162 124.078 2.084 18027 3549 1 6 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.479 0.179 18027 3550 1 6 . 1 1 27 27 ILE CA C 27 58.477 58.477 59.957 -1.480 18027 3551 1 6 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.305 -1.733 18027 3552 1 6 . 1 1 27 27 ILE H H 27 9.769 9.769 8.505 1.264 18027 3553 1 6 . 1 1 28 28 THR N N 28 116.311 116.311 121.820 -5.509 18027 3554 1 6 . 1 1 28 28 THR HA H 28 4.669 4.669 5.000 -0.331 18027 3555 1 6 . 1 1 28 28 THR CA C 28 56.878 56.878 62.591 -5.713 18027 3556 1 6 . 1 1 28 28 THR CB C 28 69.688 69.688 69.931 -0.243 18027 3557 1 6 . 1 1 28 28 THR H H 28 8.302 8.302 8.654 -0.352 18027 3558 1 6 . 1 1 29 29 THR N N 29 112.465 112.465 115.367 -2.902 18027 3559 1 6 . 1 1 29 29 THR HA H 29 3.633 3.633 3.997 -0.364 18027 3560 1 6 . 1 1 29 29 THR CA C 29 63.820 63.820 66.221 -2.401 18027 3561 1 6 . 1 1 29 29 THR CB C 29 65.160 65.160 68.578 -3.418 18027 3562 1 6 . 1 1 29 29 THR H H 29 9.078 9.078 8.834 0.244 18027 3563 1 6 . 1 1 30 30 LYS N N 30 120.792 120.792 121.214 -0.422 18027 3564 1 6 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.154 -0.199 18027 3565 1 6 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.256 -2.687 18027 3566 1 6 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.479 -1.884 18027 3567 1 6 . 1 1 30 30 LYS H H 30 7.467 7.467 8.434 -0.967 18027 3568 1 6 . 1 1 31 31 GLU N N 31 121.359 121.359 120.089 1.270 18027 3569 1 6 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.183 -0.277 18027 3570 1 6 . 1 1 31 31 GLU CA C 31 56.677 56.677 59.114 -2.437 18027 3571 1 6 . 1 1 31 31 GLU CB C 31 27.082 27.082 28.786 -1.704 18027 3572 1 6 . 1 1 31 31 GLU H H 31 7.574 7.574 8.165 -0.591 18027 3573 1 6 . 1 1 32 32 LEU N N 32 120.087 120.087 121.068 -0.981 18027 3574 1 6 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.324 -0.267 18027 3575 1 6 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.687 -2.115 18027 3576 1 6 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.075 -2.223 18027 3577 1 6 . 1 1 32 32 LEU H H 32 8.712 8.712 8.069 0.643 18027 3578 1 6 . 1 1 33 33 GLY N N 33 105.634 105.634 105.021 0.613 18027 3579 1 6 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.131 -1.494 18027 3580 1 6 . 1 1 33 33 GLY H H 33 8.696 8.696 7.776 0.920 18027 3581 1 6 . 1 1 34 34 THR N N 34 117.265 117.265 118.308 -1.043 18027 3582 1 6 . 1 1 34 34 THR HA H 34 3.810 3.810 3.911 -0.101 18027 3583 1 6 . 1 1 34 34 THR CA C 34 64.259 64.259 66.250 -1.991 18027 3584 1 6 . 1 1 34 34 THR CB C 34 66.033 66.033 68.657 -2.624 18027 3585 1 6 . 1 1 34 34 THR H H 34 7.785 7.785 7.491 0.294 18027 3586 1 6 . 1 1 35 35 VAL N N 35 121.498 121.498 120.150 1.348 18027 3587 1 6 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.751 -0.350 18027 3588 1 6 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.292 -0.984 18027 3589 1 6 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.642 -2.846 18027 3590 1 6 . 1 1 35 35 VAL H H 35 7.268 7.268 7.315 -0.047 18027 3591 1 6 . 1 1 36 36 MET N N 36 117.302 117.302 119.444 -2.142 18027 3592 1 6 . 1 1 36 36 MET HA H 36 3.842 3.842 4.332 -0.490 18027 3593 1 6 . 1 1 36 36 MET CA C 36 56.606 56.606 56.279 0.327 18027 3594 1 6 . 1 1 36 36 MET CB C 36 28.453 28.453 31.883 -3.430 18027 3595 1 6 . 1 1 36 36 MET H H 36 8.487 8.487 7.853 0.634 18027 3596 1 6 . 1 1 37 37 ARG N N 37 118.262 118.262 118.551 -0.289 18027 3597 1 6 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.382 0.275 18027 3598 1 6 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.588 -2.108 18027 3599 1 6 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.203 -3.463 18027 3600 1 6 . 1 1 37 37 ARG H H 37 8.330 8.330 7.630 0.700 18027 3601 1 6 . 1 1 38 38 SER N N 38 117.873 117.873 113.587 4.286 18027 3602 1 6 . 1 1 38 38 SER H H 38 7.815 7.815 7.538 0.277 18027 3603 1 6 . 1 1 39 39 LEU N N 39 117.970 117.970 117.928 0.042 18027 3604 1 6 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.288 -0.216 18027 3605 1 6 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.194 -3.756 18027 3606 1 6 . 1 1 39 39 LEU CB C 39 38.162 38.162 41.891 -3.729 18027 3607 1 6 . 1 1 39 39 LEU H H 39 7.326 7.326 7.869 -0.543 18027 3608 1 6 . 1 1 40 40 GLY N N 40 106.755 106.755 105.574 1.181 18027 3609 1 6 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.653 -1.989 18027 3610 1 6 . 1 1 40 40 GLY H H 40 7.636 7.636 7.592 0.044 18027 3611 1 6 . 1 1 41 41 GLN N N 41 118.316 118.316 119.914 -1.598 18027 3612 1 6 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.527 -0.242 18027 3613 1 6 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.516 -3.663 18027 3614 1 6 . 1 1 41 41 GLN CB C 41 27.311 27.311 32.231 -4.920 18027 3615 1 6 . 1 1 41 41 GLN H H 41 7.827 7.827 7.682 0.145 18027 3616 1 6 . 1 1 42 42 ASN N N 42 115.866 115.866 121.088 -5.222 18027 3617 1 6 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.130 -0.117 18027 3618 1 6 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.418 -2.856 18027 3619 1 6 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.337 -3.018 18027 3620 1 6 . 1 1 42 42 ASN H H 42 8.557 8.557 8.688 -0.131 18027 3621 1 6 . 1 1 44 44 THR N N 44 113.035 113.035 115.090 -2.055 18027 3622 1 6 . 1 1 44 44 THR HA H 44 4.296 4.296 4.451 -0.155 18027 3623 1 6 . 1 1 44 44 THR CA C 44 57.922 57.922 60.531 -2.609 18027 3624 1 6 . 1 1 44 44 THR CB C 44 68.317 68.317 70.706 -2.389 18027 3625 1 6 . 1 1 44 44 THR H H 44 8.694 8.694 8.080 0.614 18027 3626 1 6 . 1 1 45 45 GLU N N 45 120.283 120.283 121.360 -1.077 18027 3627 1 6 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.095 -0.199 18027 3628 1 6 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.728 -2.372 18027 3629 1 6 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.475 -3.759 18027 3630 1 6 . 1 1 45 45 GLU H H 45 8.687 8.687 8.877 -0.190 18027 3631 1 6 . 1 1 46 46 ALA N N 46 120.685 120.685 121.476 -0.791 18027 3632 1 6 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.236 -0.366 18027 3633 1 6 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.745 -2.429 18027 3634 1 6 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.187 -3.098 18027 3635 1 6 . 1 1 46 46 ALA H H 46 8.153 8.153 8.266 -0.113 18027 3636 1 6 . 1 1 47 47 GLU N N 47 118.546 118.546 118.218 0.328 18027 3637 1 6 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.184 -0.325 18027 3638 1 6 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.961 -2.453 18027 3639 1 6 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.324 -2.584 18027 3640 1 6 . 1 1 47 47 GLU H H 47 7.554 7.554 8.427 -0.873 18027 3641 1 6 . 1 1 48 48 LEU N N 48 120.085 120.085 119.669 0.416 18027 3642 1 6 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.046 -0.106 18027 3643 1 6 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.845 -2.477 18027 3644 1 6 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.890 -2.471 18027 3645 1 6 . 1 1 48 48 LEU H H 48 8.247 8.247 8.226 0.021 18027 3646 1 6 . 1 1 49 49 GLN N N 49 118.119 118.119 117.502 0.617 18027 3647 1 6 . 1 1 49 49 GLN HA H 49 3.913 3.913 3.987 -0.074 18027 3648 1 6 . 1 1 49 49 GLN CA C 49 56.703 56.703 59.147 -2.444 18027 3649 1 6 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.450 -2.053 18027 3650 1 6 . 1 1 49 49 GLN H H 49 7.891 7.891 7.807 0.084 18027 3651 1 6 . 1 1 50 50 ASP N N 50 119.263 119.263 120.511 -1.248 18027 3652 1 6 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.459 -0.280 18027 3653 1 6 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.923 -2.047 18027 3654 1 6 . 1 1 50 50 ASP CB C 50 37.248 37.248 41.060 -3.812 18027 3655 1 6 . 1 1 50 50 ASP H H 50 7.803 7.803 7.556 0.247 18027 3656 1 6 . 1 1 51 51 MET N N 51 120.178 120.178 116.747 3.431 18027 3657 1 6 . 1 1 51 51 MET HA H 51 3.966 3.966 4.330 -0.364 18027 3658 1 6 . 1 1 51 51 MET CA C 51 57.074 57.074 56.779 0.295 18027 3659 1 6 . 1 1 51 51 MET CB C 51 29.975 29.975 32.398 -2.423 18027 3660 1 6 . 1 1 51 51 MET H H 51 7.831 7.831 7.546 0.285 18027 3661 1 6 . 1 1 52 52 ILE N N 52 116.856 116.856 121.959 -5.103 18027 3662 1 6 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.672 -0.324 18027 3663 1 6 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.566 -2.891 18027 3664 1 6 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.043 -3.221 18027 3665 1 6 . 1 1 52 52 ILE H H 52 7.703 7.703 7.925 -0.222 18027 3666 1 6 . 1 1 53 53 ASN N N 53 117.417 117.417 114.568 2.849 18027 3667 1 6 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.462 -0.209 18027 3668 1 6 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.572 -2.531 18027 3669 1 6 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.258 -3.179 18027 3670 1 6 . 1 1 53 53 ASN H H 53 8.187 8.187 7.828 0.359 18027 3671 1 6 . 1 1 54 54 GLU N N 54 116.996 116.996 118.882 -1.886 18027 3672 1 6 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.215 -0.356 18027 3673 1 6 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.319 -2.445 18027 3674 1 6 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.462 -4.065 18027 3675 1 6 . 1 1 54 54 GLU H H 54 7.391 7.391 7.452 -0.061 18027 3676 1 6 . 1 1 55 55 VAL N N 55 114.596 114.596 115.256 -0.660 18027 3677 1 6 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.110 -0.123 18027 3678 1 6 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.968 -4.023 18027 3679 1 6 . 1 1 55 55 VAL CB C 55 30.738 30.738 33.052 -2.314 18027 3680 1 6 . 1 1 55 55 VAL H H 55 7.151 7.151 7.456 -0.305 18027 3681 1 6 . 1 1 56 56 ASP N N 56 119.670 119.670 122.325 -2.655 18027 3682 1 6 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.435 -0.118 18027 3683 1 6 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.376 -4.019 18027 3684 1 6 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.409 -3.818 18027 3685 1 6 . 1 1 56 56 ASP H H 56 7.913 7.913 8.240 -0.327 18027 3686 1 6 . 1 1 57 57 ALA N N 57 131.491 131.491 129.403 2.088 18027 3687 1 6 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.190 -0.089 18027 3688 1 6 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.749 -2.566 18027 3689 1 6 . 1 1 57 57 ALA H H 57 8.126 8.126 8.632 -0.506 18027 3690 1 6 . 1 1 58 58 ASP N N 58 114.255 114.255 117.245 -2.990 18027 3691 1 6 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.654 -0.220 18027 3692 1 6 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.982 -5.022 18027 3693 1 6 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.917 -5.354 18027 3694 1 6 . 1 1 58 58 ASP H H 58 8.130 8.130 8.151 -0.021 18027 3695 1 6 . 1 1 59 59 GLY N N 59 108.987 108.987 108.597 0.390 18027 3696 1 6 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.339 -1.043 18027 3697 1 6 . 1 1 59 59 GLY H H 59 7.504 7.504 8.738 -1.234 18027 3698 1 6 . 1 1 60 60 ASN N N 60 118.770 118.770 118.137 0.633 18027 3699 1 6 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.869 -0.440 18027 3700 1 6 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.621 -2.762 18027 3701 1 6 . 1 1 60 60 ASN CB C 60 34.507 34.507 39.811 -5.304 18027 3702 1 6 . 1 1 60 60 ASN H H 60 8.095 8.095 8.475 -0.380 18027 3703 1 6 . 1 1 61 61 GLY N N 61 112.773 112.773 108.460 4.313 18027 3704 1 6 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.486 -2.775 18027 3705 1 6 . 1 1 61 61 GLY H H 61 10.280 10.280 8.580 1.700 18027 3706 1 6 . 1 1 62 62 THR N N 62 108.117 108.117 111.469 -3.352 18027 3707 1 6 . 1 1 62 62 THR HA H 62 4.672 4.672 5.062 -0.390 18027 3708 1 6 . 1 1 62 62 THR CA C 62 56.878 56.878 60.071 -3.192 18027 3709 1 6 . 1 1 62 62 THR CB C 62 69.688 69.688 71.572 -1.883 18027 3710 1 6 . 1 1 62 62 THR H H 62 7.475 7.475 7.861 -0.386 18027 3711 1 6 . 1 1 63 63 ILE N N 63 122.642 122.642 123.493 -0.851 18027 3712 1 6 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.368 0.428 18027 3713 1 6 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.476 -2.664 18027 3714 1 6 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.043 -3.680 18027 3715 1 6 . 1 1 63 63 ILE H H 63 8.449 8.449 8.263 0.186 18027 3716 1 6 . 1 1 64 64 ASP N N 64 128.633 128.633 126.897 1.736 18027 3717 1 6 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.380 -0.064 18027 3718 1 6 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.349 -4.069 18027 3719 1 6 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.566 -3.805 18027 3720 1 6 . 1 1 64 64 ASP H H 64 9.011 9.011 8.712 0.299 18027 3721 1 6 . 1 1 65 65 PHE N N 65 118.892 118.892 116.701 2.191 18027 3722 1 6 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.441 -0.674 18027 3723 1 6 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.969 -0.756 18027 3724 1 6 . 1 1 65 65 PHE H H 65 8.766 8.766 8.378 0.388 18027 3725 1 6 . 1 1 67 67 GLU N N 67 118.675 118.675 116.062 2.613 18027 3726 1 6 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.306 -0.469 18027 3727 1 6 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.369 -0.764 18027 3728 1 6 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.451 -2.054 18027 3729 1 6 . 1 1 67 67 GLU H H 67 7.487 7.487 8.807 -1.320 18027 3730 1 6 . 1 1 68 68 PHE N N 68 123.182 123.182 120.847 2.335 18027 3731 1 6 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.325 -0.657 18027 3732 1 6 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.455 -3.026 18027 3733 1 6 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.865 -2.274 18027 3734 1 6 . 1 1 68 68 PHE H H 68 8.066 8.066 7.633 0.433 18027 3735 1 6 . 1 1 69 69 LEU N N 69 119.530 119.530 117.736 1.794 18027 3736 1 6 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.079 -0.124 18027 3737 1 6 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.081 -2.307 18027 3738 1 6 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.423 -2.004 18027 3739 1 6 . 1 1 69 69 LEU H H 69 8.672 8.672 7.738 0.934 18027 3740 1 6 . 1 1 70 70 THR N N 70 113.765 113.765 114.607 -0.842 18027 3741 1 6 . 1 1 70 70 THR HA H 70 3.806 3.806 3.948 -0.142 18027 3742 1 6 . 1 1 70 70 THR CA C 70 63.861 63.861 66.611 -2.750 18027 3743 1 6 . 1 1 70 70 THR CB C 70 66.147 66.147 68.510 -2.363 18027 3744 1 6 . 1 1 70 70 THR H H 70 7.909 7.909 7.819 0.090 18027 3745 1 6 . 1 1 71 71 MET N N 71 119.518 119.518 119.428 0.090 18027 3746 1 6 . 1 1 71 71 MET HA H 71 3.881 3.881 4.182 -0.301 18027 3747 1 6 . 1 1 71 71 MET CA C 71 56.106 56.106 58.384 -2.278 18027 3748 1 6 . 1 1 71 71 MET CB C 71 29.595 29.595 32.589 -2.994 18027 3749 1 6 . 1 1 71 71 MET H H 71 7.120 7.120 7.380 -0.260 18027 3750 1 6 . 1 1 72 72 MET N N 72 116.280 116.280 117.834 -1.554 18027 3751 1 6 . 1 1 72 72 MET HA H 72 3.817 3.817 4.204 -0.387 18027 3752 1 6 . 1 1 72 72 MET CA C 72 55.111 55.111 57.295 -2.184 18027 3753 1 6 . 1 1 72 72 MET CB C 72 27.892 27.892 32.117 -4.226 18027 3754 1 6 . 1 1 72 72 MET H H 72 7.737 7.737 7.571 0.166 18027 3755 1 6 . 1 1 73 73 ALA N N 73 119.984 119.984 118.662 1.322 18027 3756 1 6 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.132 -0.294 18027 3757 1 6 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.714 -1.902 18027 3758 1 6 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.325 -3.122 18027 3759 1 6 . 1 1 73 73 ALA H H 73 8.322 8.322 7.678 0.644 18027 3760 1 6 . 1 1 74 74 ARG N N 74 116.354 116.354 118.805 -2.451 18027 3761 1 6 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.133 -0.295 18027 3762 1 6 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.959 -3.002 18027 3763 1 6 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.406 -5.151 18027 3764 1 6 . 1 1 74 74 ARG H H 74 7.264 7.264 7.390 -0.126 18027 3765 1 6 . 1 1 75 75 LYS N N 75 120.084 120.084 118.453 1.631 18027 3766 1 6 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.247 -0.299 18027 3767 1 6 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.229 -2.370 18027 3768 1 6 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.052 -3.371 18027 3769 1 6 . 1 1 75 75 LYS H H 75 7.756 7.756 7.680 0.076 18027 3770 1 6 . 1 1 76 76 MET N N 76 117.139 117.139 117.773 -0.634 18027 3771 1 6 . 1 1 76 76 MET HA H 76 4.168 4.168 4.398 -0.230 18027 3772 1 6 . 1 1 76 76 MET CA C 76 54.704 54.704 56.638 -1.934 18027 3773 1 6 . 1 1 76 76 MET CB C 76 30.052 30.052 32.146 -2.094 18027 3774 1 6 . 1 1 76 76 MET H H 76 7.985 7.985 7.537 0.448 18027 3775 1 6 . 1 1 77 77 LYS N N 77 116.614 116.614 117.727 -1.113 18027 3776 1 6 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.420 -0.199 18027 3777 1 6 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.530 -3.346 18027 3778 1 6 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.900 -6.617 18027 3779 1 6 . 1 1 77 77 LYS H H 77 7.275 7.275 7.533 -0.258 18027 3780 1 6 . 1 1 78 78 ASP N N 78 123.187 123.187 120.349 2.838 18027 3781 1 6 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.687 -0.236 18027 3782 1 6 . 1 1 78 78 ASP CA C 78 51.732 51.732 55.163 -3.432 18027 3783 1 6 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.444 -3.053 18027 3784 1 6 . 1 1 78 78 ASP H H 78 8.181 8.181 7.758 0.423 18027 3785 1 6 . 1 1 79 79 THR N N 79 114.325 114.325 110.843 3.482 18027 3786 1 6 . 1 1 79 79 THR HA H 79 4.034 4.034 3.920 0.114 18027 3787 1 6 . 1 1 79 79 THR CA C 79 61.322 61.322 64.046 -2.724 18027 3788 1 6 . 1 1 79 79 THR CB C 79 66.147 66.147 67.276 -1.129 18027 3789 1 6 . 1 1 79 79 THR H H 79 8.377 8.377 8.395 -0.018 18027 3790 1 6 . 1 1 80 80 ASP N N 80 120.844 120.844 119.901 0.943 18027 3791 1 6 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.851 -0.546 18027 3792 1 6 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.569 -2.897 18027 3793 1 6 . 1 1 80 80 ASP CB C 80 37.591 37.591 41.101 -3.510 18027 3794 1 6 . 1 1 80 80 ASP H H 80 8.223 8.223 8.528 -0.305 18027 3795 1 6 . 1 1 81 81 SER N N 81 115.729 115.729 114.567 1.162 18027 3796 1 6 . 1 1 81 81 SER HA H 81 3.911 3.911 4.759 -0.848 18027 3797 1 6 . 1 1 81 81 SER CA C 81 57.939 57.939 59.642 -1.702 18027 3798 1 6 . 1 1 81 81 SER CB C 81 60.664 60.664 62.909 -2.245 18027 3799 1 6 . 1 1 81 81 SER H H 81 7.785 7.785 8.167 -0.382 18027 3800 1 6 . 1 1 82 82 GLU N N 82 121.960 121.960 122.736 -0.776 18027 3801 1 6 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.162 -0.266 18027 3802 1 6 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.664 -1.835 18027 3803 1 6 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.422 -2.797 18027 3804 1 6 . 1 1 82 82 GLU H H 82 8.208 8.208 8.423 -0.215 18027 3805 1 6 . 1 1 83 83 GLU N N 83 118.040 118.040 116.903 1.137 18027 3806 1 6 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.185 -0.347 18027 3807 1 6 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.276 -2.331 18027 3808 1 6 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.320 -2.488 18027 3809 1 6 . 1 1 83 83 GLU H H 83 7.898 7.898 7.683 0.215 18027 3810 1 6 . 1 1 84 84 GLU N N 84 118.825 118.825 118.260 0.565 18027 3811 1 6 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.572 -3.814 18027 3812 1 6 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.962 0.890 18027 3813 1 6 . 1 1 84 84 GLU H H 84 8.154 8.154 7.569 0.585 18027 3814 1 6 . 1 1 85 85 ILE N N 85 119.310 119.310 119.600 -0.290 18027 3815 1 6 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.939 -0.172 18027 3816 1 6 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.241 -4.383 18027 3817 1 6 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.843 -2.194 18027 3818 1 6 . 1 1 85 85 ILE H H 85 7.793 7.793 7.249 0.544 18027 3819 1 6 . 1 1 86 86 ARG N N 86 120.640 120.640 119.285 1.355 18027 3820 1 6 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.971 -0.046 18027 3821 1 6 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.440 -2.175 18027 3822 1 6 . 1 1 86 86 ARG CB C 86 26.854 26.854 30.023 -3.169 18027 3823 1 6 . 1 1 86 86 ARG H H 86 8.177 8.177 7.779 0.398 18027 3824 1 6 . 1 1 87 87 GLU N N 87 119.448 119.448 118.757 0.691 18027 3825 1 6 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.218 -0.366 18027 3826 1 6 . 1 1 87 87 GLU CA C 87 56.643 56.643 59.218 -2.575 18027 3827 1 6 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.157 -3.103 18027 3828 1 6 . 1 1 87 87 GLU H H 87 7.828 7.828 7.538 0.290 18027 3829 1 6 . 1 1 88 88 ALA N N 88 122.592 122.592 121.921 0.671 18027 3830 1 6 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.358 -0.330 18027 3831 1 6 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.475 -1.879 18027 3832 1 6 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.620 -3.988 18027 3833 1 6 . 1 1 88 88 ALA H H 88 8.283 8.283 7.409 0.874 18027 3834 1 6 . 1 1 89 89 PHE N N 89 119.245 119.245 118.715 0.530 18027 3835 1 6 . 1 1 89 89 PHE HA H 89 3.114 3.114 3.965 -0.851 18027 3836 1 6 . 1 1 89 89 PHE CA C 89 59.545 59.545 60.959 -1.414 18027 3837 1 6 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.541 -3.206 18027 3838 1 6 . 1 1 89 89 PHE H H 89 8.423 8.423 7.803 0.620 18027 3839 1 6 . 1 1 90 90 ARG N N 90 117.455 117.455 118.706 -1.251 18027 3840 1 6 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.301 -0.452 18027 3841 1 6 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.083 -2.770 18027 3842 1 6 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.611 -2.414 18027 3843 1 6 . 1 1 90 90 ARG H H 90 7.840 7.840 7.846 -0.006 18027 3844 1 6 . 1 1 91 91 VAL N N 91 118.698 118.698 117.898 0.800 18027 3845 1 6 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.767 -0.515 18027 3846 1 6 . 1 1 91 91 VAL CA C 91 63.333 63.333 65.109 -1.776 18027 3847 1 6 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.444 -3.334 18027 3848 1 6 . 1 1 91 91 VAL H H 91 7.262 7.262 7.315 -0.053 18027 3849 1 6 . 1 1 92 92 PHE N N 92 112.495 112.495 117.062 -4.567 18027 3850 1 6 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.256 -0.322 18027 3851 1 6 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.313 -3.132 18027 3852 1 6 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.579 -0.160 18027 3853 1 6 . 1 1 92 92 PHE H H 92 6.693 6.693 7.265 -0.572 18027 3854 1 6 . 1 1 93 93 ASP N N 93 117.214 117.214 118.093 -0.879 18027 3855 1 6 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.775 -0.341 18027 3856 1 6 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.225 -2.444 18027 3857 1 6 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.431 -2.982 18027 3858 1 6 . 1 1 93 93 ASP H H 93 7.954 7.954 7.830 0.124 18027 3859 1 6 . 1 1 94 94 LYS N N 94 125.565 125.565 123.626 1.939 18027 3860 1 6 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.275 -0.496 18027 3861 1 6 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.297 -2.618 18027 3862 1 6 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.470 -2.875 18027 3863 1 6 . 1 1 94 94 LYS H H 94 7.671 7.671 8.230 -0.559 18027 3864 1 6 . 1 1 95 95 ASP N N 95 114.041 114.041 117.179 -3.138 18027 3865 1 6 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.695 -0.287 18027 3866 1 6 . 1 1 95 95 ASP CA C 95 50.213 50.213 54.152 -3.939 18027 3867 1 6 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.151 -4.588 18027 3868 1 6 . 1 1 95 95 ASP H H 95 7.944 7.944 8.031 -0.087 18027 3869 1 6 . 1 1 96 96 GLY N N 96 108.849 108.849 107.415 1.434 18027 3870 1 6 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.890 -1.691 18027 3871 1 6 . 1 1 96 96 GLY H H 96 7.529 7.529 8.347 -0.818 18027 3872 1 6 . 1 1 97 97 ASN N N 97 119.410 119.410 118.975 0.435 18027 3873 1 6 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.646 -0.222 18027 3874 1 6 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.562 -3.879 18027 3875 1 6 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.852 -2.289 18027 3876 1 6 . 1 1 97 97 ASN H H 97 8.234 8.234 8.405 -0.171 18027 3877 1 6 . 1 1 98 98 GLY N N 98 112.073 112.073 106.338 5.735 18027 3878 1 6 . 1 1 98 98 GLY CA C 98 42.176 42.176 46.120 -3.944 18027 3879 1 6 . 1 1 98 98 GLY H H 98 10.298 10.298 8.198 2.100 18027 3880 1 6 . 1 1 99 99 TYR N N 99 116.011 116.011 118.092 -2.081 18027 3881 1 6 . 1 1 99 99 TYR HA H 99 4.818 4.818 4.993 -0.175 18027 3882 1 6 . 1 1 99 99 TYR CA C 99 53.681 53.681 56.690 -3.009 18027 3883 1 6 . 1 1 99 99 TYR CB C 99 39.875 39.875 42.290 -2.415 18027 3884 1 6 . 1 1 99 99 TYR H H 99 7.497 7.497 7.587 -0.090 18027 3885 1 6 . 1 1 100 100 ILE N N 100 126.793 126.793 122.950 3.843 18027 3886 1 6 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.121 0.302 18027 3887 1 6 . 1 1 100 100 ILE CA C 100 58.629 58.629 61.071 -2.442 18027 3888 1 6 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.588 -2.840 18027 3889 1 6 . 1 1 100 100 ILE H H 100 9.833 9.833 8.406 1.427 18027 3890 1 6 . 1 1 101 101 SER N N 101 123.825 123.825 123.774 0.051 18027 3891 1 6 . 1 1 101 101 SER HA H 101 4.657 4.657 4.635 0.022 18027 3892 1 6 . 1 1 101 101 SER CA C 101 53.060 53.060 58.222 -5.162 18027 3893 1 6 . 1 1 101 101 SER CB C 101 64.091 64.091 64.380 -0.289 18027 3894 1 6 . 1 1 101 101 SER H H 101 8.870 8.870 8.585 0.285 18027 3895 1 6 . 1 1 102 102 ALA N N 102 122.909 122.909 125.723 -2.814 18027 3896 1 6 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.122 -0.358 18027 3897 1 6 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.111 -2.061 18027 3898 1 6 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.555 -3.580 18027 3899 1 6 . 1 1 102 102 ALA H H 102 9.209 9.209 9.044 0.165 18027 3900 1 6 . 1 1 103 103 ALA N N 103 118.692 118.692 120.830 -2.138 18027 3901 1 6 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.172 -0.298 18027 3902 1 6 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.602 -2.117 18027 3903 1 6 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.413 -3.210 18027 3904 1 6 . 1 1 103 103 ALA H H 103 8.146 8.146 8.449 -0.303 18027 3905 1 6 . 1 1 104 104 GLU N N 104 120.098 120.098 118.958 1.140 18027 3906 1 6 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.162 -0.299 18027 3907 1 6 . 1 1 104 104 GLU CA C 104 56.575 56.575 59.127 -2.552 18027 3908 1 6 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.446 -4.077 18027 3909 1 6 . 1 1 104 104 GLU H H 104 7.832 7.832 8.505 -0.673 18027 3910 1 6 . 1 1 105 105 LEU N N 105 121.466 121.466 120.286 1.180 18027 3911 1 6 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.065 0.051 18027 3912 1 6 . 1 1 105 105 LEU CA C 105 55.696 55.696 58.008 -2.312 18027 3913 1 6 . 1 1 105 105 LEU CB C 105 38.962 38.962 42.024 -3.062 18027 3914 1 6 . 1 1 105 105 LEU H H 105 8.300 8.300 7.681 0.619 18027 3915 1 6 . 1 1 106 106 ARG N N 106 118.978 118.978 118.357 0.621 18027 3916 1 6 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.921 -0.069 18027 3917 1 6 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.790 -2.356 18027 3918 1 6 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.996 -2.912 18027 3919 1 6 . 1 1 106 106 ARG H H 106 8.882 8.882 7.608 1.274 18027 3920 1 6 . 1 1 107 107 HIS N N 107 118.543 118.543 117.261 1.282 18027 3921 1 6 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.284 -0.084 18027 3922 1 6 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.902 -3.077 18027 3923 1 6 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.397 -2.657 18027 3924 1 6 . 1 1 107 107 HIS H H 107 7.991 7.991 7.679 0.312 18027 3925 1 6 . 1 1 108 108 VAL N N 108 118.687 118.687 117.614 1.073 18027 3926 1 6 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.780 -0.688 18027 3927 1 6 . 1 1 108 108 VAL CA C 108 64.210 64.210 65.700 -1.490 18027 3928 1 6 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.462 -2.552 18027 3929 1 6 . 1 1 108 108 VAL H H 108 7.425 7.425 8.203 -0.778 18027 3930 1 6 . 1 1 109 109 MET N N 109 115.725 115.725 117.723 -1.998 18027 3931 1 6 . 1 1 109 109 MET HA H 109 3.944 3.944 4.236 -0.292 18027 3932 1 6 . 1 1 109 109 MET CA C 109 55.212 55.212 59.050 -3.838 18027 3933 1 6 . 1 1 109 109 MET CB C 109 27.425 27.425 33.013 -5.588 18027 3934 1 6 . 1 1 109 109 MET H H 109 7.972 7.972 7.591 0.381 18027 3935 1 6 . 1 1 110 110 THR N N 110 116.999 116.999 114.900 2.099 18027 3936 1 6 . 1 1 110 110 THR HA H 110 3.852 3.852 4.592 -0.740 18027 3937 1 6 . 1 1 110 110 THR CA C 110 63.918 63.918 64.438 -0.520 18027 3938 1 6 . 1 1 110 110 THR CB C 110 65.844 65.844 68.629 -2.784 18027 3939 1 6 . 1 1 110 110 THR H H 110 8.691 8.691 8.520 0.171 18027 3940 1 6 . 1 1 111 111 ASN N N 111 123.893 123.893 120.543 3.350 18027 3941 1 6 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.611 -0.370 18027 3942 1 6 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.056 -2.107 18027 3943 1 6 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.712 -3.748 18027 3944 1 6 . 1 1 111 111 ASN H H 111 7.911 7.911 7.979 -0.068 18027 3945 1 6 . 1 1 112 112 LEU N N 112 119.244 119.244 117.152 2.092 18027 3946 1 6 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.279 -0.207 18027 3947 1 6 . 1 1 112 112 LEU CA C 112 52.901 52.901 54.951 -2.050 18027 3948 1 6 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.312 -2.779 18027 3949 1 6 . 1 1 112 112 LEU H H 112 7.618 7.618 7.287 0.331 18027 3950 1 6 . 1 1 113 113 GLY N N 113 107.263 107.263 105.937 1.326 18027 3951 1 6 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.676 -2.240 18027 3952 1 6 . 1 1 113 113 GLY H H 113 7.743 7.743 7.347 0.396 18027 3953 1 6 . 1 1 114 114 GLU N N 114 120.073 120.073 118.913 1.160 18027 3954 1 6 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.558 -0.268 18027 3955 1 6 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.618 -3.092 18027 3956 1 6 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.976 -5.437 18027 3957 1 6 . 1 1 114 114 GLU H H 114 7.857 7.857 7.853 0.004 18027 3958 1 6 . 1 1 115 115 LYS N N 115 124.142 124.142 123.619 0.523 18027 3959 1 6 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.536 -0.316 18027 3960 1 6 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.624 -2.730 18027 3961 1 6 . 1 1 115 115 LYS CB C 115 29.481 29.481 32.918 -3.437 18027 3962 1 6 . 1 1 115 115 LYS H H 115 8.377 8.377 8.531 -0.154 18027 3963 1 6 . 1 1 116 116 LEU N N 116 125.240 125.240 125.446 -0.206 18027 3964 1 6 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.644 -0.172 18027 3965 1 6 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.726 -2.288 18027 3966 1 6 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.767 -4.092 18027 3967 1 6 . 1 1 116 116 LEU H H 116 8.002 8.002 8.525 -0.523 18027 3968 1 6 . 1 1 117 117 THR N N 117 113.520 113.520 113.043 0.477 18027 3969 1 6 . 1 1 117 117 THR CA C 117 57.922 57.922 60.422 -2.500 18027 3970 1 6 . 1 1 117 117 THR CB C 117 68.352 68.352 70.341 -1.989 18027 3971 1 6 . 1 1 117 117 THR H H 117 8.927 8.927 8.437 0.490 18027 3972 1 6 . 1 1 118 118 ASP N N 118 120.859 120.859 120.716 0.143 18027 3973 1 6 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.430 -0.387 18027 3974 1 6 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.504 -2.339 18027 3975 1 6 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.956 -4.182 18027 3976 1 6 . 1 1 118 118 ASP H H 118 8.754 8.754 8.733 0.021 18027 3977 1 6 . 1 1 119 119 GLU N N 119 119.112 119.112 118.674 0.438 18027 3978 1 6 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.064 -0.137 18027 3979 1 6 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.983 -1.793 18027 3980 1 6 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.445 -3.162 18027 3981 1 6 . 1 1 119 119 GLU H H 119 8.507 8.507 8.771 -0.264 18027 3982 1 6 . 1 1 120 120 GLU N N 120 120.059 120.059 118.068 1.991 18027 3983 1 6 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.160 -0.302 18027 3984 1 6 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.410 -1.951 18027 3985 1 6 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.878 -2.361 18027 3986 1 6 . 1 1 120 120 GLU H H 120 7.809 7.809 7.595 0.214 18027 3987 1 6 . 1 1 121 121 VAL N N 121 120.512 120.512 118.500 2.012 18027 3988 1 6 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.802 -0.330 18027 3989 1 6 . 1 1 121 121 VAL CA C 121 64.082 64.082 65.265 -1.183 18027 3990 1 6 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.810 -3.243 18027 3991 1 6 . 1 1 121 121 VAL H H 121 7.898 7.898 7.229 0.669 18027 3992 1 6 . 1 1 122 122 ASP N N 122 119.857 119.857 119.793 0.064 18027 3993 1 6 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.357 -0.189 18027 3994 1 6 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.817 -2.911 18027 3995 1 6 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.984 -3.507 18027 3996 1 6 . 1 1 122 122 ASP H H 122 7.897 7.897 7.789 0.108 18027 3997 1 6 . 1 1 123 123 GLU N N 123 119.630 119.630 118.037 1.593 18027 3998 1 6 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.074 -0.236 18027 3999 1 6 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.854 -1.777 18027 4000 1 6 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.533 -3.364 18027 4001 1 6 . 1 1 123 123 GLU H H 123 7.963 7.963 7.621 0.342 18027 4002 1 6 . 1 1 124 124 MET N N 124 119.144 119.144 116.707 2.437 18027 4003 1 6 . 1 1 124 124 MET HA H 124 3.859 3.859 4.265 -0.406 18027 4004 1 6 . 1 1 124 124 MET CA C 124 56.508 56.508 57.275 -0.767 18027 4005 1 6 . 1 1 124 124 MET CB C 124 29.253 29.253 32.751 -3.498 18027 4006 1 6 . 1 1 124 124 MET H H 124 7.631 7.631 7.449 0.182 18027 4007 1 6 . 1 1 125 125 ILE N N 125 117.557 117.557 119.792 -2.235 18027 4008 1 6 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.673 -0.389 18027 4009 1 6 . 1 1 125 125 ILE CA C 125 61.139 61.139 65.093 -3.954 18027 4010 1 6 . 1 1 125 125 ILE CB C 125 34.050 34.050 38.000 -3.950 18027 4011 1 6 . 1 1 125 125 ILE H H 125 7.669 7.669 7.323 0.346 18027 4012 1 6 . 1 1 126 126 ARG N N 126 118.414 118.414 120.223 -1.809 18027 4013 1 6 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.515 -0.657 18027 4014 1 6 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.638 -1.836 18027 4015 1 6 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.657 -2.232 18027 4016 1 6 . 1 1 126 126 ARG H H 126 7.952 7.952 7.690 0.262 18027 4017 1 6 . 1 1 127 127 GLU N N 127 116.143 116.143 118.537 -2.394 18027 4018 1 6 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.236 -0.378 18027 4019 1 6 . 1 1 127 127 GLU CA C 127 56.215 56.215 57.684 -1.469 18027 4020 1 6 . 1 1 127 127 GLU CB C 127 27.197 27.197 29.952 -2.755 18027 4021 1 6 . 1 1 127 127 GLU H H 127 7.294 7.294 8.053 -0.759 18027 4022 1 6 . 1 1 128 128 ALA N N 128 116.994 116.994 120.289 -3.295 18027 4023 1 6 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.446 0.007 18027 4024 1 6 . 1 1 128 128 ALA CA C 128 48.172 48.172 52.025 -3.853 18027 4025 1 6 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.977 -1.205 18027 4026 1 6 . 1 1 128 128 ALA H H 128 7.110 7.110 7.567 -0.457 18027 4027 1 6 . 1 1 129 129 ASP N N 129 117.846 117.846 120.688 -2.842 18027 4028 1 6 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.615 -0.173 18027 4029 1 6 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.416 -2.783 18027 4030 1 6 . 1 1 129 129 ASP CB C 129 38.505 38.505 39.834 -1.329 18027 4031 1 6 . 1 1 129 129 ASP H H 129 7.508 7.508 8.426 -0.918 18027 4032 1 6 . 1 1 130 130 ILE N N 130 128.118 128.118 119.979 8.139 18027 4033 1 6 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.057 -0.307 18027 4034 1 6 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.605 -3.022 18027 4035 1 6 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.347 -2.584 18027 4036 1 6 . 1 1 130 130 ILE H H 130 8.168 8.168 7.854 0.314 18027 4037 1 6 . 1 1 131 131 ASP N N 131 116.572 116.572 118.879 -2.307 18027 4038 1 6 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.642 -0.346 18027 4039 1 6 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.179 -2.057 18027 4040 1 6 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.527 -3.050 18027 4041 1 6 . 1 1 131 131 ASP H H 131 8.136 8.136 8.242 -0.106 18027 4042 1 6 . 1 1 132 132 GLY N N 132 108.411 108.411 108.380 0.031 18027 4043 1 6 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.312 -1.805 18027 4044 1 6 . 1 1 132 132 GLY H H 132 7.460 7.460 8.269 -0.809 18027 4045 1 6 . 1 1 133 133 ASP N N 133 120.424 120.424 119.511 0.913 18027 4046 1 6 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.561 -0.265 18027 4047 1 6 . 1 1 133 133 ASP CA C 133 50.853 50.853 54.101 -3.248 18027 4048 1 6 . 1 1 133 133 ASP H H 133 8.177 8.177 8.012 0.165 18027 4049 1 6 . 1 1 134 134 GLY N N 134 112.396 112.396 106.100 6.296 18027 4050 1 6 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.221 -2.168 18027 4051 1 6 . 1 1 134 134 GLY H H 134 10.043 10.043 8.593 1.450 18027 4052 1 6 . 1 1 135 135 GLN N N 135 115.588 115.588 117.301 -1.713 18027 4053 1 6 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.490 -0.686 18027 4054 1 6 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.597 -3.182 18027 4055 1 6 . 1 1 135 135 GLN CB C 135 30.281 30.281 34.005 -3.724 18027 4056 1 6 . 1 1 135 135 GLN H H 135 7.866 7.866 7.732 0.134 18027 4057 1 6 . 1 1 136 136 VAL N N 136 124.910 124.910 121.287 3.623 18027 4058 1 6 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.481 0.518 18027 4059 1 6 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.388 -1.681 18027 4060 1 6 . 1 1 136 136 VAL CB C 136 31.080 31.080 32.370 -1.290 18027 4061 1 6 . 1 1 136 136 VAL H H 136 8.856 8.856 8.568 0.288 18027 4062 1 6 . 1 1 137 137 ASN N N 137 129.009 129.009 124.184 4.825 18027 4063 1 6 . 1 1 137 137 ASN HA H 137 5.173 5.173 4.920 0.253 18027 4064 1 6 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.526 -3.443 18027 4065 1 6 . 1 1 137 137 ASN CB C 137 35.634 35.634 39.906 -4.272 18027 4066 1 6 . 1 1 137 137 ASN H H 137 9.390 9.390 8.471 0.919 18027 4067 1 6 . 1 1 138 138 TYR N N 138 118.471 118.471 116.386 2.085 18027 4068 1 6 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.114 0.364 18027 4069 1 6 . 1 1 138 138 TYR CA C 138 59.799 59.799 60.180 -0.381 18027 4070 1 6 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.296 -1.761 18027 4071 1 6 . 1 1 138 138 TYR H H 138 8.075 8.075 8.309 -0.234 18027 4072 1 6 . 1 1 139 139 GLU N N 139 118.535 118.535 119.602 -1.067 18027 4073 1 6 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.043 -0.205 18027 4074 1 6 . 1 1 139 139 GLU CA C 139 57.532 57.532 58.810 -1.278 18027 4075 1 6 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.947 -3.007 18027 4076 1 6 . 1 1 139 139 GLU H H 139 7.925 7.925 7.491 0.434 18027 4077 1 6 . 1 1 140 140 GLU N N 140 119.583 119.583 119.578 0.005 18027 4078 1 6 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.089 -0.240 18027 4079 1 6 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.759 -2.677 18027 4080 1 6 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.787 -3.276 18027 4081 1 6 . 1 1 140 140 GLU H H 140 8.664 8.664 8.376 0.288 18027 4082 1 6 . 1 1 141 141 PHE N N 141 123.810 123.810 118.921 4.889 18027 4083 1 6 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.352 -0.631 18027 4084 1 6 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.116 -2.024 18027 4085 1 6 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.482 -1.777 18027 4086 1 6 . 1 1 141 141 PHE H H 141 8.395 8.395 8.396 -0.001 18027 4087 1 6 . 1 1 142 142 VAL N N 142 118.551 118.551 118.418 0.133 18027 4088 1 6 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.770 -0.678 18027 4089 1 6 . 1 1 142 142 VAL CA C 142 64.182 64.182 65.941 -1.759 18027 4090 1 6 . 1 1 142 142 VAL CB C 142 28.796 28.796 32.045 -3.249 18027 4091 1 6 . 1 1 142 142 VAL H H 142 8.484 8.484 7.765 0.719 18027 4092 1 6 . 1 1 143 143 GLN N N 143 119.672 119.672 118.605 1.067 18027 4093 1 6 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.024 -0.186 18027 4094 1 6 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.264 -1.991 18027 4095 1 6 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.686 -3.775 18027 4096 1 6 . 1 1 143 143 GLN H H 143 7.803 7.803 7.541 0.262 18027 4097 1 6 . 1 1 144 144 MET N N 144 116.710 116.710 117.500 -0.790 18027 4098 1 6 . 1 1 144 144 MET HA H 144 3.943 3.943 4.063 -0.120 18027 4099 1 6 . 1 1 144 144 MET CA C 144 55.387 55.387 58.376 -2.989 18027 4100 1 6 . 1 1 144 144 MET CB C 144 29.709 29.709 32.411 -2.702 18027 4101 1 6 . 1 1 144 144 MET H H 144 7.322 7.322 7.591 -0.269 18027 4102 1 6 . 1 1 145 145 MET N N 145 114.879 114.879 115.037 -0.158 18027 4103 1 6 . 1 1 145 145 MET HA H 145 4.062 4.062 4.481 -0.419 18027 4104 1 6 . 1 1 145 145 MET CA C 145 53.291 53.291 56.206 -2.915 18027 4105 1 6 . 1 1 145 145 MET CB C 145 29.253 29.253 33.017 -3.764 18027 4106 1 6 . 1 1 145 145 MET H H 145 7.467 7.467 7.679 -0.212 18027 4107 1 6 . 1 1 146 146 THR N N 146 108.698 108.698 110.261 -1.563 18027 4108 1 6 . 1 1 146 146 THR HA H 146 4.136 4.136 4.292 -0.156 18027 4109 1 6 . 1 1 146 146 THR CA C 146 59.201 59.201 61.675 -2.474 18027 4110 1 6 . 1 1 146 146 THR CB C 146 67.404 67.404 69.418 -2.014 18027 4111 1 6 . 1 1 146 146 THR H H 146 7.551 7.551 7.532 0.019 18027 4112 1 6 . 1 1 147 147 ALA N N 147 126.669 126.669 124.526 2.143 18027 4113 1 6 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.366 -0.221 18027 4114 1 6 . 1 1 147 147 ALA CA C 147 50.073 50.073 52.018 -1.945 18027 4115 1 6 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.909 -3.564 18027 4116 1 6 . 1 1 147 147 ALA H H 147 7.596 7.596 7.333 0.263 18027 4117 1 7 . 1 1 2 2 ASP N N 2 120.442 120.442 120.265 0.177 18027 4118 1 7 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.501 -0.048 18027 4119 1 7 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.503 -2.574 18027 4120 1 7 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.342 -2.837 18027 4121 1 7 . 1 1 2 2 ASP H H 2 8.521 8.521 8.359 0.162 18027 4122 1 7 . 1 1 3 3 GLN N N 3 119.769 119.769 121.401 -1.632 18027 4123 1 7 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.494 -0.276 18027 4124 1 7 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.395 -2.709 18027 4125 1 7 . 1 1 3 3 GLN H H 3 8.199 8.199 8.429 -0.230 18027 4126 1 7 . 1 1 4 4 LEU N N 4 120.939 120.939 123.120 -2.181 18027 4127 1 7 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.464 0.019 18027 4128 1 7 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.404 -2.820 18027 4129 1 7 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.302 -2.741 18027 4130 1 7 . 1 1 4 4 LEU H H 4 7.510 7.510 8.411 -0.901 18027 4131 1 7 . 1 1 5 5 THR N N 5 112.777 112.777 113.836 -1.059 18027 4132 1 7 . 1 1 5 5 THR HA H 5 4.253 4.253 4.569 -0.316 18027 4133 1 7 . 1 1 5 5 THR CA C 5 57.873 57.873 61.255 -3.382 18027 4134 1 7 . 1 1 5 5 THR CB C 5 68.203 68.203 70.567 -2.364 18027 4135 1 7 . 1 1 5 5 THR H H 5 8.576 8.576 8.222 0.354 18027 4136 1 7 . 1 1 6 6 GLU N N 6 120.254 120.254 119.745 0.509 18027 4137 1 7 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.052 -0.258 18027 4138 1 7 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.221 -1.576 18027 4139 1 7 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.222 -2.936 18027 4140 1 7 . 1 1 6 6 GLU H H 6 8.874 8.874 8.857 0.017 18027 4141 1 7 . 1 1 7 7 GLU N N 7 119.637 119.637 118.964 0.673 18027 4142 1 7 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.160 -0.264 18027 4143 1 7 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.276 -2.100 18027 4144 1 7 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.186 -3.132 18027 4145 1 7 . 1 1 7 7 GLU H H 7 8.536 8.536 8.329 0.207 18027 4146 1 7 . 1 1 8 8 GLN N N 8 120.086 120.086 118.747 1.339 18027 4147 1 7 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.215 -0.377 18027 4148 1 7 . 1 1 8 8 GLN CA C 8 56.411 56.411 57.773 -1.362 18027 4149 1 7 . 1 1 8 8 GLN CB C 8 26.625 26.625 28.839 -2.214 18027 4150 1 7 . 1 1 8 8 GLN H H 8 7.499 7.499 7.747 -0.248 18027 4151 1 7 . 1 1 9 9 ILE N N 9 120.295 120.295 119.624 0.671 18027 4152 1 7 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.865 -0.198 18027 4153 1 7 . 1 1 9 9 ILE CA C 9 64.046 64.046 63.843 0.203 18027 4154 1 7 . 1 1 9 9 ILE H H 9 8.405 8.405 8.803 -0.398 18027 4155 1 7 . 1 1 10 10 ALA N N 10 121.503 121.503 121.303 0.200 18027 4156 1 7 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.162 -0.251 18027 4157 1 7 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.285 -2.628 18027 4158 1 7 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.153 -3.178 18027 4159 1 7 . 1 1 10 10 ALA H H 10 7.949 7.949 7.551 0.398 18027 4160 1 7 . 1 1 11 11 GLU N N 11 118.352 118.352 117.882 0.470 18027 4161 1 7 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.180 -0.342 18027 4162 1 7 . 1 1 11 11 GLU CA C 11 56.673 56.673 59.024 -2.351 18027 4163 1 7 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.559 -2.591 18027 4164 1 7 . 1 1 11 11 GLU H H 11 7.700 7.700 7.992 -0.292 18027 4165 1 7 . 1 1 12 12 PHE N N 12 117.277 117.277 120.759 -3.482 18027 4166 1 7 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.414 0.063 18027 4167 1 7 . 1 1 12 12 PHE CA C 12 59.655 59.655 60.714 -1.059 18027 4168 1 7 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.055 -3.520 18027 4169 1 7 . 1 1 12 12 PHE H H 12 8.211 8.211 7.397 0.814 18027 4170 1 7 . 1 1 13 13 LYS N N 13 122.928 122.928 119.403 3.525 18027 4171 1 7 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.159 0.766 18027 4172 1 7 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.134 -1.980 18027 4173 1 7 . 1 1 13 13 LYS CB C 13 26.169 26.169 31.843 -5.674 18027 4174 1 7 . 1 1 13 13 LYS H H 13 8.925 8.925 7.327 1.598 18027 4175 1 7 . 1 1 14 14 GLU N N 14 119.706 119.706 118.079 1.627 18027 4176 1 7 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.119 -0.261 18027 4177 1 7 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.541 -2.204 18027 4178 1 7 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.682 -3.399 18027 4179 1 7 . 1 1 14 14 GLU H H 14 7.824 7.824 7.604 0.220 18027 4180 1 7 . 1 1 15 15 ALA N N 15 123.880 123.880 121.874 2.006 18027 4181 1 7 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.336 -0.469 18027 4182 1 7 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.336 -1.501 18027 4183 1 7 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.872 -3.669 18027 4184 1 7 . 1 1 15 15 ALA H H 15 8.124 8.124 7.971 0.153 18027 4185 1 7 . 1 1 16 16 PHE N N 16 118.972 118.972 118.958 0.014 18027 4186 1 7 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.027 -0.895 18027 4187 1 7 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.669 -0.686 18027 4188 1 7 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.145 -2.696 18027 4189 1 7 . 1 1 16 16 PHE H H 16 8.446 8.446 8.221 0.225 18027 4190 1 7 . 1 1 17 17 SER N N 17 114.737 114.737 112.840 1.897 18027 4191 1 7 . 1 1 17 17 SER HA H 17 3.902 3.902 4.275 -0.373 18027 4192 1 7 . 1 1 17 17 SER CA C 17 58.999 58.999 59.992 -0.993 18027 4193 1 7 . 1 1 17 17 SER CB C 17 60.436 60.436 62.817 -2.381 18027 4194 1 7 . 1 1 17 17 SER H H 17 7.874 7.874 7.902 -0.028 18027 4195 1 7 . 1 1 18 18 LEU N N 18 120.225 120.225 120.794 -0.569 18027 4196 1 7 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.059 -0.274 18027 4197 1 7 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.404 -2.675 18027 4198 1 7 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.193 -4.031 18027 4199 1 7 . 1 1 18 18 LEU H H 18 7.183 7.183 7.330 -0.147 18027 4200 1 7 . 1 1 19 19 PHE N N 19 112.357 112.357 113.566 -1.209 18027 4201 1 7 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.531 -2.107 18027 4202 1 7 . 1 1 19 19 PHE H H 19 6.977 6.977 7.464 -0.487 18027 4203 1 7 . 1 1 20 20 ASP N N 20 117.274 117.274 120.383 -3.109 18027 4204 1 7 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.802 -0.370 18027 4205 1 7 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.917 -3.405 18027 4206 1 7 . 1 1 20 20 ASP CB C 20 36.677 36.677 39.805 -3.128 18027 4207 1 7 . 1 1 20 20 ASP H H 20 7.446 7.446 7.634 -0.188 18027 4208 1 7 . 1 1 21 21 LYS N N 21 124.296 124.296 120.201 4.095 18027 4209 1 7 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.179 -0.341 18027 4210 1 7 . 1 1 21 21 LYS CA C 21 55.679 55.679 58.000 -2.321 18027 4211 1 7 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.437 -2.842 18027 4212 1 7 . 1 1 21 21 LYS H H 21 7.520 7.520 7.723 -0.203 18027 4213 1 7 . 1 1 22 22 ASP N N 22 113.761 113.761 117.560 -3.799 18027 4214 1 7 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.660 -0.226 18027 4215 1 7 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.377 -4.316 18027 4216 1 7 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.441 -4.878 18027 4217 1 7 . 1 1 22 22 ASP H H 22 7.819 7.819 7.859 -0.040 18027 4218 1 7 . 1 1 23 23 GLY N N 23 108.838 108.838 108.133 0.705 18027 4219 1 7 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.749 -1.444 18027 4220 1 7 . 1 1 23 23 GLY H H 23 7.497 7.497 8.184 -0.687 18027 4221 1 7 . 1 1 24 24 ASP N N 24 120.790 120.790 119.828 0.962 18027 4222 1 7 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.788 -0.438 18027 4223 1 7 . 1 1 24 24 ASP CA C 24 50.853 50.853 53.924 -3.071 18027 4224 1 7 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.441 -4.078 18027 4225 1 7 . 1 1 24 24 ASP H H 24 8.312 8.312 8.498 -0.186 18027 4226 1 7 . 1 1 25 25 GLY N N 25 112.499 112.499 109.702 2.797 18027 4227 1 7 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.221 -2.801 18027 4228 1 7 . 1 1 25 25 GLY H H 25 10.352 10.352 8.153 2.199 18027 4229 1 7 . 1 1 26 26 THR N N 26 111.781 111.781 111.930 -0.149 18027 4230 1 7 . 1 1 26 26 THR HA H 26 5.316 5.316 5.687 -0.371 18027 4231 1 7 . 1 1 26 26 THR CA C 26 56.878 56.878 60.783 -3.905 18027 4232 1 7 . 1 1 26 26 THR CB C 26 70.031 70.031 72.321 -2.290 18027 4233 1 7 . 1 1 26 26 THR H H 26 8.018 8.018 9.117 -1.099 18027 4234 1 7 . 1 1 27 27 ILE N N 27 126.162 126.162 123.777 2.385 18027 4235 1 7 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.506 0.152 18027 4236 1 7 . 1 1 27 27 ILE CA C 27 58.477 58.477 58.283 0.194 18027 4237 1 7 . 1 1 27 27 ILE CB C 27 37.572 37.572 37.712 -0.140 18027 4238 1 7 . 1 1 27 27 ILE H H 27 9.769 9.769 8.626 1.143 18027 4239 1 7 . 1 1 28 28 THR N N 28 116.311 116.311 118.126 -1.815 18027 4240 1 7 . 1 1 28 28 THR HA H 28 4.669 4.669 5.005 -0.336 18027 4241 1 7 . 1 1 28 28 THR CA C 28 56.878 56.878 61.724 -4.846 18027 4242 1 7 . 1 1 28 28 THR CB C 28 69.688 69.688 70.167 -0.479 18027 4243 1 7 . 1 1 28 28 THR H H 28 8.302 8.302 8.571 -0.269 18027 4244 1 7 . 1 1 29 29 THR N N 29 112.465 112.465 113.381 -0.916 18027 4245 1 7 . 1 1 29 29 THR HA H 29 3.633 3.633 4.054 -0.421 18027 4246 1 7 . 1 1 29 29 THR CA C 29 63.820 63.820 65.790 -1.970 18027 4247 1 7 . 1 1 29 29 THR CB C 29 65.160 65.160 68.556 -3.396 18027 4248 1 7 . 1 1 29 29 THR H H 29 9.078 9.078 8.555 0.523 18027 4249 1 7 . 1 1 30 30 LYS N N 30 120.792 120.792 120.229 0.563 18027 4250 1 7 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.173 -0.218 18027 4251 1 7 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.031 -2.462 18027 4252 1 7 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.613 -2.018 18027 4253 1 7 . 1 1 30 30 LYS H H 30 7.467 7.467 8.133 -0.666 18027 4254 1 7 . 1 1 31 31 GLU N N 31 121.359 121.359 120.126 1.233 18027 4255 1 7 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.140 -0.234 18027 4256 1 7 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.770 -2.093 18027 4257 1 7 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.288 -2.206 18027 4258 1 7 . 1 1 31 31 GLU H H 31 7.574 7.574 7.664 -0.090 18027 4259 1 7 . 1 1 32 32 LEU N N 32 120.087 120.087 120.618 -0.531 18027 4260 1 7 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.381 -0.324 18027 4261 1 7 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.746 -2.174 18027 4262 1 7 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.108 -2.256 18027 4263 1 7 . 1 1 32 32 LEU H H 32 8.712 8.712 7.670 1.042 18027 4264 1 7 . 1 1 33 33 GLY N N 33 105.634 105.634 104.970 0.664 18027 4265 1 7 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.087 -1.450 18027 4266 1 7 . 1 1 33 33 GLY H H 33 8.696 8.696 7.720 0.976 18027 4267 1 7 . 1 1 34 34 THR N N 34 117.265 117.265 118.695 -1.430 18027 4268 1 7 . 1 1 34 34 THR HA H 34 3.810 3.810 3.962 -0.152 18027 4269 1 7 . 1 1 34 34 THR CA C 34 64.259 64.259 66.514 -2.255 18027 4270 1 7 . 1 1 34 34 THR CB C 34 66.033 66.033 68.628 -2.595 18027 4271 1 7 . 1 1 34 34 THR H H 34 7.785 7.785 7.727 0.058 18027 4272 1 7 . 1 1 35 35 VAL N N 35 121.498 121.498 120.310 1.188 18027 4273 1 7 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.847 -0.446 18027 4274 1 7 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.446 -1.138 18027 4275 1 7 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.273 -2.477 18027 4276 1 7 . 1 1 35 35 VAL H H 35 7.268 7.268 7.377 -0.109 18027 4277 1 7 . 1 1 36 36 MET N N 36 117.302 117.302 117.249 0.053 18027 4278 1 7 . 1 1 36 36 MET HA H 36 3.842 3.842 4.289 -0.447 18027 4279 1 7 . 1 1 36 36 MET CA C 36 56.606 56.606 57.239 -0.633 18027 4280 1 7 . 1 1 36 36 MET CB C 36 28.453 28.453 31.459 -3.006 18027 4281 1 7 . 1 1 36 36 MET H H 36 8.487 8.487 7.536 0.951 18027 4282 1 7 . 1 1 37 37 ARG N N 37 118.262 118.262 119.430 -1.168 18027 4283 1 7 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.355 0.302 18027 4284 1 7 . 1 1 37 37 ARG CA C 37 56.480 56.480 59.046 -2.566 18027 4285 1 7 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.366 -3.626 18027 4286 1 7 . 1 1 37 37 ARG H H 37 8.330 8.330 7.608 0.722 18027 4287 1 7 . 1 1 38 38 SER N N 38 117.873 117.873 113.500 4.373 18027 4288 1 7 . 1 1 38 38 SER H H 38 7.815 7.815 7.586 0.229 18027 4289 1 7 . 1 1 39 39 LEU N N 39 117.970 117.970 118.587 -0.617 18027 4290 1 7 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.350 -0.278 18027 4291 1 7 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.215 -3.777 18027 4292 1 7 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.408 -4.246 18027 4293 1 7 . 1 1 39 39 LEU H H 39 7.326 7.326 7.229 0.097 18027 4294 1 7 . 1 1 40 40 GLY N N 40 106.755 106.755 105.809 0.946 18027 4295 1 7 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.856 -2.192 18027 4296 1 7 . 1 1 40 40 GLY H H 40 7.636 7.636 7.652 -0.016 18027 4297 1 7 . 1 1 41 41 GLN N N 41 118.316 118.316 119.609 -1.293 18027 4298 1 7 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.587 -0.302 18027 4299 1 7 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.159 -3.306 18027 4300 1 7 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.866 -4.555 18027 4301 1 7 . 1 1 41 41 GLN H H 41 7.827 7.827 8.058 -0.231 18027 4302 1 7 . 1 1 42 42 ASN N N 42 115.866 115.866 120.552 -4.686 18027 4303 1 7 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.082 -0.069 18027 4304 1 7 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.664 -3.102 18027 4305 1 7 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.501 -3.183 18027 4306 1 7 . 1 1 42 42 ASN H H 42 8.557 8.557 8.669 -0.112 18027 4307 1 7 . 1 1 44 44 THR N N 44 113.035 113.035 114.508 -1.473 18027 4308 1 7 . 1 1 44 44 THR HA H 44 4.296 4.296 4.481 -0.185 18027 4309 1 7 . 1 1 44 44 THR CA C 44 57.922 57.922 60.732 -2.810 18027 4310 1 7 . 1 1 44 44 THR CB C 44 68.317 68.317 70.766 -2.450 18027 4311 1 7 . 1 1 44 44 THR H H 44 8.694 8.694 7.921 0.773 18027 4312 1 7 . 1 1 45 45 GLU N N 45 120.283 120.283 121.250 -0.967 18027 4313 1 7 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.099 -0.203 18027 4314 1 7 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.659 -2.303 18027 4315 1 7 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.561 -3.845 18027 4316 1 7 . 1 1 45 45 GLU H H 45 8.687 8.687 8.831 -0.144 18027 4317 1 7 . 1 1 46 46 ALA N N 46 120.685 120.685 121.634 -0.949 18027 4318 1 7 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.256 -0.386 18027 4319 1 7 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.575 -2.259 18027 4320 1 7 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.008 -2.919 18027 4321 1 7 . 1 1 46 46 ALA H H 46 8.153 8.153 8.260 -0.107 18027 4322 1 7 . 1 1 47 47 GLU N N 47 118.546 118.546 117.933 0.613 18027 4323 1 7 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.184 -0.325 18027 4324 1 7 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.895 -2.387 18027 4325 1 7 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.267 -2.527 18027 4326 1 7 . 1 1 47 47 GLU H H 47 7.554 7.554 8.465 -0.911 18027 4327 1 7 . 1 1 48 48 LEU N N 48 120.085 120.085 119.160 0.925 18027 4328 1 7 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.148 -0.208 18027 4329 1 7 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.734 -2.366 18027 4330 1 7 . 1 1 48 48 LEU CB C 48 39.419 39.419 42.053 -2.634 18027 4331 1 7 . 1 1 48 48 LEU H H 48 8.247 8.247 7.810 0.437 18027 4332 1 7 . 1 1 49 49 GLN N N 49 118.119 118.119 116.202 1.917 18027 4333 1 7 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.017 -0.104 18027 4334 1 7 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.461 -1.758 18027 4335 1 7 . 1 1 49 49 GLN CB C 49 26.397 26.397 27.945 -1.548 18027 4336 1 7 . 1 1 49 49 GLN H H 49 7.891 7.891 7.728 0.163 18027 4337 1 7 . 1 1 50 50 ASP N N 50 119.263 119.263 121.611 -2.348 18027 4338 1 7 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.452 -0.273 18027 4339 1 7 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.751 -1.875 18027 4340 1 7 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.964 -3.716 18027 4341 1 7 . 1 1 50 50 ASP H H 50 7.803 7.803 7.617 0.186 18027 4342 1 7 . 1 1 51 51 MET N N 51 120.178 120.178 117.078 3.100 18027 4343 1 7 . 1 1 51 51 MET HA H 51 3.966 3.966 4.228 -0.262 18027 4344 1 7 . 1 1 51 51 MET CA C 51 57.074 57.074 58.521 -1.447 18027 4345 1 7 . 1 1 51 51 MET CB C 51 29.975 29.975 33.133 -3.158 18027 4346 1 7 . 1 1 51 51 MET H H 51 7.831 7.831 7.464 0.367 18027 4347 1 7 . 1 1 52 52 ILE N N 52 116.856 116.856 121.375 -4.519 18027 4348 1 7 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.666 -0.318 18027 4349 1 7 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.203 -2.528 18027 4350 1 7 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.168 -3.346 18027 4351 1 7 . 1 1 52 52 ILE H H 52 7.703 7.703 7.656 0.047 18027 4352 1 7 . 1 1 53 53 ASN N N 53 117.417 117.417 114.617 2.800 18027 4353 1 7 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.451 -0.198 18027 4354 1 7 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.604 -2.563 18027 4355 1 7 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.253 -3.175 18027 4356 1 7 . 1 1 53 53 ASN H H 53 8.187 8.187 7.834 0.353 18027 4357 1 7 . 1 1 54 54 GLU N N 54 116.996 116.996 118.666 -1.670 18027 4358 1 7 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.203 -0.344 18027 4359 1 7 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.496 -2.622 18027 4360 1 7 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.460 -4.063 18027 4361 1 7 . 1 1 54 54 GLU H H 54 7.391 7.391 7.445 -0.054 18027 4362 1 7 . 1 1 55 55 VAL N N 55 114.596 114.596 114.303 0.293 18027 4363 1 7 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.150 -0.163 18027 4364 1 7 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.466 -3.521 18027 4365 1 7 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.644 -1.906 18027 4366 1 7 . 1 1 55 55 VAL H H 55 7.151 7.151 7.492 -0.341 18027 4367 1 7 . 1 1 56 56 ASP N N 56 119.670 119.670 122.276 -2.606 18027 4368 1 7 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.404 -0.087 18027 4369 1 7 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.590 -4.234 18027 4370 1 7 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.233 -3.642 18027 4371 1 7 . 1 1 56 56 ASP H H 56 7.913 7.913 8.229 -0.316 18027 4372 1 7 . 1 1 57 57 ALA N N 57 131.491 131.491 128.708 2.783 18027 4373 1 7 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.154 -0.053 18027 4374 1 7 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.711 -2.528 18027 4375 1 7 . 1 1 57 57 ALA H H 57 8.126 8.126 8.751 -0.625 18027 4376 1 7 . 1 1 58 58 ASP N N 58 114.255 114.255 117.865 -3.610 18027 4377 1 7 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.648 -0.214 18027 4378 1 7 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.243 -4.283 18027 4379 1 7 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.789 -5.226 18027 4380 1 7 . 1 1 58 58 ASP H H 58 8.130 8.130 8.183 -0.053 18027 4381 1 7 . 1 1 59 59 GLY N N 59 108.987 108.987 107.181 1.806 18027 4382 1 7 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.306 -1.010 18027 4383 1 7 . 1 1 59 59 GLY H H 59 7.504 7.504 8.479 -0.975 18027 4384 1 7 . 1 1 60 60 ASN N N 60 118.770 118.770 119.968 -1.198 18027 4385 1 7 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.883 -0.454 18027 4386 1 7 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.387 -2.528 18027 4387 1 7 . 1 1 60 60 ASN CB C 60 34.507 34.507 39.769 -5.262 18027 4388 1 7 . 1 1 60 60 ASN H H 60 8.095 8.095 8.743 -0.648 18027 4389 1 7 . 1 1 61 61 GLY N N 61 112.773 112.773 109.092 3.681 18027 4390 1 7 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.342 -2.630 18027 4391 1 7 . 1 1 61 61 GLY H H 61 10.280 10.280 8.671 1.609 18027 4392 1 7 . 1 1 62 62 THR N N 62 108.117 108.117 110.718 -2.601 18027 4393 1 7 . 1 1 62 62 THR HA H 62 4.672 4.672 5.030 -0.358 18027 4394 1 7 . 1 1 62 62 THR CA C 62 56.878 56.878 59.752 -2.874 18027 4395 1 7 . 1 1 62 62 THR CB C 62 69.688 69.688 71.736 -2.048 18027 4396 1 7 . 1 1 62 62 THR H H 62 7.475 7.475 7.733 -0.258 18027 4397 1 7 . 1 1 63 63 ILE N N 63 122.642 122.642 123.173 -0.531 18027 4398 1 7 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.379 0.417 18027 4399 1 7 . 1 1 63 63 ILE CA C 63 57.812 57.812 59.997 -2.185 18027 4400 1 7 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.242 -3.878 18027 4401 1 7 . 1 1 63 63 ILE H H 63 8.449 8.449 8.523 -0.074 18027 4402 1 7 . 1 1 64 64 ASP N N 64 128.633 128.633 126.007 2.626 18027 4403 1 7 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.282 0.034 18027 4404 1 7 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.211 -3.931 18027 4405 1 7 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.577 -3.816 18027 4406 1 7 . 1 1 64 64 ASP H H 64 9.011 9.011 8.464 0.547 18027 4407 1 7 . 1 1 65 65 PHE N N 65 118.892 118.892 116.555 2.337 18027 4408 1 7 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.665 -0.898 18027 4409 1 7 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.846 -0.633 18027 4410 1 7 . 1 1 65 65 PHE H H 65 8.766 8.766 8.482 0.284 18027 4411 1 7 . 1 1 67 67 GLU N N 67 118.675 118.675 115.667 3.008 18027 4412 1 7 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.306 -0.469 18027 4413 1 7 . 1 1 67 67 GLU CA C 67 56.605 56.605 56.993 -0.388 18027 4414 1 7 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.317 -1.921 18027 4415 1 7 . 1 1 67 67 GLU H H 67 7.487 7.487 8.821 -1.334 18027 4416 1 7 . 1 1 68 68 PHE N N 68 123.182 123.182 121.545 1.637 18027 4417 1 7 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.314 -0.646 18027 4418 1 7 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.678 -3.249 18027 4419 1 7 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.852 -2.261 18027 4420 1 7 . 1 1 68 68 PHE H H 68 8.066 8.066 7.719 0.347 18027 4421 1 7 . 1 1 69 69 LEU N N 69 119.530 119.530 117.896 1.634 18027 4422 1 7 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.121 -0.166 18027 4423 1 7 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.033 -2.259 18027 4424 1 7 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.380 -1.961 18027 4425 1 7 . 1 1 69 69 LEU H H 69 8.672 8.672 7.803 0.869 18027 4426 1 7 . 1 1 70 70 THR N N 70 113.765 113.765 114.700 -0.935 18027 4427 1 7 . 1 1 70 70 THR HA H 70 3.806 3.806 3.990 -0.184 18027 4428 1 7 . 1 1 70 70 THR CA C 70 63.861 63.861 66.305 -2.444 18027 4429 1 7 . 1 1 70 70 THR CB C 70 66.147 66.147 68.472 -2.325 18027 4430 1 7 . 1 1 70 70 THR H H 70 7.909 7.909 7.802 0.107 18027 4431 1 7 . 1 1 71 71 MET N N 71 119.518 119.518 119.332 0.186 18027 4432 1 7 . 1 1 71 71 MET HA H 71 3.881 3.881 4.304 -0.423 18027 4433 1 7 . 1 1 71 71 MET CA C 71 56.106 56.106 57.100 -0.994 18027 4434 1 7 . 1 1 71 71 MET CB C 71 29.595 29.595 32.369 -2.774 18027 4435 1 7 . 1 1 71 71 MET H H 71 7.120 7.120 7.399 -0.279 18027 4436 1 7 . 1 1 72 72 MET N N 72 116.280 116.280 117.978 -1.698 18027 4437 1 7 . 1 1 72 72 MET HA H 72 3.817 3.817 4.236 -0.419 18027 4438 1 7 . 1 1 72 72 MET CA C 72 55.111 55.111 57.536 -2.425 18027 4439 1 7 . 1 1 72 72 MET CB C 72 27.892 27.892 32.173 -4.281 18027 4440 1 7 . 1 1 72 72 MET H H 72 7.737 7.737 7.507 0.230 18027 4441 1 7 . 1 1 73 73 ALA N N 73 119.984 119.984 118.763 1.221 18027 4442 1 7 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.141 -0.303 18027 4443 1 7 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.784 -1.972 18027 4444 1 7 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.349 -3.146 18027 4445 1 7 . 1 1 73 73 ALA H H 73 8.322 8.322 7.646 0.676 18027 4446 1 7 . 1 1 74 74 ARG N N 74 116.354 116.354 118.818 -2.464 18027 4447 1 7 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.141 -0.303 18027 4448 1 7 . 1 1 74 74 ARG CA C 74 55.957 55.957 59.018 -3.061 18027 4449 1 7 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.428 -5.173 18027 4450 1 7 . 1 1 74 74 ARG H H 74 7.264 7.264 7.385 -0.121 18027 4451 1 7 . 1 1 75 75 LYS N N 75 120.084 120.084 118.521 1.563 18027 4452 1 7 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.259 -0.311 18027 4453 1 7 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.320 -2.461 18027 4454 1 7 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.035 -3.354 18027 4455 1 7 . 1 1 75 75 LYS H H 75 7.756 7.756 7.624 0.132 18027 4456 1 7 . 1 1 76 76 MET N N 76 117.139 117.139 117.672 -0.533 18027 4457 1 7 . 1 1 76 76 MET HA H 76 4.168 4.168 4.400 -0.232 18027 4458 1 7 . 1 1 76 76 MET CA C 76 54.704 54.704 56.812 -2.108 18027 4459 1 7 . 1 1 76 76 MET CB C 76 30.052 30.052 32.238 -2.186 18027 4460 1 7 . 1 1 76 76 MET H H 76 7.985 7.985 7.559 0.425 18027 4461 1 7 . 1 1 77 77 LYS N N 77 116.614 116.614 117.705 -1.091 18027 4462 1 7 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.428 -0.207 18027 4463 1 7 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.523 -3.339 18027 4464 1 7 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.998 -6.715 18027 4465 1 7 . 1 1 77 77 LYS H H 77 7.275 7.275 7.495 -0.220 18027 4466 1 7 . 1 1 78 78 ASP N N 78 123.187 123.187 120.311 2.876 18027 4467 1 7 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.684 -0.233 18027 4468 1 7 . 1 1 78 78 ASP CA C 78 51.732 51.732 55.185 -3.453 18027 4469 1 7 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.276 -2.885 18027 4470 1 7 . 1 1 78 78 ASP H H 78 8.181 8.181 7.768 0.413 18027 4471 1 7 . 1 1 79 79 THR N N 79 114.325 114.325 111.370 2.955 18027 4472 1 7 . 1 1 79 79 THR HA H 79 4.034 4.034 3.959 0.075 18027 4473 1 7 . 1 1 79 79 THR CA C 79 61.322 61.322 64.276 -2.954 18027 4474 1 7 . 1 1 79 79 THR CB C 79 66.147 66.147 67.163 -1.016 18027 4475 1 7 . 1 1 79 79 THR H H 79 8.377 8.377 8.364 0.013 18027 4476 1 7 . 1 1 80 80 ASP N N 80 120.844 120.844 119.474 1.370 18027 4477 1 7 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.831 -0.526 18027 4478 1 7 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.239 -2.567 18027 4479 1 7 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.639 -3.048 18027 4480 1 7 . 1 1 80 80 ASP H H 80 8.223 8.223 8.387 -0.164 18027 4481 1 7 . 1 1 81 81 SER N N 81 115.729 115.729 114.353 1.376 18027 4482 1 7 . 1 1 81 81 SER HA H 81 3.911 3.911 4.673 -0.762 18027 4483 1 7 . 1 1 81 81 SER CA C 81 57.939 57.939 59.803 -1.865 18027 4484 1 7 . 1 1 81 81 SER CB C 81 60.664 60.664 62.755 -2.091 18027 4485 1 7 . 1 1 81 81 SER H H 81 7.785 7.785 8.171 -0.386 18027 4486 1 7 . 1 1 82 82 GLU N N 82 121.960 121.960 122.885 -0.925 18027 4487 1 7 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.033 -0.137 18027 4488 1 7 . 1 1 82 82 GLU CA C 82 56.829 56.829 59.224 -2.395 18027 4489 1 7 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.392 -2.768 18027 4490 1 7 . 1 1 82 82 GLU H H 82 8.208 8.208 8.612 -0.404 18027 4491 1 7 . 1 1 83 83 GLU N N 83 118.040 118.040 116.986 1.054 18027 4492 1 7 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.151 -0.313 18027 4493 1 7 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.715 -2.771 18027 4494 1 7 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.195 -2.363 18027 4495 1 7 . 1 1 83 83 GLU H H 83 7.898 7.898 7.765 0.133 18027 4496 1 7 . 1 1 84 84 GLU N N 84 118.825 118.825 120.051 -1.226 18027 4497 1 7 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.914 -4.157 18027 4498 1 7 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.877 0.975 18027 4499 1 7 . 1 1 84 84 GLU H H 84 8.154 8.154 7.651 0.503 18027 4500 1 7 . 1 1 85 85 ILE N N 85 119.310 119.310 119.540 -0.230 18027 4501 1 7 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.871 -0.104 18027 4502 1 7 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.695 -4.837 18027 4503 1 7 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.887 -2.238 18027 4504 1 7 . 1 1 85 85 ILE H H 85 7.793 7.793 7.501 0.292 18027 4505 1 7 . 1 1 86 86 ARG N N 86 120.640 120.640 119.608 1.032 18027 4506 1 7 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.940 -0.015 18027 4507 1 7 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.425 -2.159 18027 4508 1 7 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.294 -2.441 18027 4509 1 7 . 1 1 86 86 ARG H H 86 8.177 8.177 7.872 0.305 18027 4510 1 7 . 1 1 87 87 GLU N N 87 119.448 119.448 119.719 -0.271 18027 4511 1 7 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.205 -0.353 18027 4512 1 7 . 1 1 87 87 GLU CA C 87 56.643 56.643 59.198 -2.555 18027 4513 1 7 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.114 -3.060 18027 4514 1 7 . 1 1 87 87 GLU H H 87 7.828 7.828 7.736 0.092 18027 4515 1 7 . 1 1 88 88 ALA N N 88 122.592 122.592 122.531 0.061 18027 4516 1 7 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.358 -0.330 18027 4517 1 7 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.712 -2.116 18027 4518 1 7 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.575 -3.943 18027 4519 1 7 . 1 1 88 88 ALA H H 88 8.283 8.283 7.674 0.609 18027 4520 1 7 . 1 1 89 89 PHE N N 89 119.245 119.245 119.304 -0.059 18027 4521 1 7 . 1 1 89 89 PHE HA H 89 3.114 3.114 3.944 -0.830 18027 4522 1 7 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.039 -1.494 18027 4523 1 7 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.574 -3.239 18027 4524 1 7 . 1 1 89 89 PHE H H 89 8.423 8.423 8.484 -0.061 18027 4525 1 7 . 1 1 90 90 ARG N N 90 117.455 117.455 119.013 -1.558 18027 4526 1 7 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.120 -0.271 18027 4527 1 7 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.028 -2.715 18027 4528 1 7 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.782 -2.585 18027 4529 1 7 . 1 1 90 90 ARG H H 90 7.840 7.840 7.819 0.021 18027 4530 1 7 . 1 1 91 91 VAL N N 91 118.698 118.698 118.557 0.141 18027 4531 1 7 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.860 -0.608 18027 4532 1 7 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.578 -1.245 18027 4533 1 7 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.321 -3.211 18027 4534 1 7 . 1 1 91 91 VAL H H 91 7.262 7.262 7.438 -0.176 18027 4535 1 7 . 1 1 92 92 PHE N N 92 112.495 112.495 117.556 -5.061 18027 4536 1 7 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.320 -0.386 18027 4537 1 7 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.249 -3.068 18027 4538 1 7 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.878 -0.459 18027 4539 1 7 . 1 1 92 92 PHE H H 92 6.693 6.693 7.533 -0.840 18027 4540 1 7 . 1 1 93 93 ASP N N 93 117.214 117.214 118.581 -1.367 18027 4541 1 7 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.595 -0.161 18027 4542 1 7 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.371 -2.590 18027 4543 1 7 . 1 1 93 93 ASP CB C 93 36.449 36.449 38.768 -2.319 18027 4544 1 7 . 1 1 93 93 ASP H H 93 7.954 7.954 8.022 -0.068 18027 4545 1 7 . 1 1 94 94 LYS N N 94 125.565 125.565 122.729 2.836 18027 4546 1 7 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.218 -0.439 18027 4547 1 7 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.355 -2.676 18027 4548 1 7 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.482 -2.887 18027 4549 1 7 . 1 1 94 94 LYS H H 94 7.671 7.671 7.809 -0.138 18027 4550 1 7 . 1 1 95 95 ASP N N 95 114.041 114.041 116.421 -2.380 18027 4551 1 7 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.769 -0.361 18027 4552 1 7 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.803 -3.590 18027 4553 1 7 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.420 -4.857 18027 4554 1 7 . 1 1 95 95 ASP H H 95 7.944 7.944 7.918 0.026 18027 4555 1 7 . 1 1 96 96 GLY N N 96 108.849 108.849 108.868 -0.019 18027 4556 1 7 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.931 -1.732 18027 4557 1 7 . 1 1 96 96 GLY H H 96 7.529 7.529 7.426 0.103 18027 4558 1 7 . 1 1 97 97 ASN N N 97 119.410 119.410 119.995 -0.585 18027 4559 1 7 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.606 -0.182 18027 4560 1 7 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.125 -3.442 18027 4561 1 7 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.676 -2.113 18027 4562 1 7 . 1 1 97 97 ASN H H 97 8.234 8.234 8.432 -0.198 18027 4563 1 7 . 1 1 98 98 GLY N N 98 112.073 112.073 105.955 6.118 18027 4564 1 7 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.673 -3.497 18027 4565 1 7 . 1 1 98 98 GLY H H 98 10.298 10.298 8.301 1.997 18027 4566 1 7 . 1 1 99 99 TYR N N 99 116.011 116.011 116.369 -0.358 18027 4567 1 7 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.215 -0.397 18027 4568 1 7 . 1 1 99 99 TYR CA C 99 53.681 53.681 54.767 -1.085 18027 4569 1 7 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.155 -0.280 18027 4570 1 7 . 1 1 99 99 TYR H H 99 7.497 7.497 7.142 0.355 18027 4571 1 7 . 1 1 100 100 ILE N N 100 126.793 126.793 121.723 5.070 18027 4572 1 7 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.176 0.247 18027 4573 1 7 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.937 -2.308 18027 4574 1 7 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.428 -2.679 18027 4575 1 7 . 1 1 100 100 ILE H H 100 9.833 9.833 8.908 0.925 18027 4576 1 7 . 1 1 101 101 SER N N 101 123.825 123.825 123.251 0.574 18027 4577 1 7 . 1 1 101 101 SER HA H 101 4.657 4.657 4.654 0.003 18027 4578 1 7 . 1 1 101 101 SER CA C 101 53.060 53.060 57.295 -4.236 18027 4579 1 7 . 1 1 101 101 SER CB C 101 64.091 64.091 64.737 -0.646 18027 4580 1 7 . 1 1 101 101 SER H H 101 8.870 8.870 8.490 0.380 18027 4581 1 7 . 1 1 102 102 ALA N N 102 122.909 122.909 128.014 -5.105 18027 4582 1 7 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.141 -0.377 18027 4583 1 7 . 1 1 102 102 ALA CA C 102 53.050 53.050 54.895 -1.845 18027 4584 1 7 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.677 -3.702 18027 4585 1 7 . 1 1 102 102 ALA H H 102 9.209 9.209 9.086 0.123 18027 4586 1 7 . 1 1 103 103 ALA N N 103 118.692 118.692 121.048 -2.356 18027 4587 1 7 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.067 -0.193 18027 4588 1 7 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.900 -2.415 18027 4589 1 7 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.228 -3.025 18027 4590 1 7 . 1 1 103 103 ALA H H 103 8.146 8.146 7.896 0.250 18027 4591 1 7 . 1 1 104 104 GLU N N 104 120.098 120.098 118.695 1.403 18027 4592 1 7 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.171 -0.308 18027 4593 1 7 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.696 -2.121 18027 4594 1 7 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.335 -3.966 18027 4595 1 7 . 1 1 104 104 GLU H H 104 7.832 7.832 8.541 -0.709 18027 4596 1 7 . 1 1 105 105 LEU N N 105 121.466 121.466 120.628 0.838 18027 4597 1 7 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.008 0.108 18027 4598 1 7 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.839 -2.143 18027 4599 1 7 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.986 -3.024 18027 4600 1 7 . 1 1 105 105 LEU H H 105 8.300 8.300 7.824 0.476 18027 4601 1 7 . 1 1 106 106 ARG N N 106 118.978 118.978 118.172 0.806 18027 4602 1 7 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.845 0.007 18027 4603 1 7 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.740 -2.306 18027 4604 1 7 . 1 1 106 106 ARG CB C 106 27.084 27.084 30.118 -3.034 18027 4605 1 7 . 1 1 106 106 ARG H H 106 8.882 8.882 7.670 1.212 18027 4606 1 7 . 1 1 107 107 HIS N N 107 118.543 118.543 117.867 0.676 18027 4607 1 7 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.295 -0.095 18027 4608 1 7 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.551 -2.726 18027 4609 1 7 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.648 -2.908 18027 4610 1 7 . 1 1 107 107 HIS H H 107 7.991 7.991 7.738 0.253 18027 4611 1 7 . 1 1 108 108 VAL N N 108 118.687 118.687 118.565 0.122 18027 4612 1 7 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.630 -0.538 18027 4613 1 7 . 1 1 108 108 VAL CA C 108 64.210 64.210 65.463 -1.253 18027 4614 1 7 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.511 -2.601 18027 4615 1 7 . 1 1 108 108 VAL H H 108 7.425 7.425 7.357 0.068 18027 4616 1 7 . 1 1 109 109 MET N N 109 115.725 115.725 117.964 -2.239 18027 4617 1 7 . 1 1 109 109 MET HA H 109 3.944 3.944 4.310 -0.366 18027 4618 1 7 . 1 1 109 109 MET CA C 109 55.212 55.212 57.429 -2.217 18027 4619 1 7 . 1 1 109 109 MET CB C 109 27.425 27.425 32.249 -4.824 18027 4620 1 7 . 1 1 109 109 MET H H 109 7.972 7.972 7.597 0.375 18027 4621 1 7 . 1 1 110 110 THR N N 110 116.999 116.999 114.820 2.179 18027 4622 1 7 . 1 1 110 110 THR HA H 110 3.852 3.852 4.494 -0.642 18027 4623 1 7 . 1 1 110 110 THR CA C 110 63.918 63.918 64.751 -0.833 18027 4624 1 7 . 1 1 110 110 THR CB C 110 65.844 65.844 68.524 -2.680 18027 4625 1 7 . 1 1 110 110 THR H H 110 8.691 8.691 8.564 0.127 18027 4626 1 7 . 1 1 111 111 ASN N N 111 123.893 123.893 120.709 3.184 18027 4627 1 7 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.585 -0.344 18027 4628 1 7 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.263 -2.314 18027 4629 1 7 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.717 -3.753 18027 4630 1 7 . 1 1 111 111 ASN H H 111 7.911 7.911 7.981 -0.070 18027 4631 1 7 . 1 1 112 112 LEU N N 112 119.244 119.244 117.141 2.103 18027 4632 1 7 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.195 -0.123 18027 4633 1 7 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.029 -2.127 18027 4634 1 7 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.401 -2.868 18027 4635 1 7 . 1 1 112 112 LEU H H 112 7.618 7.618 7.320 0.298 18027 4636 1 7 . 1 1 113 113 GLY N N 113 107.263 107.263 106.035 1.228 18027 4637 1 7 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.873 -2.436 18027 4638 1 7 . 1 1 113 113 GLY H H 113 7.743 7.743 7.427 0.316 18027 4639 1 7 . 1 1 114 114 GLU N N 114 120.073 120.073 118.927 1.146 18027 4640 1 7 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.587 -0.297 18027 4641 1 7 . 1 1 114 114 GLU CA C 114 51.526 51.526 55.017 -3.491 18027 4642 1 7 . 1 1 114 114 GLU CB C 114 27.539 27.539 33.067 -5.528 18027 4643 1 7 . 1 1 114 114 GLU H H 114 7.857 7.857 7.753 0.104 18027 4644 1 7 . 1 1 115 115 LYS N N 115 124.142 124.142 123.525 0.617 18027 4645 1 7 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.505 -0.285 18027 4646 1 7 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.726 -2.832 18027 4647 1 7 . 1 1 115 115 LYS CB C 115 29.481 29.481 32.574 -3.093 18027 4648 1 7 . 1 1 115 115 LYS H H 115 8.377 8.377 8.539 -0.162 18027 4649 1 7 . 1 1 116 116 LEU N N 116 125.240 125.240 123.275 1.965 18027 4650 1 7 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.718 -0.246 18027 4651 1 7 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.332 -1.894 18027 4652 1 7 . 1 1 116 116 LEU CB C 116 40.675 40.675 43.394 -2.719 18027 4653 1 7 . 1 1 116 116 LEU H H 116 8.002 8.002 8.250 -0.248 18027 4654 1 7 . 1 1 117 117 THR N N 117 113.520 113.520 114.039 -0.519 18027 4655 1 7 . 1 1 117 117 THR CA C 117 57.922 57.922 61.562 -3.640 18027 4656 1 7 . 1 1 117 117 THR CB C 117 68.352 68.352 70.788 -2.436 18027 4657 1 7 . 1 1 117 117 THR H H 117 8.927 8.927 8.527 0.400 18027 4658 1 7 . 1 1 118 118 ASP N N 118 120.859 120.859 122.248 -1.389 18027 4659 1 7 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.474 -0.431 18027 4660 1 7 . 1 1 118 118 ASP CA C 118 55.165 55.165 56.939 -1.774 18027 4661 1 7 . 1 1 118 118 ASP CB C 118 36.774 36.774 41.135 -4.361 18027 4662 1 7 . 1 1 118 118 ASP H H 118 8.754 8.754 8.807 -0.053 18027 4663 1 7 . 1 1 119 119 GLU N N 119 119.112 119.112 118.952 0.160 18027 4664 1 7 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.004 -0.077 18027 4665 1 7 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.002 -1.812 18027 4666 1 7 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.633 -3.350 18027 4667 1 7 . 1 1 119 119 GLU H H 119 8.507 8.507 7.776 0.731 18027 4668 1 7 . 1 1 120 120 GLU N N 120 120.059 120.059 118.087 1.972 18027 4669 1 7 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.160 -0.302 18027 4670 1 7 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.440 -1.981 18027 4671 1 7 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.860 -2.343 18027 4672 1 7 . 1 1 120 120 GLU H H 120 7.809 7.809 7.601 0.208 18027 4673 1 7 . 1 1 121 121 VAL N N 121 120.512 120.512 119.121 1.391 18027 4674 1 7 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.783 -0.311 18027 4675 1 7 . 1 1 121 121 VAL CA C 121 64.082 64.082 65.570 -1.488 18027 4676 1 7 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.744 -3.177 18027 4677 1 7 . 1 1 121 121 VAL H H 121 7.898 7.898 7.211 0.687 18027 4678 1 7 . 1 1 122 122 ASP N N 122 119.857 119.857 119.956 -0.099 18027 4679 1 7 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.370 -0.202 18027 4680 1 7 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.896 -2.990 18027 4681 1 7 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.963 -3.486 18027 4682 1 7 . 1 1 122 122 ASP H H 122 7.897 7.897 7.777 0.120 18027 4683 1 7 . 1 1 123 123 GLU N N 123 119.630 119.630 118.010 1.620 18027 4684 1 7 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.100 -0.262 18027 4685 1 7 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.844 -1.767 18027 4686 1 7 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.548 -3.379 18027 4687 1 7 . 1 1 123 123 GLU H H 123 7.963 7.963 7.802 0.161 18027 4688 1 7 . 1 1 124 124 MET N N 124 119.144 119.144 117.396 1.748 18027 4689 1 7 . 1 1 124 124 MET HA H 124 3.859 3.859 4.211 -0.352 18027 4690 1 7 . 1 1 124 124 MET CA C 124 56.508 56.508 58.470 -1.962 18027 4691 1 7 . 1 1 124 124 MET CB C 124 29.253 29.253 33.145 -3.892 18027 4692 1 7 . 1 1 124 124 MET H H 124 7.631 7.631 7.421 0.210 18027 4693 1 7 . 1 1 125 125 ILE N N 125 117.557 117.557 120.196 -2.639 18027 4694 1 7 . 1 1 125 125 ILE HA H 125 3.284 3.284 4.007 -0.723 18027 4695 1 7 . 1 1 125 125 ILE CA C 125 61.139 61.139 65.319 -4.180 18027 4696 1 7 . 1 1 125 125 ILE CB C 125 34.050 34.050 38.068 -4.018 18027 4697 1 7 . 1 1 125 125 ILE H H 125 7.669 7.669 7.391 0.278 18027 4698 1 7 . 1 1 126 126 ARG N N 126 118.414 118.414 118.678 -0.264 18027 4699 1 7 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.128 -0.270 18027 4700 1 7 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.654 -1.852 18027 4701 1 7 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.836 -2.411 18027 4702 1 7 . 1 1 126 126 ARG H H 126 7.952 7.952 7.539 0.413 18027 4703 1 7 . 1 1 127 127 GLU N N 127 116.143 116.143 117.550 -1.407 18027 4704 1 7 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.348 -0.490 18027 4705 1 7 . 1 1 127 127 GLU CA C 127 56.215 56.215 57.960 -1.745 18027 4706 1 7 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.320 -3.123 18027 4707 1 7 . 1 1 127 127 GLU H H 127 7.294 7.294 7.936 -0.642 18027 4708 1 7 . 1 1 128 128 ALA N N 128 116.994 116.994 119.077 -2.083 18027 4709 1 7 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.571 -0.118 18027 4710 1 7 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.604 -3.432 18027 4711 1 7 . 1 1 128 128 ALA CB C 128 19.772 19.772 21.302 -1.530 18027 4712 1 7 . 1 1 128 128 ALA H H 128 7.110 7.110 7.283 -0.173 18027 4713 1 7 . 1 1 129 129 ASP N N 129 117.846 117.846 121.560 -3.714 18027 4714 1 7 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.784 -0.342 18027 4715 1 7 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.413 -2.780 18027 4716 1 7 . 1 1 129 129 ASP CB C 129 38.505 38.505 41.068 -2.563 18027 4717 1 7 . 1 1 129 129 ASP H H 129 7.508 7.508 8.503 -0.995 18027 4718 1 7 . 1 1 130 130 ILE N N 130 128.118 128.118 121.449 6.669 18027 4719 1 7 . 1 1 130 130 ILE HA H 130 3.750 3.750 3.944 -0.194 18027 4720 1 7 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.899 -3.316 18027 4721 1 7 . 1 1 130 130 ILE CB C 130 35.763 35.763 37.862 -2.099 18027 4722 1 7 . 1 1 130 130 ILE H H 130 8.168 8.168 8.379 -0.211 18027 4723 1 7 . 1 1 131 131 ASP N N 131 116.572 116.572 118.654 -2.082 18027 4724 1 7 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.558 -0.262 18027 4725 1 7 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.407 -2.285 18027 4726 1 7 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.240 -2.763 18027 4727 1 7 . 1 1 131 131 ASP H H 131 8.136 8.136 7.875 0.261 18027 4728 1 7 . 1 1 132 132 GLY N N 132 108.411 108.411 108.471 -0.060 18027 4729 1 7 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.980 -1.473 18027 4730 1 7 . 1 1 132 132 GLY H H 132 7.460 7.460 8.219 -0.759 18027 4731 1 7 . 1 1 133 133 ASP N N 133 120.424 120.424 119.959 0.465 18027 4732 1 7 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.490 -0.194 18027 4733 1 7 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.688 -2.834 18027 4734 1 7 . 1 1 133 133 ASP H H 133 8.177 8.177 8.083 0.094 18027 4735 1 7 . 1 1 134 134 GLY N N 134 112.396 112.396 106.710 5.686 18027 4736 1 7 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.235 -2.182 18027 4737 1 7 . 1 1 134 134 GLY H H 134 10.043 10.043 7.683 2.360 18027 4738 1 7 . 1 1 135 135 GLN N N 135 115.588 115.588 118.734 -3.146 18027 4739 1 7 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.467 -0.663 18027 4740 1 7 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.841 -3.426 18027 4741 1 7 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.150 -2.869 18027 4742 1 7 . 1 1 135 135 GLN H H 135 7.866 7.866 7.447 0.419 18027 4743 1 7 . 1 1 136 136 VAL N N 136 124.910 124.910 121.792 3.118 18027 4744 1 7 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.388 0.611 18027 4745 1 7 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.478 -1.771 18027 4746 1 7 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.335 -2.255 18027 4747 1 7 . 1 1 136 136 VAL H H 136 8.856 8.856 8.764 0.092 18027 4748 1 7 . 1 1 137 137 ASN N N 137 129.009 129.009 124.611 4.398 18027 4749 1 7 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.135 0.038 18027 4750 1 7 . 1 1 137 137 ASN CA C 137 48.083 48.083 53.235 -5.152 18027 4751 1 7 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.593 -4.959 18027 4752 1 7 . 1 1 137 137 ASN H H 137 9.390 9.390 8.838 0.552 18027 4753 1 7 . 1 1 138 138 TYR N N 138 118.471 118.471 120.295 -1.824 18027 4754 1 7 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.120 0.358 18027 4755 1 7 . 1 1 138 138 TYR CA C 138 59.799 59.799 60.964 -1.165 18027 4756 1 7 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.275 -1.740 18027 4757 1 7 . 1 1 138 138 TYR H H 138 8.075 8.075 8.331 -0.256 18027 4758 1 7 . 1 1 139 139 GLU N N 139 118.535 118.535 119.147 -0.612 18027 4759 1 7 . 1 1 139 139 GLU HA H 139 3.838 3.838 3.984 -0.146 18027 4760 1 7 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.343 -1.810 18027 4761 1 7 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.739 -2.799 18027 4762 1 7 . 1 1 139 139 GLU H H 139 7.925 7.925 8.066 -0.141 18027 4763 1 7 . 1 1 140 140 GLU N N 140 119.583 119.583 118.757 0.826 18027 4764 1 7 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.135 -0.286 18027 4765 1 7 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.456 -2.374 18027 4766 1 7 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.214 -2.703 18027 4767 1 7 . 1 1 140 140 GLU H H 140 8.664 8.664 8.504 0.160 18027 4768 1 7 . 1 1 141 141 PHE N N 141 123.810 123.810 120.527 3.283 18027 4769 1 7 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.214 -0.493 18027 4770 1 7 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.336 -2.244 18027 4771 1 7 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.226 -1.521 18027 4772 1 7 . 1 1 141 141 PHE H H 141 8.395 8.395 8.036 0.359 18027 4773 1 7 . 1 1 142 142 VAL N N 142 118.551 118.551 118.000 0.551 18027 4774 1 7 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.684 -0.592 18027 4775 1 7 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.469 -2.287 18027 4776 1 7 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.919 -3.123 18027 4777 1 7 . 1 1 142 142 VAL H H 142 8.484 8.484 7.835 0.649 18027 4778 1 7 . 1 1 143 143 GLN N N 143 119.672 119.672 118.633 1.039 18027 4779 1 7 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.063 -0.225 18027 4780 1 7 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.141 -1.867 18027 4781 1 7 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.741 -3.829 18027 4782 1 7 . 1 1 143 143 GLN H H 143 7.803 7.803 7.569 0.234 18027 4783 1 7 . 1 1 144 144 MET N N 144 116.710 116.710 119.422 -2.712 18027 4784 1 7 . 1 1 144 144 MET HA H 144 3.943 3.943 4.091 -0.148 18027 4785 1 7 . 1 1 144 144 MET CA C 144 55.387 55.387 57.575 -2.188 18027 4786 1 7 . 1 1 144 144 MET CB C 144 29.709 29.709 32.120 -2.411 18027 4787 1 7 . 1 1 144 144 MET H H 144 7.322 7.322 7.563 -0.241 18027 4788 1 7 . 1 1 145 145 MET N N 145 114.879 114.879 115.318 -0.439 18027 4789 1 7 . 1 1 145 145 MET HA H 145 4.062 4.062 4.255 -0.193 18027 4790 1 7 . 1 1 145 145 MET CA C 145 53.291 53.291 57.729 -4.438 18027 4791 1 7 . 1 1 145 145 MET CB C 145 29.253 29.253 32.915 -3.662 18027 4792 1 7 . 1 1 145 145 MET H H 145 7.467 7.467 7.492 -0.025 18027 4793 1 7 . 1 1 146 146 THR N N 146 108.698 108.698 108.046 0.652 18027 4794 1 7 . 1 1 146 146 THR HA H 146 4.136 4.136 4.349 -0.213 18027 4795 1 7 . 1 1 146 146 THR CA C 146 59.201 59.201 61.283 -2.082 18027 4796 1 7 . 1 1 146 146 THR CB C 146 67.404 67.404 69.528 -2.124 18027 4797 1 7 . 1 1 146 146 THR H H 146 7.551 7.551 7.488 0.063 18027 4798 1 7 . 1 1 147 147 ALA N N 147 126.669 126.669 125.348 1.321 18027 4799 1 7 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.427 -0.282 18027 4800 1 7 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.626 -1.553 18027 4801 1 7 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.435 -4.090 18027 4802 1 7 . 1 1 147 147 ALA H H 147 7.596 7.596 7.159 0.437 18027 4803 1 8 . 1 1 2 2 ASP N N 2 120.442 120.442 119.561 0.881 18027 4804 1 8 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.700 -0.247 18027 4805 1 8 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.337 -2.408 18027 4806 1 8 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.425 -2.920 18027 4807 1 8 . 1 1 2 2 ASP H H 2 8.521 8.521 8.371 0.150 18027 4808 1 8 . 1 1 3 3 GLN N N 3 119.769 119.769 120.037 -0.268 18027 4809 1 8 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.498 -0.280 18027 4810 1 8 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.154 -2.467 18027 4811 1 8 . 1 1 3 3 GLN H H 3 8.199 8.199 7.909 0.290 18027 4812 1 8 . 1 1 4 4 LEU N N 4 120.939 120.939 124.748 -3.809 18027 4813 1 8 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.600 -0.117 18027 4814 1 8 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.826 -3.242 18027 4815 1 8 . 1 1 4 4 LEU CB C 4 40.561 40.561 42.803 -2.242 18027 4816 1 8 . 1 1 4 4 LEU H H 4 7.510 7.510 8.529 -1.019 18027 4817 1 8 . 1 1 5 5 THR N N 5 112.777 112.777 115.053 -2.276 18027 4818 1 8 . 1 1 5 5 THR HA H 5 4.253 4.253 4.376 -0.123 18027 4819 1 8 . 1 1 5 5 THR CA C 5 57.873 57.873 62.075 -4.202 18027 4820 1 8 . 1 1 5 5 THR CB C 5 68.203 68.203 69.002 -0.799 18027 4821 1 8 . 1 1 5 5 THR H H 5 8.576 8.576 8.148 0.428 18027 4822 1 8 . 1 1 6 6 GLU N N 6 120.254 120.254 120.548 -0.294 18027 4823 1 8 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.092 -0.298 18027 4824 1 8 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.094 -1.449 18027 4825 1 8 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.332 -3.046 18027 4826 1 8 . 1 1 6 6 GLU H H 6 8.874 8.874 8.723 0.151 18027 4827 1 8 . 1 1 7 7 GLU N N 7 119.637 119.637 119.019 0.618 18027 4828 1 8 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.214 -0.318 18027 4829 1 8 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.225 -2.049 18027 4830 1 8 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.135 -3.081 18027 4831 1 8 . 1 1 7 7 GLU H H 7 8.536 8.536 8.538 -0.002 18027 4832 1 8 . 1 1 8 8 GLN N N 8 120.086 120.086 119.385 0.701 18027 4833 1 8 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.308 -0.470 18027 4834 1 8 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.171 -1.760 18027 4835 1 8 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.081 -2.456 18027 4836 1 8 . 1 1 8 8 GLN H H 8 7.499 7.499 7.809 -0.310 18027 4837 1 8 . 1 1 9 9 ILE N N 9 120.295 120.295 119.636 0.659 18027 4838 1 8 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.702 -0.035 18027 4839 1 8 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.929 -0.883 18027 4840 1 8 . 1 1 9 9 ILE H H 9 8.405 8.405 8.744 -0.339 18027 4841 1 8 . 1 1 10 10 ALA N N 10 121.503 121.503 121.124 0.379 18027 4842 1 8 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.140 -0.229 18027 4843 1 8 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.191 -2.534 18027 4844 1 8 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.231 -3.256 18027 4845 1 8 . 1 1 10 10 ALA H H 10 7.949 7.949 7.562 0.387 18027 4846 1 8 . 1 1 11 11 GLU N N 11 118.352 118.352 118.820 -0.468 18027 4847 1 8 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.136 -0.298 18027 4848 1 8 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.542 -1.869 18027 4849 1 8 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.614 -2.646 18027 4850 1 8 . 1 1 11 11 GLU H H 11 7.700 7.700 7.929 -0.229 18027 4851 1 8 . 1 1 12 12 PHE N N 12 117.277 117.277 120.860 -3.583 18027 4852 1 8 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.386 0.091 18027 4853 1 8 . 1 1 12 12 PHE CA C 12 59.655 59.655 62.138 -2.482 18027 4854 1 8 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.456 -3.921 18027 4855 1 8 . 1 1 12 12 PHE H H 12 8.211 8.211 7.902 0.309 18027 4856 1 8 . 1 1 13 13 LYS N N 13 122.928 122.928 119.031 3.897 18027 4857 1 8 . 1 1 13 13 LYS HA H 13 3.925 3.925 4.016 -0.091 18027 4858 1 8 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.481 -2.327 18027 4859 1 8 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.261 -6.091 18027 4860 1 8 . 1 1 13 13 LYS H H 13 8.925 8.925 7.886 1.038 18027 4861 1 8 . 1 1 14 14 GLU N N 14 119.706 119.706 118.071 1.635 18027 4862 1 8 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.173 -0.315 18027 4863 1 8 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.688 -2.352 18027 4864 1 8 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.946 -3.663 18027 4865 1 8 . 1 1 14 14 GLU H H 14 7.824 7.824 7.811 0.013 18027 4866 1 8 . 1 1 15 15 ALA N N 15 123.880 123.880 121.742 2.138 18027 4867 1 8 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.187 -0.320 18027 4868 1 8 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.365 -1.530 18027 4869 1 8 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.508 -3.305 18027 4870 1 8 . 1 1 15 15 ALA H H 15 8.124 8.124 8.052 0.072 18027 4871 1 8 . 1 1 16 16 PHE N N 16 118.972 118.972 118.359 0.613 18027 4872 1 8 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.166 -1.034 18027 4873 1 8 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.751 -0.768 18027 4874 1 8 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.579 -3.130 18027 4875 1 8 . 1 1 16 16 PHE H H 16 8.446 8.446 8.212 0.234 18027 4876 1 8 . 1 1 17 17 SER N N 17 114.737 114.737 115.283 -0.546 18027 4877 1 8 . 1 1 17 17 SER HA H 17 3.902 3.902 4.273 -0.371 18027 4878 1 8 . 1 1 17 17 SER CA C 17 58.999 58.999 61.140 -2.141 18027 4879 1 8 . 1 1 17 17 SER CB C 17 60.436 60.436 62.846 -2.410 18027 4880 1 8 . 1 1 17 17 SER H H 17 7.874 7.874 7.840 0.034 18027 4881 1 8 . 1 1 18 18 LEU N N 18 120.225 120.225 117.566 2.659 18027 4882 1 8 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.204 -0.419 18027 4883 1 8 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.040 -2.311 18027 4884 1 8 . 1 1 18 18 LEU CB C 18 38.162 38.162 41.439 -3.277 18027 4885 1 8 . 1 1 18 18 LEU H H 18 7.183 7.183 7.349 -0.166 18027 4886 1 8 . 1 1 19 19 PHE N N 19 112.357 112.357 115.669 -3.312 18027 4887 1 8 . 1 1 19 19 PHE CA C 19 56.424 56.424 59.822 -3.398 18027 4888 1 8 . 1 1 19 19 PHE H H 19 6.977 6.977 7.485 -0.508 18027 4889 1 8 . 1 1 20 20 ASP N N 20 117.274 117.274 118.693 -1.419 18027 4890 1 8 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.923 -0.491 18027 4891 1 8 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.124 -2.612 18027 4892 1 8 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.395 -3.718 18027 4893 1 8 . 1 1 20 20 ASP H H 20 7.446 7.446 7.608 -0.162 18027 4894 1 8 . 1 1 21 21 LYS N N 21 124.296 124.296 122.081 2.215 18027 4895 1 8 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.206 -0.368 18027 4896 1 8 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.051 -1.372 18027 4897 1 8 . 1 1 21 21 LYS CB C 21 29.595 29.595 31.918 -2.323 18027 4898 1 8 . 1 1 21 21 LYS H H 21 7.520 7.520 8.374 -0.854 18027 4899 1 8 . 1 1 22 22 ASP N N 22 113.761 113.761 118.731 -4.970 18027 4900 1 8 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.681 -0.247 18027 4901 1 8 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.978 -4.918 18027 4902 1 8 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.883 -5.320 18027 4903 1 8 . 1 1 22 22 ASP H H 22 7.819 7.819 7.800 0.019 18027 4904 1 8 . 1 1 23 23 GLY N N 23 108.838 108.838 108.041 0.797 18027 4905 1 8 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.755 -1.450 18027 4906 1 8 . 1 1 23 23 GLY H H 23 7.497 7.497 8.251 -0.754 18027 4907 1 8 . 1 1 24 24 ASP N N 24 120.790 120.790 120.100 0.690 18027 4908 1 8 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.732 -0.382 18027 4909 1 8 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.431 -3.578 18027 4910 1 8 . 1 1 24 24 ASP CB C 24 37.363 37.363 42.104 -4.741 18027 4911 1 8 . 1 1 24 24 ASP H H 24 8.312 8.312 8.602 -0.290 18027 4912 1 8 . 1 1 25 25 GLY N N 25 112.499 112.499 110.504 1.995 18027 4913 1 8 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.495 -3.075 18027 4914 1 8 . 1 1 25 25 GLY H H 25 10.352 10.352 8.872 1.480 18027 4915 1 8 . 1 1 26 26 THR N N 26 111.781 111.781 110.408 1.373 18027 4916 1 8 . 1 1 26 26 THR HA H 26 5.316 5.316 5.694 -0.378 18027 4917 1 8 . 1 1 26 26 THR CA C 26 56.878 56.878 60.246 -3.368 18027 4918 1 8 . 1 1 26 26 THR CB C 26 70.031 70.031 72.201 -2.171 18027 4919 1 8 . 1 1 26 26 THR H H 26 8.018 8.018 8.236 -0.218 18027 4920 1 8 . 1 1 27 27 ILE N N 27 126.162 126.162 124.272 1.890 18027 4921 1 8 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.470 0.188 18027 4922 1 8 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.177 -1.700 18027 4923 1 8 . 1 1 27 27 ILE CB C 27 37.572 37.572 38.886 -1.314 18027 4924 1 8 . 1 1 27 27 ILE H H 27 9.769 9.769 8.476 1.293 18027 4925 1 8 . 1 1 28 28 THR N N 28 116.311 116.311 123.130 -6.819 18027 4926 1 8 . 1 1 28 28 THR HA H 28 4.669 4.669 4.995 -0.326 18027 4927 1 8 . 1 1 28 28 THR CA C 28 56.878 56.878 62.301 -5.423 18027 4928 1 8 . 1 1 28 28 THR CB C 28 69.688 69.688 70.043 -0.355 18027 4929 1 8 . 1 1 28 28 THR H H 28 8.302 8.302 8.750 -0.448 18027 4930 1 8 . 1 1 29 29 THR N N 29 112.465 112.465 116.014 -3.549 18027 4931 1 8 . 1 1 29 29 THR HA H 29 3.633 3.633 3.967 -0.334 18027 4932 1 8 . 1 1 29 29 THR CA C 29 63.820 63.820 66.465 -2.644 18027 4933 1 8 . 1 1 29 29 THR CB C 29 65.160 65.160 68.484 -3.324 18027 4934 1 8 . 1 1 29 29 THR H H 29 9.078 9.078 8.876 0.202 18027 4935 1 8 . 1 1 30 30 LYS N N 30 120.792 120.792 119.996 0.796 18027 4936 1 8 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.202 -0.247 18027 4937 1 8 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.135 -2.566 18027 4938 1 8 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.585 -1.990 18027 4939 1 8 . 1 1 30 30 LYS H H 30 7.467 7.467 8.421 -0.954 18027 4940 1 8 . 1 1 31 31 GLU N N 31 121.359 121.359 119.951 1.408 18027 4941 1 8 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.203 -0.297 18027 4942 1 8 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.831 -2.154 18027 4943 1 8 . 1 1 31 31 GLU CB C 31 27.082 27.082 28.989 -1.907 18027 4944 1 8 . 1 1 31 31 GLU H H 31 7.574 7.574 7.512 0.062 18027 4945 1 8 . 1 1 32 32 LEU N N 32 120.087 120.087 121.111 -1.024 18027 4946 1 8 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.334 -0.277 18027 4947 1 8 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.597 -2.025 18027 4948 1 8 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.149 -2.297 18027 4949 1 8 . 1 1 32 32 LEU H H 32 8.712 8.712 7.951 0.761 18027 4950 1 8 . 1 1 33 33 GLY N N 33 105.634 105.634 104.756 0.878 18027 4951 1 8 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.277 -1.640 18027 4952 1 8 . 1 1 33 33 GLY H H 33 8.696 8.696 7.849 0.847 18027 4953 1 8 . 1 1 34 34 THR N N 34 117.265 117.265 118.483 -1.218 18027 4954 1 8 . 1 1 34 34 THR HA H 34 3.810 3.810 3.996 -0.186 18027 4955 1 8 . 1 1 34 34 THR CA C 34 64.259 64.259 66.534 -2.275 18027 4956 1 8 . 1 1 34 34 THR CB C 34 66.033 66.033 68.524 -2.491 18027 4957 1 8 . 1 1 34 34 THR H H 34 7.785 7.785 7.612 0.173 18027 4958 1 8 . 1 1 35 35 VAL N N 35 121.498 121.498 120.994 0.504 18027 4959 1 8 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.808 -0.407 18027 4960 1 8 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.461 -1.153 18027 4961 1 8 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.456 -2.660 18027 4962 1 8 . 1 1 35 35 VAL H H 35 7.268 7.268 7.396 -0.128 18027 4963 1 8 . 1 1 36 36 MET N N 36 117.302 117.302 118.261 -0.959 18027 4964 1 8 . 1 1 36 36 MET HA H 36 3.842 3.842 4.311 -0.469 18027 4965 1 8 . 1 1 36 36 MET CA C 36 56.606 56.606 56.745 -0.139 18027 4966 1 8 . 1 1 36 36 MET CB C 36 28.453 28.453 32.311 -3.858 18027 4967 1 8 . 1 1 36 36 MET H H 36 8.487 8.487 7.773 0.714 18027 4968 1 8 . 1 1 37 37 ARG N N 37 118.262 118.262 119.133 -0.871 18027 4969 1 8 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.399 0.259 18027 4970 1 8 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.913 -2.433 18027 4971 1 8 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.294 -3.554 18027 4972 1 8 . 1 1 37 37 ARG H H 37 8.330 8.330 7.814 0.516 18027 4973 1 8 . 1 1 38 38 SER N N 38 117.873 117.873 113.763 4.110 18027 4974 1 8 . 1 1 38 38 SER H H 38 7.815 7.815 7.620 0.195 18027 4975 1 8 . 1 1 39 39 LEU N N 39 117.970 117.970 118.587 -0.617 18027 4976 1 8 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.317 -0.245 18027 4977 1 8 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.401 -3.963 18027 4978 1 8 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.236 -4.074 18027 4979 1 8 . 1 1 39 39 LEU H H 39 7.326 7.326 7.416 -0.090 18027 4980 1 8 . 1 1 40 40 GLY N N 40 106.755 106.755 105.386 1.369 18027 4981 1 8 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.640 -1.976 18027 4982 1 8 . 1 1 40 40 GLY H H 40 7.636 7.636 7.587 0.049 18027 4983 1 8 . 1 1 41 41 GLN N N 41 118.316 118.316 119.706 -1.390 18027 4984 1 8 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.576 -0.291 18027 4985 1 8 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.511 -3.658 18027 4986 1 8 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.999 -4.688 18027 4987 1 8 . 1 1 41 41 GLN H H 41 7.827 7.827 7.755 0.072 18027 4988 1 8 . 1 1 42 42 ASN N N 42 115.866 115.866 121.102 -5.236 18027 4989 1 8 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.101 -0.088 18027 4990 1 8 . 1 1 42 42 ASN CA C 42 48.562 48.562 50.698 -2.136 18027 4991 1 8 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.998 -3.680 18027 4992 1 8 . 1 1 42 42 ASN H H 42 8.557 8.557 8.765 -0.208 18027 4993 1 8 . 1 1 44 44 THR N N 44 113.035 113.035 110.449 2.586 18027 4994 1 8 . 1 1 44 44 THR HA H 44 4.296 4.296 4.406 -0.110 18027 4995 1 8 . 1 1 44 44 THR CA C 44 57.922 57.922 60.055 -2.133 18027 4996 1 8 . 1 1 44 44 THR CB C 44 68.317 68.317 70.468 -2.151 18027 4997 1 8 . 1 1 44 44 THR H H 44 8.694 8.694 7.933 0.761 18027 4998 1 8 . 1 1 45 45 GLU N N 45 120.283 120.283 120.096 0.187 18027 4999 1 8 . 1 1 45 45 GLU HA H 45 3.896 3.896 3.935 -0.039 18027 5000 1 8 . 1 1 45 45 GLU CA C 45 57.356 57.356 60.033 -2.677 18027 5001 1 8 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.086 -3.370 18027 5002 1 8 . 1 1 45 45 GLU H H 45 8.687 8.687 8.809 -0.122 18027 5003 1 8 . 1 1 46 46 ALA N N 46 120.685 120.685 120.746 -0.061 18027 5004 1 8 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.218 -0.348 18027 5005 1 8 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.568 -2.252 18027 5006 1 8 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.109 -3.020 18027 5007 1 8 . 1 1 46 46 ALA H H 46 8.153 8.153 8.274 -0.121 18027 5008 1 8 . 1 1 47 47 GLU N N 47 118.546 118.546 118.477 0.069 18027 5009 1 8 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.144 -0.285 18027 5010 1 8 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.626 -2.118 18027 5011 1 8 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.408 -2.668 18027 5012 1 8 . 1 1 47 47 GLU H H 47 7.554 7.554 7.898 -0.344 18027 5013 1 8 . 1 1 48 48 LEU N N 48 120.085 120.085 121.180 -1.095 18027 5014 1 8 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.134 -0.194 18027 5015 1 8 . 1 1 48 48 LEU CA C 48 55.368 55.368 58.360 -2.992 18027 5016 1 8 . 1 1 48 48 LEU CB C 48 39.419 39.419 42.086 -2.667 18027 5017 1 8 . 1 1 48 48 LEU H H 48 8.247 8.247 7.734 0.513 18027 5018 1 8 . 1 1 49 49 GLN N N 49 118.119 118.119 116.461 1.658 18027 5019 1 8 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.053 -0.140 18027 5020 1 8 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.551 -1.848 18027 5021 1 8 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.091 -1.694 18027 5022 1 8 . 1 1 49 49 GLN H H 49 7.891 7.891 7.657 0.234 18027 5023 1 8 . 1 1 50 50 ASP N N 50 119.263 119.263 120.740 -1.477 18027 5024 1 8 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.471 -0.292 18027 5025 1 8 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.830 -1.954 18027 5026 1 8 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.982 -3.734 18027 5027 1 8 . 1 1 50 50 ASP H H 50 7.803 7.803 7.626 0.177 18027 5028 1 8 . 1 1 51 51 MET N N 51 120.178 120.178 117.416 2.762 18027 5029 1 8 . 1 1 51 51 MET HA H 51 3.966 3.966 4.370 -0.404 18027 5030 1 8 . 1 1 51 51 MET CA C 51 57.074 57.074 58.619 -1.545 18027 5031 1 8 . 1 1 51 51 MET CB C 51 29.975 29.975 33.313 -3.338 18027 5032 1 8 . 1 1 51 51 MET H H 51 7.831 7.831 7.422 0.409 18027 5033 1 8 . 1 1 52 52 ILE N N 52 116.856 116.856 120.299 -3.443 18027 5034 1 8 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.759 -0.411 18027 5035 1 8 . 1 1 52 52 ILE CA C 52 61.675 61.675 63.756 -2.081 18027 5036 1 8 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.611 -3.789 18027 5037 1 8 . 1 1 52 52 ILE H H 52 7.703 7.703 7.602 0.101 18027 5038 1 8 . 1 1 53 53 ASN N N 53 117.417 117.417 115.174 2.243 18027 5039 1 8 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.498 -0.245 18027 5040 1 8 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.696 -2.655 18027 5041 1 8 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.371 -3.293 18027 5042 1 8 . 1 1 53 53 ASN H H 53 8.187 8.187 7.973 0.214 18027 5043 1 8 . 1 1 54 54 GLU N N 54 116.996 116.996 118.158 -1.162 18027 5044 1 8 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.213 -0.354 18027 5045 1 8 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.234 -2.360 18027 5046 1 8 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.358 -3.961 18027 5047 1 8 . 1 1 54 54 GLU H H 54 7.391 7.391 7.613 -0.222 18027 5048 1 8 . 1 1 55 55 VAL N N 55 114.596 114.596 114.430 0.166 18027 5049 1 8 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.118 -0.131 18027 5050 1 8 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.987 -4.042 18027 5051 1 8 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.955 -2.217 18027 5052 1 8 . 1 1 55 55 VAL H H 55 7.151 7.151 7.552 -0.401 18027 5053 1 8 . 1 1 56 56 ASP N N 56 119.670 119.670 122.751 -3.081 18027 5054 1 8 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.418 -0.101 18027 5055 1 8 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.396 -4.040 18027 5056 1 8 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.195 -3.604 18027 5057 1 8 . 1 1 56 56 ASP H H 56 7.913 7.913 8.293 -0.380 18027 5058 1 8 . 1 1 57 57 ALA N N 57 131.491 131.491 129.260 2.231 18027 5059 1 8 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.194 -0.093 18027 5060 1 8 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.869 -2.686 18027 5061 1 8 . 1 1 57 57 ALA H H 57 8.126 8.126 8.815 -0.689 18027 5062 1 8 . 1 1 58 58 ASP N N 58 114.255 114.255 117.948 -3.693 18027 5063 1 8 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.642 -0.208 18027 5064 1 8 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.713 -4.753 18027 5065 1 8 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.419 -4.856 18027 5066 1 8 . 1 1 58 58 ASP H H 58 8.130 8.130 8.251 -0.121 18027 5067 1 8 . 1 1 59 59 GLY N N 59 108.987 108.987 107.221 1.766 18027 5068 1 8 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.341 -1.045 18027 5069 1 8 . 1 1 59 59 GLY H H 59 7.504 7.504 8.583 -1.079 18027 5070 1 8 . 1 1 60 60 ASN N N 60 118.770 118.770 119.026 -0.256 18027 5071 1 8 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.882 -0.453 18027 5072 1 8 . 1 1 60 60 ASN CA C 60 49.859 49.859 51.940 -2.081 18027 5073 1 8 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.132 -5.625 18027 5074 1 8 . 1 1 60 60 ASN H H 60 8.095 8.095 8.638 -0.543 18027 5075 1 8 . 1 1 61 61 GLY N N 61 112.773 112.773 108.841 3.932 18027 5076 1 8 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.354 -2.642 18027 5077 1 8 . 1 1 61 61 GLY H H 61 10.280 10.280 9.007 1.273 18027 5078 1 8 . 1 1 62 62 THR N N 62 108.117 108.117 111.022 -2.905 18027 5079 1 8 . 1 1 62 62 THR HA H 62 4.672 4.672 4.936 -0.264 18027 5080 1 8 . 1 1 62 62 THR CA C 62 56.878 56.878 60.144 -3.265 18027 5081 1 8 . 1 1 62 62 THR CB C 62 69.688 69.688 71.684 -1.996 18027 5082 1 8 . 1 1 62 62 THR H H 62 7.475 7.475 7.753 -0.278 18027 5083 1 8 . 1 1 63 63 ILE N N 63 122.642 122.642 122.303 0.339 18027 5084 1 8 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.397 0.399 18027 5085 1 8 . 1 1 63 63 ILE CA C 63 57.812 57.812 59.920 -2.108 18027 5086 1 8 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.223 -3.860 18027 5087 1 8 . 1 1 63 63 ILE H H 63 8.449 8.449 8.248 0.201 18027 5088 1 8 . 1 1 64 64 ASP N N 64 128.633 128.633 125.608 3.025 18027 5089 1 8 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.369 -0.053 18027 5090 1 8 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.057 -3.777 18027 5091 1 8 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.834 -4.073 18027 5092 1 8 . 1 1 64 64 ASP H H 64 9.011 9.011 8.453 0.558 18027 5093 1 8 . 1 1 65 65 PHE N N 65 118.892 118.892 117.073 1.819 18027 5094 1 8 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.325 -0.558 18027 5095 1 8 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.978 -0.765 18027 5096 1 8 . 1 1 65 65 PHE H H 65 8.766 8.766 8.317 0.449 18027 5097 1 8 . 1 1 67 67 GLU N N 67 118.675 118.675 116.003 2.672 18027 5098 1 8 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.277 -0.440 18027 5099 1 8 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.395 -0.790 18027 5100 1 8 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.786 -2.389 18027 5101 1 8 . 1 1 67 67 GLU H H 67 7.487 7.487 8.628 -1.141 18027 5102 1 8 . 1 1 68 68 PHE N N 68 123.182 123.182 121.551 1.631 18027 5103 1 8 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.308 -0.640 18027 5104 1 8 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.976 -3.547 18027 5105 1 8 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.620 -2.029 18027 5106 1 8 . 1 1 68 68 PHE H H 68 8.066 8.066 7.625 0.441 18027 5107 1 8 . 1 1 69 69 LEU N N 69 119.530 119.530 117.532 1.998 18027 5108 1 8 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.029 -0.074 18027 5109 1 8 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.163 -2.389 18027 5110 1 8 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.372 -1.953 18027 5111 1 8 . 1 1 69 69 LEU H H 69 8.672 8.672 7.985 0.687 18027 5112 1 8 . 1 1 70 70 THR N N 70 113.765 113.765 114.864 -1.099 18027 5113 1 8 . 1 1 70 70 THR HA H 70 3.806 3.806 3.995 -0.189 18027 5114 1 8 . 1 1 70 70 THR CA C 70 63.861 63.861 66.626 -2.765 18027 5115 1 8 . 1 1 70 70 THR CB C 70 66.147 66.147 68.506 -2.359 18027 5116 1 8 . 1 1 70 70 THR H H 70 7.909 7.909 7.827 0.082 18027 5117 1 8 . 1 1 71 71 MET N N 71 119.518 119.518 120.117 -0.599 18027 5118 1 8 . 1 1 71 71 MET HA H 71 3.881 3.881 4.208 -0.327 18027 5119 1 8 . 1 1 71 71 MET CA C 71 56.106 56.106 58.767 -2.661 18027 5120 1 8 . 1 1 71 71 MET CB C 71 29.595 29.595 32.727 -3.132 18027 5121 1 8 . 1 1 71 71 MET H H 71 7.120 7.120 7.382 -0.262 18027 5122 1 8 . 1 1 72 72 MET N N 72 116.280 116.280 118.426 -2.146 18027 5123 1 8 . 1 1 72 72 MET HA H 72 3.817 3.817 4.281 -0.464 18027 5124 1 8 . 1 1 72 72 MET CA C 72 55.111 55.111 57.270 -2.159 18027 5125 1 8 . 1 1 72 72 MET CB C 72 27.892 27.892 32.474 -4.582 18027 5126 1 8 . 1 1 72 72 MET H H 72 7.737 7.737 7.507 0.230 18027 5127 1 8 . 1 1 73 73 ALA N N 73 119.984 119.984 118.719 1.265 18027 5128 1 8 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.157 -0.319 18027 5129 1 8 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.989 -2.177 18027 5130 1 8 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.439 -3.236 18027 5131 1 8 . 1 1 73 73 ALA H H 73 8.322 8.322 7.544 0.778 18027 5132 1 8 . 1 1 74 74 ARG N N 74 116.354 116.354 118.264 -1.910 18027 5133 1 8 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.152 -0.314 18027 5134 1 8 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.977 -3.019 18027 5135 1 8 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.562 -5.307 18027 5136 1 8 . 1 1 74 74 ARG H H 74 7.264 7.264 7.584 -0.320 18027 5137 1 8 . 1 1 75 75 LYS N N 75 120.084 120.084 118.364 1.720 18027 5138 1 8 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.526 -0.578 18027 5139 1 8 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.508 -2.649 18027 5140 1 8 . 1 1 75 75 LYS CB C 75 28.681 28.681 31.529 -2.848 18027 5141 1 8 . 1 1 75 75 LYS H H 75 7.756 7.756 7.576 0.180 18027 5142 1 8 . 1 1 76 76 MET N N 76 117.139 117.139 118.837 -1.698 18027 5143 1 8 . 1 1 76 76 MET HA H 76 4.168 4.168 4.398 -0.230 18027 5144 1 8 . 1 1 76 76 MET CA C 76 54.704 54.704 56.557 -1.853 18027 5145 1 8 . 1 1 76 76 MET CB C 76 30.052 30.052 32.755 -2.703 18027 5146 1 8 . 1 1 76 76 MET H H 76 7.985 7.985 7.613 0.372 18027 5147 1 8 . 1 1 77 77 LYS N N 77 116.614 116.614 116.016 0.598 18027 5148 1 8 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.405 -0.184 18027 5149 1 8 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.018 -2.834 18027 5150 1 8 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.352 -6.069 18027 5151 1 8 . 1 1 77 77 LYS H H 77 7.275 7.275 7.426 -0.151 18027 5152 1 8 . 1 1 78 78 ASP N N 78 123.187 123.187 119.941 3.246 18027 5153 1 8 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.716 -0.265 18027 5154 1 8 . 1 1 78 78 ASP CA C 78 51.732 51.732 55.342 -3.610 18027 5155 1 8 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.595 -3.204 18027 5156 1 8 . 1 1 78 78 ASP H H 78 8.181 8.181 7.755 0.426 18027 5157 1 8 . 1 1 79 79 THR N N 79 114.325 114.325 111.473 2.852 18027 5158 1 8 . 1 1 79 79 THR HA H 79 4.034 4.034 3.927 0.107 18027 5159 1 8 . 1 1 79 79 THR CA C 79 61.322 61.322 64.594 -3.272 18027 5160 1 8 . 1 1 79 79 THR CB C 79 66.147 66.147 66.717 -0.570 18027 5161 1 8 . 1 1 79 79 THR H H 79 8.377 8.377 8.348 0.029 18027 5162 1 8 . 1 1 80 80 ASP N N 80 120.844 120.844 119.524 1.320 18027 5163 1 8 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.779 -0.474 18027 5164 1 8 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.810 -3.138 18027 5165 1 8 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.736 -3.145 18027 5166 1 8 . 1 1 80 80 ASP H H 80 8.223 8.223 8.654 -0.431 18027 5167 1 8 . 1 1 81 81 SER N N 81 115.729 115.729 115.042 0.687 18027 5168 1 8 . 1 1 81 81 SER HA H 81 3.911 3.911 4.697 -0.786 18027 5169 1 8 . 1 1 81 81 SER CA C 81 57.939 57.939 60.407 -2.467 18027 5170 1 8 . 1 1 81 81 SER CB C 81 60.664 60.664 63.277 -2.613 18027 5171 1 8 . 1 1 81 81 SER H H 81 7.785 7.785 8.329 -0.544 18027 5172 1 8 . 1 1 82 82 GLU N N 82 121.960 121.960 121.608 0.352 18027 5173 1 8 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.160 -0.264 18027 5174 1 8 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.754 -1.925 18027 5175 1 8 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.539 -2.914 18027 5176 1 8 . 1 1 82 82 GLU H H 82 8.208 8.208 8.322 -0.114 18027 5177 1 8 . 1 1 83 83 GLU N N 83 118.040 118.040 117.036 1.004 18027 5178 1 8 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.151 -0.313 18027 5179 1 8 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.400 -2.455 18027 5180 1 8 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.282 -2.450 18027 5181 1 8 . 1 1 83 83 GLU H H 83 7.898 7.898 7.729 0.169 18027 5182 1 8 . 1 1 84 84 GLU N N 84 118.825 118.825 118.530 0.295 18027 5183 1 8 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.498 -3.740 18027 5184 1 8 . 1 1 84 84 GLU CB C 84 30.852 30.852 30.026 0.826 18027 5185 1 8 . 1 1 84 84 GLU H H 84 8.154 8.154 7.521 0.633 18027 5186 1 8 . 1 1 85 85 ILE N N 85 119.310 119.310 120.030 -0.720 18027 5187 1 8 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.870 -0.103 18027 5188 1 8 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.461 -4.603 18027 5189 1 8 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.865 -2.216 18027 5190 1 8 . 1 1 85 85 ILE H H 85 7.793 7.793 7.505 0.288 18027 5191 1 8 . 1 1 86 86 ARG N N 86 120.640 120.640 119.536 1.104 18027 5192 1 8 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.902 0.023 18027 5193 1 8 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.712 -2.447 18027 5194 1 8 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.991 -3.136 18027 5195 1 8 . 1 1 86 86 ARG H H 86 8.177 8.177 7.600 0.577 18027 5196 1 8 . 1 1 87 87 GLU N N 87 119.448 119.448 118.604 0.844 18027 5197 1 8 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.188 -0.336 18027 5198 1 8 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.962 -2.319 18027 5199 1 8 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.475 -3.421 18027 5200 1 8 . 1 1 87 87 GLU H H 87 7.828 7.828 7.468 0.360 18027 5201 1 8 . 1 1 88 88 ALA N N 88 122.592 122.592 121.675 0.917 18027 5202 1 8 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.352 -0.324 18027 5203 1 8 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.389 -1.792 18027 5204 1 8 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.596 -3.964 18027 5205 1 8 . 1 1 88 88 ALA H H 88 8.283 8.283 7.574 0.709 18027 5206 1 8 . 1 1 89 89 PHE N N 89 119.245 119.245 119.487 -0.242 18027 5207 1 8 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.053 -0.939 18027 5208 1 8 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.353 -1.808 18027 5209 1 8 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.663 -3.328 18027 5210 1 8 . 1 1 89 89 PHE H H 89 8.423 8.423 7.637 0.786 18027 5211 1 8 . 1 1 90 90 ARG N N 90 117.455 117.455 118.549 -1.094 18027 5212 1 8 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.302 -0.453 18027 5213 1 8 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.968 -2.655 18027 5214 1 8 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.634 -2.437 18027 5215 1 8 . 1 1 90 90 ARG H H 90 7.840 7.840 7.915 -0.075 18027 5216 1 8 . 1 1 91 91 VAL N N 91 118.698 118.698 118.460 0.238 18027 5217 1 8 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.781 -0.529 18027 5218 1 8 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.705 -1.372 18027 5219 1 8 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.674 -3.564 18027 5220 1 8 . 1 1 91 91 VAL H H 91 7.262 7.262 7.342 -0.080 18027 5221 1 8 . 1 1 92 92 PHE N N 92 112.495 112.495 118.267 -5.772 18027 5222 1 8 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.366 -0.432 18027 5223 1 8 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.332 -3.151 18027 5224 1 8 . 1 1 92 92 PHE CB C 92 39.419 39.419 40.425 -1.006 18027 5225 1 8 . 1 1 92 92 PHE H H 92 6.693 6.693 7.445 -0.752 18027 5226 1 8 . 1 1 93 93 ASP N N 93 117.214 117.214 117.691 -0.477 18027 5227 1 8 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.730 -0.296 18027 5228 1 8 . 1 1 93 93 ASP CA C 93 49.781 49.781 53.028 -3.247 18027 5229 1 8 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.623 -3.175 18027 5230 1 8 . 1 1 93 93 ASP H H 93 7.954 7.954 8.265 -0.311 18027 5231 1 8 . 1 1 94 94 LYS N N 94 125.565 125.565 123.695 1.870 18027 5232 1 8 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.229 -0.450 18027 5233 1 8 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.487 -2.808 18027 5234 1 8 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.400 -2.805 18027 5235 1 8 . 1 1 94 94 LYS H H 94 7.671 7.671 8.195 -0.524 18027 5236 1 8 . 1 1 95 95 ASP N N 95 114.041 114.041 118.194 -4.153 18027 5237 1 8 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.685 -0.277 18027 5238 1 8 . 1 1 95 95 ASP CA C 95 50.213 50.213 54.085 -3.872 18027 5239 1 8 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.290 -4.727 18027 5240 1 8 . 1 1 95 95 ASP H H 95 7.944 7.944 7.791 0.153 18027 5241 1 8 . 1 1 96 96 GLY N N 96 108.849 108.849 107.996 0.853 18027 5242 1 8 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.746 -1.547 18027 5243 1 8 . 1 1 96 96 GLY H H 96 7.529 7.529 8.065 -0.536 18027 5244 1 8 . 1 1 97 97 ASN N N 97 119.410 119.410 119.291 0.119 18027 5245 1 8 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.534 -0.110 18027 5246 1 8 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.437 -3.754 18027 5247 1 8 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.435 -1.872 18027 5248 1 8 . 1 1 97 97 ASN H H 97 8.234 8.234 8.442 -0.208 18027 5249 1 8 . 1 1 98 98 GLY N N 98 112.073 112.073 106.206 5.867 18027 5250 1 8 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.718 -3.542 18027 5251 1 8 . 1 1 98 98 GLY H H 98 10.298 10.298 8.384 1.914 18027 5252 1 8 . 1 1 99 99 TYR N N 99 116.011 116.011 115.172 0.839 18027 5253 1 8 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.235 -0.417 18027 5254 1 8 . 1 1 99 99 TYR CA C 99 53.681 53.681 54.478 -0.797 18027 5255 1 8 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.149 -0.274 18027 5256 1 8 . 1 1 99 99 TYR H H 99 7.497 7.497 7.177 0.320 18027 5257 1 8 . 1 1 100 100 ILE N N 100 126.793 126.793 120.990 5.803 18027 5258 1 8 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.345 0.078 18027 5259 1 8 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.299 -1.670 18027 5260 1 8 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.991 -3.243 18027 5261 1 8 . 1 1 100 100 ILE H H 100 9.833 9.833 7.746 2.087 18027 5262 1 8 . 1 1 101 101 SER N N 101 123.825 123.825 123.207 0.618 18027 5263 1 8 . 1 1 101 101 SER HA H 101 4.657 4.657 4.975 -0.318 18027 5264 1 8 . 1 1 101 101 SER CA C 101 53.060 53.060 56.859 -3.799 18027 5265 1 8 . 1 1 101 101 SER CB C 101 64.091 64.091 64.612 -0.521 18027 5266 1 8 . 1 1 101 101 SER H H 101 8.870 8.870 8.830 0.040 18027 5267 1 8 . 1 1 102 102 ALA N N 102 122.909 122.909 125.615 -2.706 18027 5268 1 8 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.116 -0.352 18027 5269 1 8 . 1 1 102 102 ALA CA C 102 53.050 53.050 54.743 -1.693 18027 5270 1 8 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.624 -3.649 18027 5271 1 8 . 1 1 102 102 ALA H H 102 9.209 9.209 8.761 0.448 18027 5272 1 8 . 1 1 103 103 ALA N N 103 118.692 118.692 120.411 -1.719 18027 5273 1 8 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.047 -0.173 18027 5274 1 8 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.999 -2.514 18027 5275 1 8 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.383 -3.180 18027 5276 1 8 . 1 1 103 103 ALA H H 103 8.146 8.146 7.808 0.338 18027 5277 1 8 . 1 1 104 104 GLU N N 104 120.098 120.098 118.603 1.495 18027 5278 1 8 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.211 -0.348 18027 5279 1 8 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.664 -2.089 18027 5280 1 8 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.463 -4.094 18027 5281 1 8 . 1 1 104 104 GLU H H 104 7.832 7.832 8.161 -0.329 18027 5282 1 8 . 1 1 105 105 LEU N N 105 121.466 121.466 120.839 0.627 18027 5283 1 8 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.023 0.093 18027 5284 1 8 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.898 -2.202 18027 5285 1 8 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.946 -2.983 18027 5286 1 8 . 1 1 105 105 LEU H H 105 8.300 8.300 7.605 0.695 18027 5287 1 8 . 1 1 106 106 ARG N N 106 118.978 118.978 118.543 0.435 18027 5288 1 8 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.907 -0.055 18027 5289 1 8 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.657 -2.223 18027 5290 1 8 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.857 -2.773 18027 5291 1 8 . 1 1 106 106 ARG H H 106 8.882 8.882 7.671 1.211 18027 5292 1 8 . 1 1 107 107 HIS N N 107 118.543 118.543 117.898 0.645 18027 5293 1 8 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.314 -0.114 18027 5294 1 8 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.564 -2.739 18027 5295 1 8 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.624 -2.884 18027 5296 1 8 . 1 1 107 107 HIS H H 107 7.991 7.991 7.866 0.125 18027 5297 1 8 . 1 1 108 108 VAL N N 108 118.687 118.687 117.825 0.862 18027 5298 1 8 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.816 -0.724 18027 5299 1 8 . 1 1 108 108 VAL CA C 108 64.210 64.210 65.575 -1.365 18027 5300 1 8 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.099 -2.189 18027 5301 1 8 . 1 1 108 108 VAL H H 108 7.425 7.425 7.398 0.027 18027 5302 1 8 . 1 1 109 109 MET N N 109 115.725 115.725 117.502 -1.777 18027 5303 1 8 . 1 1 109 109 MET HA H 109 3.944 3.944 4.346 -0.402 18027 5304 1 8 . 1 1 109 109 MET CA C 109 55.212 55.212 57.546 -2.334 18027 5305 1 8 . 1 1 109 109 MET CB C 109 27.425 27.425 32.352 -4.927 18027 5306 1 8 . 1 1 109 109 MET H H 109 7.972 7.972 7.666 0.306 18027 5307 1 8 . 1 1 110 110 THR N N 110 116.999 116.999 114.870 2.129 18027 5308 1 8 . 1 1 110 110 THR HA H 110 3.852 3.852 4.465 -0.613 18027 5309 1 8 . 1 1 110 110 THR CA C 110 63.918 63.918 64.763 -0.845 18027 5310 1 8 . 1 1 110 110 THR CB C 110 65.844 65.844 68.518 -2.674 18027 5311 1 8 . 1 1 110 110 THR H H 110 8.691 8.691 8.615 0.076 18027 5312 1 8 . 1 1 111 111 ASN N N 111 123.893 123.893 120.838 3.055 18027 5313 1 8 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.607 -0.366 18027 5314 1 8 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.442 -2.493 18027 5315 1 8 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.635 -3.671 18027 5316 1 8 . 1 1 111 111 ASN H H 111 7.911 7.911 7.966 -0.055 18027 5317 1 8 . 1 1 112 112 LEU N N 112 119.244 119.244 119.152 0.092 18027 5318 1 8 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.349 -0.277 18027 5319 1 8 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.532 -2.631 18027 5320 1 8 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.628 -3.095 18027 5321 1 8 . 1 1 112 112 LEU H H 112 7.618 7.618 7.416 0.202 18027 5322 1 8 . 1 1 113 113 GLY N N 113 107.263 107.263 106.940 0.323 18027 5323 1 8 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.793 -2.356 18027 5324 1 8 . 1 1 113 113 GLY H H 113 7.743 7.743 7.413 0.330 18027 5325 1 8 . 1 1 114 114 GLU N N 114 120.073 120.073 119.033 1.040 18027 5326 1 8 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.621 -0.331 18027 5327 1 8 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.883 -3.357 18027 5328 1 8 . 1 1 114 114 GLU CB C 114 27.539 27.539 33.005 -5.466 18027 5329 1 8 . 1 1 114 114 GLU H H 114 7.857 7.857 7.856 0.001 18027 5330 1 8 . 1 1 115 115 LYS N N 115 124.142 124.142 123.922 0.220 18027 5331 1 8 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.481 -0.261 18027 5332 1 8 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.519 -2.625 18027 5333 1 8 . 1 1 115 115 LYS CB C 115 29.481 29.481 32.972 -3.491 18027 5334 1 8 . 1 1 115 115 LYS H H 115 8.377 8.377 8.598 -0.221 18027 5335 1 8 . 1 1 116 116 LEU N N 116 125.240 125.240 124.693 0.547 18027 5336 1 8 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.643 -0.171 18027 5337 1 8 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.627 -2.189 18027 5338 1 8 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.378 -3.703 18027 5339 1 8 . 1 1 116 116 LEU H H 116 8.002 8.002 8.525 -0.523 18027 5340 1 8 . 1 1 117 117 THR N N 117 113.520 113.520 113.094 0.426 18027 5341 1 8 . 1 1 117 117 THR CA C 117 57.922 57.922 60.704 -2.782 18027 5342 1 8 . 1 1 117 117 THR CB C 117 68.352 68.352 70.478 -2.126 18027 5343 1 8 . 1 1 117 117 THR H H 117 8.927 8.927 8.842 0.085 18027 5344 1 8 . 1 1 118 118 ASP N N 118 120.859 120.859 121.075 -0.216 18027 5345 1 8 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.421 -0.378 18027 5346 1 8 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.405 -2.240 18027 5347 1 8 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.732 -3.958 18027 5348 1 8 . 1 1 118 118 ASP H H 118 8.754 8.754 8.793 -0.039 18027 5349 1 8 . 1 1 119 119 GLU N N 119 119.112 119.112 118.713 0.399 18027 5350 1 8 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.084 -0.157 18027 5351 1 8 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.097 -1.907 18027 5352 1 8 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.510 -3.227 18027 5353 1 8 . 1 1 119 119 GLU H H 119 8.507 8.507 8.733 -0.226 18027 5354 1 8 . 1 1 120 120 GLU N N 120 120.059 120.059 117.943 2.116 18027 5355 1 8 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.144 -0.286 18027 5356 1 8 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.377 -1.918 18027 5357 1 8 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.779 -2.262 18027 5358 1 8 . 1 1 120 120 GLU H H 120 7.809 7.809 7.977 -0.168 18027 5359 1 8 . 1 1 121 121 VAL N N 121 120.512 120.512 119.158 1.354 18027 5360 1 8 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.793 -0.321 18027 5361 1 8 . 1 1 121 121 VAL CA C 121 64.082 64.082 65.840 -1.758 18027 5362 1 8 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.537 -2.970 18027 5363 1 8 . 1 1 121 121 VAL H H 121 7.898 7.898 7.294 0.604 18027 5364 1 8 . 1 1 122 122 ASP N N 122 119.857 119.857 120.227 -0.370 18027 5365 1 8 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.320 -0.152 18027 5366 1 8 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.694 -2.788 18027 5367 1 8 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.935 -3.458 18027 5368 1 8 . 1 1 122 122 ASP H H 122 7.897 7.897 7.994 -0.097 18027 5369 1 8 . 1 1 123 123 GLU N N 123 119.630 119.630 118.417 1.213 18027 5370 1 8 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.085 -0.247 18027 5371 1 8 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.789 -1.712 18027 5372 1 8 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.686 -3.517 18027 5373 1 8 . 1 1 123 123 GLU H H 123 7.963 7.963 7.817 0.146 18027 5374 1 8 . 1 1 124 124 MET N N 124 119.144 119.144 117.755 1.389 18027 5375 1 8 . 1 1 124 124 MET HA H 124 3.859 3.859 4.253 -0.394 18027 5376 1 8 . 1 1 124 124 MET CA C 124 56.508 56.508 56.991 -0.483 18027 5377 1 8 . 1 1 124 124 MET CB C 124 29.253 29.253 32.386 -3.133 18027 5378 1 8 . 1 1 124 124 MET H H 124 7.631 7.631 7.884 -0.253 18027 5379 1 8 . 1 1 125 125 ILE N N 125 117.557 117.557 119.451 -1.894 18027 5380 1 8 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.845 -0.561 18027 5381 1 8 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.051 -2.912 18027 5382 1 8 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.541 -3.491 18027 5383 1 8 . 1 1 125 125 ILE H H 125 7.669 7.669 7.442 0.227 18027 5384 1 8 . 1 1 126 126 ARG N N 126 118.414 118.414 119.837 -1.423 18027 5385 1 8 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.155 -0.297 18027 5386 1 8 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.754 -1.952 18027 5387 1 8 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.695 -2.270 18027 5388 1 8 . 1 1 126 126 ARG H H 126 7.952 7.952 7.471 0.481 18027 5389 1 8 . 1 1 127 127 GLU N N 127 116.143 116.143 117.759 -1.616 18027 5390 1 8 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.306 -0.448 18027 5391 1 8 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.255 -2.040 18027 5392 1 8 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.012 -2.815 18027 5393 1 8 . 1 1 127 127 GLU H H 127 7.294 7.294 8.093 -0.799 18027 5394 1 8 . 1 1 128 128 ALA N N 128 116.994 116.994 119.646 -2.652 18027 5395 1 8 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.385 0.068 18027 5396 1 8 . 1 1 128 128 ALA CA C 128 48.172 48.172 52.108 -3.936 18027 5397 1 8 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.528 -0.756 18027 5398 1 8 . 1 1 128 128 ALA H H 128 7.110 7.110 7.205 -0.095 18027 5399 1 8 . 1 1 129 129 ASP N N 129 117.846 117.846 121.412 -3.566 18027 5400 1 8 . 1 1 129 129 ASP HA H 129 4.442 4.442 5.168 -0.726 18027 5401 1 8 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.235 -2.602 18027 5402 1 8 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.931 -2.426 18027 5403 1 8 . 1 1 129 129 ASP H H 129 7.508 7.508 8.560 -1.052 18027 5404 1 8 . 1 1 130 130 ILE N N 130 128.118 128.118 121.511 6.607 18027 5405 1 8 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.002 -0.252 18027 5406 1 8 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.782 -3.199 18027 5407 1 8 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.036 -2.273 18027 5408 1 8 . 1 1 130 130 ILE H H 130 8.168 8.168 8.517 -0.349 18027 5409 1 8 . 1 1 131 131 ASP N N 131 116.572 116.572 118.675 -2.103 18027 5410 1 8 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.590 -0.294 18027 5411 1 8 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.341 -2.219 18027 5412 1 8 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.426 -2.949 18027 5413 1 8 . 1 1 131 131 ASP H H 131 8.136 8.136 8.087 0.049 18027 5414 1 8 . 1 1 132 132 GLY N N 132 108.411 108.411 108.815 -0.404 18027 5415 1 8 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.036 -1.529 18027 5416 1 8 . 1 1 132 132 GLY H H 132 7.460 7.460 8.055 -0.595 18027 5417 1 8 . 1 1 133 133 ASP N N 133 120.424 120.424 120.344 0.080 18027 5418 1 8 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.471 -0.175 18027 5419 1 8 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.994 -3.141 18027 5420 1 8 . 1 1 133 133 ASP H H 133 8.177 8.177 8.163 0.014 18027 5421 1 8 . 1 1 134 134 GLY N N 134 112.396 112.396 108.048 4.348 18027 5422 1 8 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.158 -2.105 18027 5423 1 8 . 1 1 134 134 GLY H H 134 10.043 10.043 7.789 2.254 18027 5424 1 8 . 1 1 135 135 GLN N N 135 115.588 115.588 118.711 -3.123 18027 5425 1 8 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.031 -0.227 18027 5426 1 8 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.826 -3.411 18027 5427 1 8 . 1 1 135 135 GLN CB C 135 30.281 30.281 32.458 -2.176 18027 5428 1 8 . 1 1 135 135 GLN H H 135 7.866 7.866 7.521 0.344 18027 5429 1 8 . 1 1 136 136 VAL N N 136 124.910 124.910 121.907 3.003 18027 5430 1 8 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.281 0.718 18027 5431 1 8 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.240 -1.533 18027 5432 1 8 . 1 1 136 136 VAL CB C 136 31.080 31.080 31.968 -0.888 18027 5433 1 8 . 1 1 136 136 VAL H H 136 8.856 8.856 8.711 0.145 18027 5434 1 8 . 1 1 137 137 ASN N N 137 129.009 129.009 125.189 3.820 18027 5435 1 8 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.224 -0.051 18027 5436 1 8 . 1 1 137 137 ASN CA C 137 48.083 48.083 52.368 -4.285 18027 5437 1 8 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.952 -5.317 18027 5438 1 8 . 1 1 137 137 ASN H H 137 9.390 9.390 8.652 0.738 18027 5439 1 8 . 1 1 138 138 TYR N N 138 118.471 118.471 120.933 -2.462 18027 5440 1 8 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.256 0.222 18027 5441 1 8 . 1 1 138 138 TYR CA C 138 59.799 59.799 61.762 -1.963 18027 5442 1 8 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.346 -1.810 18027 5443 1 8 . 1 1 138 138 TYR H H 138 8.075 8.075 8.920 -0.845 18027 5444 1 8 . 1 1 139 139 GLU N N 139 118.535 118.535 119.668 -1.133 18027 5445 1 8 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.040 -0.202 18027 5446 1 8 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.209 -1.677 18027 5447 1 8 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.643 -2.703 18027 5448 1 8 . 1 1 139 139 GLU H H 139 7.925 7.925 8.027 -0.102 18027 5449 1 8 . 1 1 140 140 GLU N N 140 119.583 119.583 119.596 -0.013 18027 5450 1 8 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.133 -0.284 18027 5451 1 8 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.754 -2.672 18027 5452 1 8 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.405 -2.894 18027 5453 1 8 . 1 1 140 140 GLU H H 140 8.664 8.664 8.446 0.218 18027 5454 1 8 . 1 1 141 141 PHE N N 141 123.810 123.810 120.300 3.510 18027 5455 1 8 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.294 -0.573 18027 5456 1 8 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.267 -2.175 18027 5457 1 8 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.405 -1.700 18027 5458 1 8 . 1 1 141 141 PHE H H 141 8.395 8.395 8.435 -0.040 18027 5459 1 8 . 1 1 142 142 VAL N N 142 118.551 118.551 118.573 -0.022 18027 5460 1 8 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.716 -0.624 18027 5461 1 8 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.414 -2.232 18027 5462 1 8 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.997 -3.201 18027 5463 1 8 . 1 1 142 142 VAL H H 142 8.484 8.484 8.091 0.393 18027 5464 1 8 . 1 1 143 143 GLN N N 143 119.672 119.672 118.121 1.551 18027 5465 1 8 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.043 -0.205 18027 5466 1 8 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.253 -1.980 18027 5467 1 8 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.722 -3.810 18027 5468 1 8 . 1 1 143 143 GLN H H 143 7.803 7.803 7.610 0.193 18027 5469 1 8 . 1 1 144 144 MET N N 144 116.710 116.710 116.928 -0.218 18027 5470 1 8 . 1 1 144 144 MET HA H 144 3.943 3.943 4.080 -0.137 18027 5471 1 8 . 1 1 144 144 MET CA C 144 55.387 55.387 58.680 -3.293 18027 5472 1 8 . 1 1 144 144 MET CB C 144 29.709 29.709 32.459 -2.750 18027 5473 1 8 . 1 1 144 144 MET H H 144 7.322 7.322 7.313 0.009 18027 5474 1 8 . 1 1 145 145 MET N N 145 114.879 114.879 114.821 0.058 18027 5475 1 8 . 1 1 145 145 MET HA H 145 4.062 4.062 4.491 -0.429 18027 5476 1 8 . 1 1 145 145 MET CA C 145 53.291 53.291 56.050 -2.759 18027 5477 1 8 . 1 1 145 145 MET CB C 145 29.253 29.253 32.866 -3.613 18027 5478 1 8 . 1 1 145 145 MET H H 145 7.467 7.467 7.616 -0.149 18027 5479 1 8 . 1 1 146 146 THR N N 146 108.698 108.698 109.256 -0.558 18027 5480 1 8 . 1 1 146 146 THR HA H 146 4.136 4.136 4.409 -0.273 18027 5481 1 8 . 1 1 146 146 THR CA C 146 59.201 59.201 62.133 -2.932 18027 5482 1 8 . 1 1 146 146 THR CB C 146 67.404 67.404 69.570 -2.167 18027 5483 1 8 . 1 1 146 146 THR H H 146 7.551 7.551 7.525 0.026 18027 5484 1 8 . 1 1 147 147 ALA N N 147 126.669 126.669 125.719 0.950 18027 5485 1 8 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.468 -0.323 18027 5486 1 8 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.595 -1.522 18027 5487 1 8 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.429 -4.084 18027 5488 1 8 . 1 1 147 147 ALA H H 147 7.596 7.596 7.383 0.213 18027 5489 1 9 . 1 1 2 2 ASP N N 2 120.442 120.442 120.120 0.322 18027 5490 1 9 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.704 -0.251 18027 5491 1 9 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.622 -2.693 18027 5492 1 9 . 1 1 2 2 ASP CB C 2 38.505 38.505 42.085 -3.580 18027 5493 1 9 . 1 1 2 2 ASP H H 2 8.521 8.521 8.566 -0.045 18027 5494 1 9 . 1 1 3 3 GLN N N 3 119.769 119.769 120.090 -0.321 18027 5495 1 9 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.415 -0.197 18027 5496 1 9 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.288 -2.602 18027 5497 1 9 . 1 1 3 3 GLN H H 3 8.199 8.199 7.879 0.320 18027 5498 1 9 . 1 1 4 4 LEU N N 4 120.939 120.939 123.877 -2.938 18027 5499 1 9 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.441 0.042 18027 5500 1 9 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.664 -3.080 18027 5501 1 9 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.095 -2.534 18027 5502 1 9 . 1 1 4 4 LEU H H 4 7.510 7.510 8.599 -1.089 18027 5503 1 9 . 1 1 5 5 THR N N 5 112.777 112.777 113.769 -0.992 18027 5504 1 9 . 1 1 5 5 THR HA H 5 4.253 4.253 4.505 -0.252 18027 5505 1 9 . 1 1 5 5 THR CA C 5 57.873 57.873 61.610 -3.737 18027 5506 1 9 . 1 1 5 5 THR CB C 5 68.203 68.203 70.302 -2.099 18027 5507 1 9 . 1 1 5 5 THR H H 5 8.576 8.576 8.273 0.303 18027 5508 1 9 . 1 1 6 6 GLU N N 6 120.254 120.254 119.812 0.442 18027 5509 1 9 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.055 -0.261 18027 5510 1 9 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.429 -1.784 18027 5511 1 9 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.215 -2.929 18027 5512 1 9 . 1 1 6 6 GLU H H 6 8.874 8.874 8.868 0.006 18027 5513 1 9 . 1 1 7 7 GLU N N 7 119.637 119.637 119.040 0.597 18027 5514 1 9 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.163 -0.267 18027 5515 1 9 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.356 -2.180 18027 5516 1 9 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.212 -3.159 18027 5517 1 9 . 1 1 7 7 GLU H H 7 8.536 8.536 8.423 0.113 18027 5518 1 9 . 1 1 8 8 GLN N N 8 120.086 120.086 119.465 0.621 18027 5519 1 9 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.194 -0.355 18027 5520 1 9 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.141 -1.730 18027 5521 1 9 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.104 -2.479 18027 5522 1 9 . 1 1 8 8 GLN H H 8 7.499 7.499 7.720 -0.221 18027 5523 1 9 . 1 1 9 9 ILE N N 9 120.295 120.295 119.537 0.758 18027 5524 1 9 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.954 -0.287 18027 5525 1 9 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.066 -0.020 18027 5526 1 9 . 1 1 9 9 ILE H H 9 8.405 8.405 8.753 -0.348 18027 5527 1 9 . 1 1 10 10 ALA N N 10 121.503 121.503 121.229 0.274 18027 5528 1 9 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.114 -0.203 18027 5529 1 9 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.093 -2.436 18027 5530 1 9 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.177 -3.203 18027 5531 1 9 . 1 1 10 10 ALA H H 10 7.949 7.949 7.574 0.375 18027 5532 1 9 . 1 1 11 11 GLU N N 11 118.352 118.352 118.650 -0.298 18027 5533 1 9 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.145 -0.307 18027 5534 1 9 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.628 -1.955 18027 5535 1 9 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.711 -2.743 18027 5536 1 9 . 1 1 11 11 GLU H H 11 7.700 7.700 7.991 -0.291 18027 5537 1 9 . 1 1 12 12 PHE N N 12 117.277 117.277 121.212 -3.935 18027 5538 1 9 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.329 0.148 18027 5539 1 9 . 1 1 12 12 PHE CA C 12 59.655 59.655 60.728 -1.073 18027 5540 1 9 . 1 1 12 12 PHE CB C 12 35.535 35.535 38.826 -3.291 18027 5541 1 9 . 1 1 12 12 PHE H H 12 8.211 8.211 7.686 0.525 18027 5542 1 9 . 1 1 13 13 LYS N N 13 122.928 122.928 119.316 3.612 18027 5543 1 9 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.205 0.720 18027 5544 1 9 . 1 1 13 13 LYS CA C 13 57.154 57.154 58.998 -1.844 18027 5545 1 9 . 1 1 13 13 LYS CB C 13 26.169 26.169 31.756 -5.587 18027 5546 1 9 . 1 1 13 13 LYS H H 13 8.925 8.925 7.183 1.742 18027 5547 1 9 . 1 1 14 14 GLU N N 14 119.706 119.706 117.784 1.922 18027 5548 1 9 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.118 -0.260 18027 5549 1 9 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.574 -2.238 18027 5550 1 9 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.754 -3.471 18027 5551 1 9 . 1 1 14 14 GLU H H 14 7.824 7.824 7.568 0.256 18027 5552 1 9 . 1 1 15 15 ALA N N 15 123.880 123.880 122.386 1.494 18027 5553 1 9 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.310 -0.443 18027 5554 1 9 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.379 -1.544 18027 5555 1 9 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.657 -3.454 18027 5556 1 9 . 1 1 15 15 ALA H H 15 8.124 8.124 8.036 0.088 18027 5557 1 9 . 1 1 16 16 PHE N N 16 118.972 118.972 118.985 -0.013 18027 5558 1 9 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.133 -1.001 18027 5559 1 9 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.286 -0.303 18027 5560 1 9 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.215 -2.766 18027 5561 1 9 . 1 1 16 16 PHE H H 16 8.446 8.446 8.214 0.232 18027 5562 1 9 . 1 1 17 17 SER N N 17 114.737 114.737 113.948 0.789 18027 5563 1 9 . 1 1 17 17 SER HA H 17 3.902 3.902 4.274 -0.372 18027 5564 1 9 . 1 1 17 17 SER CA C 17 58.999 58.999 59.762 -0.763 18027 5565 1 9 . 1 1 17 17 SER CB C 17 60.436 60.436 62.718 -2.283 18027 5566 1 9 . 1 1 17 17 SER H H 17 7.874 7.874 7.687 0.187 18027 5567 1 9 . 1 1 18 18 LEU N N 18 120.225 120.225 120.964 -0.739 18027 5568 1 9 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.034 -0.249 18027 5569 1 9 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.216 -2.487 18027 5570 1 9 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.270 -4.108 18027 5571 1 9 . 1 1 18 18 LEU H H 18 7.183 7.183 7.338 -0.155 18027 5572 1 9 . 1 1 19 19 PHE N N 19 112.357 112.357 113.012 -0.655 18027 5573 1 9 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.453 -2.029 18027 5574 1 9 . 1 1 19 19 PHE H H 19 6.977 6.977 7.450 -0.473 18027 5575 1 9 . 1 1 20 20 ASP N N 20 117.274 117.274 120.175 -2.901 18027 5576 1 9 . 1 1 20 20 ASP HA H 20 4.432 4.432 5.132 -0.700 18027 5577 1 9 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.776 -3.264 18027 5578 1 9 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.429 -3.752 18027 5579 1 9 . 1 1 20 20 ASP H H 20 7.446 7.446 7.562 -0.116 18027 5580 1 9 . 1 1 21 21 LYS N N 21 124.296 124.296 121.473 2.823 18027 5581 1 9 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.199 -0.361 18027 5582 1 9 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.654 -1.975 18027 5583 1 9 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.341 -2.746 18027 5584 1 9 . 1 1 21 21 LYS H H 21 7.520 7.520 8.468 -0.948 18027 5585 1 9 . 1 1 22 22 ASP N N 22 113.761 113.761 118.732 -4.971 18027 5586 1 9 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.700 -0.266 18027 5587 1 9 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.825 -4.764 18027 5588 1 9 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.298 -4.735 18027 5589 1 9 . 1 1 22 22 ASP H H 22 7.819 7.819 8.158 -0.339 18027 5590 1 9 . 1 1 23 23 GLY N N 23 108.838 108.838 107.095 1.743 18027 5591 1 9 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.681 -1.376 18027 5592 1 9 . 1 1 23 23 GLY H H 23 7.497 7.497 8.311 -0.814 18027 5593 1 9 . 1 1 24 24 ASP N N 24 120.790 120.790 120.416 0.374 18027 5594 1 9 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.701 -0.351 18027 5595 1 9 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.420 -3.567 18027 5596 1 9 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.919 -4.556 18027 5597 1 9 . 1 1 24 24 ASP H H 24 8.312 8.312 8.300 0.012 18027 5598 1 9 . 1 1 25 25 GLY N N 25 112.499 112.499 110.672 1.827 18027 5599 1 9 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.173 -2.753 18027 5600 1 9 . 1 1 25 25 GLY H H 25 10.352 10.352 8.330 2.022 18027 5601 1 9 . 1 1 26 26 THR N N 26 111.781 111.781 112.062 -0.281 18027 5602 1 9 . 1 1 26 26 THR HA H 26 5.316 5.316 5.747 -0.431 18027 5603 1 9 . 1 1 26 26 THR CA C 26 56.878 56.878 60.690 -3.812 18027 5604 1 9 . 1 1 26 26 THR CB C 26 70.031 70.031 72.577 -2.546 18027 5605 1 9 . 1 1 26 26 THR H H 26 8.018 8.018 8.934 -0.916 18027 5606 1 9 . 1 1 27 27 ILE N N 27 126.162 126.162 124.472 1.690 18027 5607 1 9 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.525 0.133 18027 5608 1 9 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.275 -1.798 18027 5609 1 9 . 1 1 27 27 ILE CB C 27 37.572 37.572 38.678 -1.106 18027 5610 1 9 . 1 1 27 27 ILE H H 27 9.769 9.769 8.700 1.069 18027 5611 1 9 . 1 1 28 28 THR N N 28 116.311 116.311 122.126 -5.815 18027 5612 1 9 . 1 1 28 28 THR HA H 28 4.669 4.669 5.018 -0.349 18027 5613 1 9 . 1 1 28 28 THR CA C 28 56.878 56.878 62.604 -5.726 18027 5614 1 9 . 1 1 28 28 THR CB C 28 69.688 69.688 70.044 -0.356 18027 5615 1 9 . 1 1 28 28 THR H H 28 8.302 8.302 8.199 0.103 18027 5616 1 9 . 1 1 29 29 THR N N 29 112.465 112.465 115.435 -2.970 18027 5617 1 9 . 1 1 29 29 THR HA H 29 3.633 3.633 3.966 -0.333 18027 5618 1 9 . 1 1 29 29 THR CA C 29 63.820 63.820 66.203 -2.383 18027 5619 1 9 . 1 1 29 29 THR CB C 29 65.160 65.160 68.821 -3.661 18027 5620 1 9 . 1 1 29 29 THR H H 29 9.078 9.078 8.872 0.206 18027 5621 1 9 . 1 1 30 30 LYS N N 30 120.792 120.792 119.372 1.420 18027 5622 1 9 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.162 -0.207 18027 5623 1 9 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.435 -1.866 18027 5624 1 9 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.164 -1.569 18027 5625 1 9 . 1 1 30 30 LYS H H 30 7.467 7.467 8.429 -0.962 18027 5626 1 9 . 1 1 31 31 GLU N N 31 121.359 121.359 118.775 2.584 18027 5627 1 9 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.135 -0.229 18027 5628 1 9 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.446 -1.768 18027 5629 1 9 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.776 -2.694 18027 5630 1 9 . 1 1 31 31 GLU H H 31 7.574 7.574 7.486 0.088 18027 5631 1 9 . 1 1 32 32 LEU N N 32 120.087 120.087 121.025 -0.938 18027 5632 1 9 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.315 -0.258 18027 5633 1 9 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.713 -2.141 18027 5634 1 9 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.172 -2.320 18027 5635 1 9 . 1 1 32 32 LEU H H 32 8.712 8.712 7.879 0.833 18027 5636 1 9 . 1 1 33 33 GLY N N 33 105.634 105.634 104.355 1.279 18027 5637 1 9 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.200 -1.563 18027 5638 1 9 . 1 1 33 33 GLY H H 33 8.696 8.696 7.790 0.906 18027 5639 1 9 . 1 1 34 34 THR N N 34 117.265 117.265 118.262 -0.997 18027 5640 1 9 . 1 1 34 34 THR HA H 34 3.810 3.810 3.975 -0.165 18027 5641 1 9 . 1 1 34 34 THR CA C 34 64.259 64.259 67.036 -2.777 18027 5642 1 9 . 1 1 34 34 THR CB C 34 66.033 66.033 68.527 -2.494 18027 5643 1 9 . 1 1 34 34 THR H H 34 7.785 7.785 7.533 0.252 18027 5644 1 9 . 1 1 35 35 VAL N N 35 121.498 121.498 120.426 1.072 18027 5645 1 9 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.728 -0.327 18027 5646 1 9 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.389 -1.081 18027 5647 1 9 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.610 -2.814 18027 5648 1 9 . 1 1 35 35 VAL H H 35 7.268 7.268 7.255 0.013 18027 5649 1 9 . 1 1 36 36 MET N N 36 117.302 117.302 117.161 0.141 18027 5650 1 9 . 1 1 36 36 MET HA H 36 3.842 3.842 4.315 -0.473 18027 5651 1 9 . 1 1 36 36 MET CA C 36 56.606 56.606 57.187 -0.581 18027 5652 1 9 . 1 1 36 36 MET CB C 36 28.453 28.453 31.697 -3.244 18027 5653 1 9 . 1 1 36 36 MET H H 36 8.487 8.487 7.484 1.003 18027 5654 1 9 . 1 1 37 37 ARG N N 37 118.262 118.262 119.326 -1.064 18027 5655 1 9 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.369 0.288 18027 5656 1 9 . 1 1 37 37 ARG CA C 37 56.480 56.480 59.180 -2.700 18027 5657 1 9 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.059 -3.319 18027 5658 1 9 . 1 1 37 37 ARG H H 37 8.330 8.330 7.737 0.593 18027 5659 1 9 . 1 1 38 38 SER N N 38 117.873 117.873 113.926 3.947 18027 5660 1 9 . 1 1 38 38 SER H H 38 7.815 7.815 7.725 0.090 18027 5661 1 9 . 1 1 39 39 LEU N N 39 117.970 117.970 119.237 -1.267 18027 5662 1 9 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.380 -0.308 18027 5663 1 9 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.182 -3.744 18027 5664 1 9 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.587 -4.425 18027 5665 1 9 . 1 1 39 39 LEU H H 39 7.326 7.326 7.240 0.086 18027 5666 1 9 . 1 1 40 40 GLY N N 40 106.755 106.755 105.745 1.010 18027 5667 1 9 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.828 -2.164 18027 5668 1 9 . 1 1 40 40 GLY H H 40 7.636 7.636 7.650 -0.014 18027 5669 1 9 . 1 1 41 41 GLN N N 41 118.316 118.316 119.615 -1.299 18027 5670 1 9 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.588 -0.303 18027 5671 1 9 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.144 -3.291 18027 5672 1 9 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.943 -4.632 18027 5673 1 9 . 1 1 41 41 GLN H H 41 7.827 7.827 8.396 -0.569 18027 5674 1 9 . 1 1 42 42 ASN N N 42 115.866 115.866 120.666 -4.800 18027 5675 1 9 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.087 -0.074 18027 5676 1 9 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.653 -3.091 18027 5677 1 9 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.542 -3.224 18027 5678 1 9 . 1 1 42 42 ASN H H 42 8.557 8.557 8.680 -0.123 18027 5679 1 9 . 1 1 44 44 THR N N 44 113.035 113.035 114.705 -1.670 18027 5680 1 9 . 1 1 44 44 THR HA H 44 4.296 4.296 4.534 -0.238 18027 5681 1 9 . 1 1 44 44 THR CA C 44 57.922 57.922 60.775 -2.853 18027 5682 1 9 . 1 1 44 44 THR CB C 44 68.317 68.317 70.850 -2.533 18027 5683 1 9 . 1 1 44 44 THR H H 44 8.694 8.694 7.904 0.790 18027 5684 1 9 . 1 1 45 45 GLU N N 45 120.283 120.283 121.401 -1.118 18027 5685 1 9 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.102 -0.206 18027 5686 1 9 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.685 -2.329 18027 5687 1 9 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.356 -3.640 18027 5688 1 9 . 1 1 45 45 GLU H H 45 8.687 8.687 8.835 -0.147 18027 5689 1 9 . 1 1 46 46 ALA N N 46 120.685 120.685 121.772 -1.087 18027 5690 1 9 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.208 -0.338 18027 5691 1 9 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.755 -2.439 18027 5692 1 9 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.121 -3.032 18027 5693 1 9 . 1 1 46 46 ALA H H 46 8.153 8.153 8.291 -0.138 18027 5694 1 9 . 1 1 47 47 GLU N N 47 118.546 118.546 118.090 0.456 18027 5695 1 9 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.183 -0.324 18027 5696 1 9 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.970 -2.462 18027 5697 1 9 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.308 -2.568 18027 5698 1 9 . 1 1 47 47 GLU H H 47 7.554 7.554 8.448 -0.894 18027 5699 1 9 . 1 1 48 48 LEU N N 48 120.085 120.085 119.889 0.196 18027 5700 1 9 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.120 -0.180 18027 5701 1 9 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.748 -2.380 18027 5702 1 9 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.964 -2.545 18027 5703 1 9 . 1 1 48 48 LEU H H 48 8.247 8.247 7.958 0.289 18027 5704 1 9 . 1 1 49 49 GLN N N 49 118.119 118.119 117.196 0.923 18027 5705 1 9 . 1 1 49 49 GLN HA H 49 3.913 3.913 3.995 -0.082 18027 5706 1 9 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.999 -2.296 18027 5707 1 9 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.409 -2.012 18027 5708 1 9 . 1 1 49 49 GLN H H 49 7.891 7.891 7.818 0.073 18027 5709 1 9 . 1 1 50 50 ASP N N 50 119.263 119.263 120.669 -1.406 18027 5710 1 9 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.456 -0.277 18027 5711 1 9 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.827 -1.951 18027 5712 1 9 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.992 -3.744 18027 5713 1 9 . 1 1 50 50 ASP H H 50 7.803 7.803 7.609 0.194 18027 5714 1 9 . 1 1 51 51 MET N N 51 120.178 120.178 117.405 2.773 18027 5715 1 9 . 1 1 51 51 MET HA H 51 3.966 3.966 4.221 -0.255 18027 5716 1 9 . 1 1 51 51 MET CA C 51 57.074 57.074 58.575 -1.501 18027 5717 1 9 . 1 1 51 51 MET CB C 51 29.975 29.975 33.282 -3.307 18027 5718 1 9 . 1 1 51 51 MET H H 51 7.831 7.831 7.408 0.423 18027 5719 1 9 . 1 1 52 52 ILE N N 52 116.856 116.856 120.151 -3.295 18027 5720 1 9 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.672 -0.324 18027 5721 1 9 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.034 -2.359 18027 5722 1 9 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.417 -3.595 18027 5723 1 9 . 1 1 52 52 ILE H H 52 7.703 7.703 7.680 0.023 18027 5724 1 9 . 1 1 53 53 ASN N N 53 117.417 117.417 114.562 2.855 18027 5725 1 9 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.458 -0.205 18027 5726 1 9 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.620 -2.579 18027 5727 1 9 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.279 -3.200 18027 5728 1 9 . 1 1 53 53 ASN H H 53 8.187 8.187 7.866 0.321 18027 5729 1 9 . 1 1 54 54 GLU N N 54 116.996 116.996 118.460 -1.464 18027 5730 1 9 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.220 -0.361 18027 5731 1 9 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.398 -2.525 18027 5732 1 9 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.433 -4.036 18027 5733 1 9 . 1 1 54 54 GLU H H 54 7.391 7.391 7.552 -0.161 18027 5734 1 9 . 1 1 55 55 VAL N N 55 114.596 114.596 114.669 -0.073 18027 5735 1 9 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.122 -0.135 18027 5736 1 9 . 1 1 55 55 VAL CA C 55 58.945 58.945 63.034 -4.089 18027 5737 1 9 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.959 -2.221 18027 5738 1 9 . 1 1 55 55 VAL H H 55 7.151 7.151 7.501 -0.350 18027 5739 1 9 . 1 1 56 56 ASP N N 56 119.670 119.670 121.860 -2.190 18027 5740 1 9 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.513 -0.196 18027 5741 1 9 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.424 -4.068 18027 5742 1 9 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.109 -3.518 18027 5743 1 9 . 1 1 56 56 ASP H H 56 7.913 7.913 8.216 -0.303 18027 5744 1 9 . 1 1 57 57 ALA N N 57 131.491 131.491 128.593 2.898 18027 5745 1 9 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.168 -0.067 18027 5746 1 9 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.519 -2.336 18027 5747 1 9 . 1 1 57 57 ALA H H 57 8.126 8.126 8.768 -0.642 18027 5748 1 9 . 1 1 58 58 ASP N N 58 114.255 114.255 117.297 -3.042 18027 5749 1 9 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.641 -0.207 18027 5750 1 9 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.876 -4.915 18027 5751 1 9 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.811 -5.248 18027 5752 1 9 . 1 1 58 58 ASP H H 58 8.130 8.130 8.145 -0.015 18027 5753 1 9 . 1 1 59 59 GLY N N 59 108.987 108.987 108.487 0.500 18027 5754 1 9 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.332 -1.036 18027 5755 1 9 . 1 1 59 59 GLY H H 59 7.504 7.504 8.652 -1.148 18027 5756 1 9 . 1 1 60 60 ASN N N 60 118.770 118.770 118.004 0.766 18027 5757 1 9 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.854 -0.425 18027 5758 1 9 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.677 -2.818 18027 5759 1 9 . 1 1 60 60 ASN CB C 60 34.507 34.507 39.931 -5.424 18027 5760 1 9 . 1 1 60 60 ASN H H 60 8.095 8.095 8.655 -0.560 18027 5761 1 9 . 1 1 61 61 GLY N N 61 112.773 112.773 109.490 3.283 18027 5762 1 9 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.346 -2.634 18027 5763 1 9 . 1 1 61 61 GLY H H 61 10.280 10.280 8.965 1.315 18027 5764 1 9 . 1 1 62 62 THR N N 62 108.117 108.117 111.152 -3.035 18027 5765 1 9 . 1 1 62 62 THR HA H 62 4.672 4.672 4.907 -0.235 18027 5766 1 9 . 1 1 62 62 THR CA C 62 56.878 56.878 60.198 -3.320 18027 5767 1 9 . 1 1 62 62 THR CB C 62 69.688 69.688 71.620 -1.932 18027 5768 1 9 . 1 1 62 62 THR H H 62 7.475 7.475 7.768 -0.293 18027 5769 1 9 . 1 1 63 63 ILE N N 63 122.642 122.642 122.633 0.009 18027 5770 1 9 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.391 0.405 18027 5771 1 9 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.040 -2.228 18027 5772 1 9 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.119 -3.756 18027 5773 1 9 . 1 1 63 63 ILE H H 63 8.449 8.449 8.270 0.179 18027 5774 1 9 . 1 1 64 64 ASP N N 64 128.633 128.633 126.102 2.531 18027 5775 1 9 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.367 -0.051 18027 5776 1 9 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.076 -3.796 18027 5777 1 9 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.808 -4.047 18027 5778 1 9 . 1 1 64 64 ASP H H 64 9.011 9.011 8.487 0.524 18027 5779 1 9 . 1 1 65 65 PHE N N 65 118.892 118.892 116.715 2.177 18027 5780 1 9 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.595 -0.828 18027 5781 1 9 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.995 -0.782 18027 5782 1 9 . 1 1 65 65 PHE H H 65 8.766 8.766 8.357 0.409 18027 5783 1 9 . 1 1 67 67 GLU N N 67 118.675 118.675 115.255 3.420 18027 5784 1 9 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.266 -0.429 18027 5785 1 9 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.261 -0.656 18027 5786 1 9 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.465 -2.068 18027 5787 1 9 . 1 1 67 67 GLU H H 67 7.487 7.487 8.719 -1.232 18027 5788 1 9 . 1 1 68 68 PHE N N 68 123.182 123.182 122.160 1.022 18027 5789 1 9 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.308 -0.640 18027 5790 1 9 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.604 -3.175 18027 5791 1 9 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.724 -2.133 18027 5792 1 9 . 1 1 68 68 PHE H H 68 8.066 8.066 7.508 0.558 18027 5793 1 9 . 1 1 69 69 LEU N N 69 119.530 119.530 117.796 1.734 18027 5794 1 9 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.107 -0.152 18027 5795 1 9 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.989 -2.215 18027 5796 1 9 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.317 -1.898 18027 5797 1 9 . 1 1 69 69 LEU H H 69 8.672 8.672 7.832 0.840 18027 5798 1 9 . 1 1 70 70 THR N N 70 113.765 113.765 115.210 -1.445 18027 5799 1 9 . 1 1 70 70 THR HA H 70 3.806 3.806 3.971 -0.165 18027 5800 1 9 . 1 1 70 70 THR CA C 70 63.861 63.861 66.782 -2.921 18027 5801 1 9 . 1 1 70 70 THR CB C 70 66.147 66.147 68.541 -2.394 18027 5802 1 9 . 1 1 70 70 THR H H 70 7.909 7.909 7.759 0.150 18027 5803 1 9 . 1 1 71 71 MET N N 71 119.518 119.518 120.590 -1.072 18027 5804 1 9 . 1 1 71 71 MET HA H 71 3.881 3.881 4.140 -0.259 18027 5805 1 9 . 1 1 71 71 MET CA C 71 56.106 56.106 58.668 -2.562 18027 5806 1 9 . 1 1 71 71 MET CB C 71 29.595 29.595 32.498 -2.903 18027 5807 1 9 . 1 1 71 71 MET H H 71 7.120 7.120 7.372 -0.252 18027 5808 1 9 . 1 1 72 72 MET N N 72 116.280 116.280 118.088 -1.808 18027 5809 1 9 . 1 1 72 72 MET HA H 72 3.817 3.817 4.044 -0.227 18027 5810 1 9 . 1 1 72 72 MET CA C 72 55.111 55.111 59.018 -3.907 18027 5811 1 9 . 1 1 72 72 MET CB C 72 27.892 27.892 32.649 -4.757 18027 5812 1 9 . 1 1 72 72 MET H H 72 7.737 7.737 7.453 0.284 18027 5813 1 9 . 1 1 73 73 ALA N N 73 119.984 119.984 118.781 1.203 18027 5814 1 9 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.156 -0.318 18027 5815 1 9 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.826 -2.014 18027 5816 1 9 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.375 -3.172 18027 5817 1 9 . 1 1 73 73 ALA H H 73 8.322 8.322 7.608 0.714 18027 5818 1 9 . 1 1 74 74 ARG N N 74 116.354 116.354 119.012 -2.658 18027 5819 1 9 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.121 -0.283 18027 5820 1 9 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.931 -2.974 18027 5821 1 9 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.634 -5.379 18027 5822 1 9 . 1 1 74 74 ARG H H 74 7.264 7.264 7.815 -0.551 18027 5823 1 9 . 1 1 75 75 LYS N N 75 120.084 120.084 118.909 1.175 18027 5824 1 9 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.438 -0.490 18027 5825 1 9 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.926 -3.067 18027 5826 1 9 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.178 -3.497 18027 5827 1 9 . 1 1 75 75 LYS H H 75 7.756 7.756 7.516 0.240 18027 5828 1 9 . 1 1 76 76 MET N N 76 117.139 117.139 118.116 -0.977 18027 5829 1 9 . 1 1 76 76 MET HA H 76 4.168 4.168 4.387 -0.219 18027 5830 1 9 . 1 1 76 76 MET CA C 76 54.704 54.704 56.226 -1.522 18027 5831 1 9 . 1 1 76 76 MET CB C 76 30.052 30.052 32.591 -2.539 18027 5832 1 9 . 1 1 76 76 MET H H 76 7.985 7.985 7.419 0.566 18027 5833 1 9 . 1 1 77 77 LYS N N 77 116.614 116.614 117.536 -0.922 18027 5834 1 9 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.388 -0.167 18027 5835 1 9 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.291 -3.107 18027 5836 1 9 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.516 -6.233 18027 5837 1 9 . 1 1 77 77 LYS H H 77 7.275 7.275 7.425 -0.150 18027 5838 1 9 . 1 1 78 78 ASP N N 78 123.187 123.187 119.779 3.408 18027 5839 1 9 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.738 -0.287 18027 5840 1 9 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.742 -3.010 18027 5841 1 9 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.493 -3.102 18027 5842 1 9 . 1 1 78 78 ASP H H 78 8.181 8.181 7.815 0.366 18027 5843 1 9 . 1 1 79 79 THR N N 79 114.325 114.325 112.434 1.891 18027 5844 1 9 . 1 1 79 79 THR HA H 79 4.034 4.034 3.954 0.080 18027 5845 1 9 . 1 1 79 79 THR CA C 79 61.322 61.322 64.460 -3.138 18027 5846 1 9 . 1 1 79 79 THR CB C 79 66.147 66.147 66.912 -0.765 18027 5847 1 9 . 1 1 79 79 THR H H 79 8.377 8.377 8.387 -0.010 18027 5848 1 9 . 1 1 80 80 ASP N N 80 120.844 120.844 119.256 1.588 18027 5849 1 9 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.784 -0.479 18027 5850 1 9 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.590 -2.917 18027 5851 1 9 . 1 1 80 80 ASP CB C 80 37.591 37.591 41.017 -3.426 18027 5852 1 9 . 1 1 80 80 ASP H H 80 8.223 8.223 8.632 -0.409 18027 5853 1 9 . 1 1 81 81 SER N N 81 115.729 115.729 114.616 1.113 18027 5854 1 9 . 1 1 81 81 SER HA H 81 3.911 3.911 4.396 -0.485 18027 5855 1 9 . 1 1 81 81 SER CA C 81 57.939 57.939 59.941 -2.002 18027 5856 1 9 . 1 1 81 81 SER CB C 81 60.664 60.664 62.946 -2.282 18027 5857 1 9 . 1 1 81 81 SER H H 81 7.785 7.785 8.329 -0.544 18027 5858 1 9 . 1 1 82 82 GLU N N 82 121.960 121.960 122.255 -0.295 18027 5859 1 9 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.093 -0.197 18027 5860 1 9 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.852 -2.023 18027 5861 1 9 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.414 -2.789 18027 5862 1 9 . 1 1 82 82 GLU H H 82 8.208 8.208 8.452 -0.244 18027 5863 1 9 . 1 1 83 83 GLU N N 83 118.040 118.040 117.729 0.311 18027 5864 1 9 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.143 -0.305 18027 5865 1 9 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.893 -2.948 18027 5866 1 9 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.272 -2.440 18027 5867 1 9 . 1 1 83 83 GLU H H 83 7.898 7.898 7.840 0.058 18027 5868 1 9 . 1 1 84 84 GLU N N 84 118.825 118.825 119.931 -1.106 18027 5869 1 9 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.570 -3.812 18027 5870 1 9 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.787 1.065 18027 5871 1 9 . 1 1 84 84 GLU H H 84 8.154 8.154 7.446 0.708 18027 5872 1 9 . 1 1 85 85 ILE N N 85 119.310 119.310 119.265 0.045 18027 5873 1 9 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.888 -0.121 18027 5874 1 9 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.754 -4.896 18027 5875 1 9 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.828 -2.179 18027 5876 1 9 . 1 1 85 85 ILE H H 85 7.793 7.793 7.496 0.297 18027 5877 1 9 . 1 1 86 86 ARG N N 86 120.640 120.640 119.592 1.048 18027 5878 1 9 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.972 -0.047 18027 5879 1 9 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.456 -2.191 18027 5880 1 9 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.366 -2.512 18027 5881 1 9 . 1 1 86 86 ARG H H 86 8.177 8.177 7.840 0.337 18027 5882 1 9 . 1 1 87 87 GLU N N 87 119.448 119.448 119.310 0.138 18027 5883 1 9 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.224 -0.372 18027 5884 1 9 . 1 1 87 87 GLU CA C 87 56.643 56.643 59.021 -2.378 18027 5885 1 9 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.364 -3.311 18027 5886 1 9 . 1 1 87 87 GLU H H 87 7.828 7.828 7.583 0.245 18027 5887 1 9 . 1 1 88 88 ALA N N 88 122.592 122.592 122.257 0.335 18027 5888 1 9 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.391 -0.363 18027 5889 1 9 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.811 -2.215 18027 5890 1 9 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.735 -4.103 18027 5891 1 9 . 1 1 88 88 ALA H H 88 8.283 8.283 7.535 0.748 18027 5892 1 9 . 1 1 89 89 PHE N N 89 119.245 119.245 119.585 -0.340 18027 5893 1 9 . 1 1 89 89 PHE HA H 89 3.114 3.114 3.931 -0.817 18027 5894 1 9 . 1 1 89 89 PHE CA C 89 59.545 59.545 60.849 -1.304 18027 5895 1 9 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.582 -3.247 18027 5896 1 9 . 1 1 89 89 PHE H H 89 8.423 8.423 8.590 -0.167 18027 5897 1 9 . 1 1 90 90 ARG N N 90 117.455 117.455 118.564 -1.109 18027 5898 1 9 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.147 -0.298 18027 5899 1 9 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.270 -1.957 18027 5900 1 9 . 1 1 90 90 ARG CB C 90 27.197 27.197 28.949 -1.752 18027 5901 1 9 . 1 1 90 90 ARG H H 90 7.840 7.840 7.725 0.115 18027 5902 1 9 . 1 1 91 91 VAL N N 91 118.698 118.698 118.833 -0.135 18027 5903 1 9 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.844 -0.592 18027 5904 1 9 . 1 1 91 91 VAL CA C 91 63.333 63.333 65.575 -2.242 18027 5905 1 9 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.642 -3.532 18027 5906 1 9 . 1 1 91 91 VAL H H 91 7.262 7.262 7.360 -0.098 18027 5907 1 9 . 1 1 92 92 PHE N N 92 112.495 112.495 118.110 -5.615 18027 5908 1 9 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.364 -0.430 18027 5909 1 9 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.488 -3.307 18027 5910 1 9 . 1 1 92 92 PHE CB C 92 39.419 39.419 40.377 -0.958 18027 5911 1 9 . 1 1 92 92 PHE H H 92 6.693 6.693 7.390 -0.697 18027 5912 1 9 . 1 1 93 93 ASP N N 93 117.214 117.214 117.530 -0.316 18027 5913 1 9 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.722 -0.288 18027 5914 1 9 . 1 1 93 93 ASP CA C 93 49.781 49.781 53.008 -3.227 18027 5915 1 9 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.498 -3.049 18027 5916 1 9 . 1 1 93 93 ASP H H 93 7.954 7.954 8.264 -0.310 18027 5917 1 9 . 1 1 94 94 LYS N N 94 125.565 125.565 124.176 1.389 18027 5918 1 9 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.052 -0.273 18027 5919 1 9 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.932 -3.253 18027 5920 1 9 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.620 -3.025 18027 5921 1 9 . 1 1 94 94 LYS H H 94 7.671 7.671 8.263 -0.592 18027 5922 1 9 . 1 1 95 95 ASP N N 95 114.041 114.041 117.001 -2.960 18027 5923 1 9 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.558 -0.150 18027 5924 1 9 . 1 1 95 95 ASP CA C 95 50.213 50.213 54.769 -4.556 18027 5925 1 9 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.927 -5.364 18027 5926 1 9 . 1 1 95 95 ASP H H 95 7.944 7.944 7.753 0.191 18027 5927 1 9 . 1 1 96 96 GLY N N 96 108.849 108.849 109.121 -0.272 18027 5928 1 9 . 1 1 96 96 GLY CA C 96 44.199 44.199 46.303 -2.104 18027 5929 1 9 . 1 1 96 96 GLY H H 96 7.529 7.529 8.472 -0.943 18027 5930 1 9 . 1 1 97 97 ASN N N 97 119.410 119.410 119.992 -0.582 18027 5931 1 9 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.358 0.066 18027 5932 1 9 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.473 -3.790 18027 5933 1 9 . 1 1 97 97 ASN CB C 97 36.563 36.563 37.760 -1.197 18027 5934 1 9 . 1 1 97 97 ASN H H 97 8.234 8.234 8.491 -0.257 18027 5935 1 9 . 1 1 98 98 GLY N N 98 112.073 112.073 103.353 8.720 18027 5936 1 9 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.155 -2.979 18027 5937 1 9 . 1 1 98 98 GLY H H 98 10.298 10.298 8.556 1.742 18027 5938 1 9 . 1 1 99 99 TYR N N 99 116.011 116.011 116.003 0.008 18027 5939 1 9 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.085 -0.267 18027 5940 1 9 . 1 1 99 99 TYR CA C 99 53.681 53.681 55.330 -1.649 18027 5941 1 9 . 1 1 99 99 TYR CB C 99 39.875 39.875 41.078 -1.203 18027 5942 1 9 . 1 1 99 99 TYR H H 99 7.497 7.497 7.192 0.305 18027 5943 1 9 . 1 1 100 100 ILE N N 100 126.793 126.793 119.717 7.076 18027 5944 1 9 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.323 0.100 18027 5945 1 9 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.584 -1.955 18027 5946 1 9 . 1 1 100 100 ILE CB C 100 35.748 35.748 39.438 -3.689 18027 5947 1 9 . 1 1 100 100 ILE H H 100 9.833 9.833 8.678 1.155 18027 5948 1 9 . 1 1 101 101 SER N N 101 123.825 123.825 123.826 -0.001 18027 5949 1 9 . 1 1 101 101 SER HA H 101 4.657 4.657 4.657 -0.000 18027 5950 1 9 . 1 1 101 101 SER CA C 101 53.060 53.060 58.018 -4.958 18027 5951 1 9 . 1 1 101 101 SER CB C 101 64.091 64.091 64.418 -0.327 18027 5952 1 9 . 1 1 101 101 SER H H 101 8.870 8.870 8.942 -0.072 18027 5953 1 9 . 1 1 102 102 ALA N N 102 122.909 122.909 126.454 -3.545 18027 5954 1 9 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.063 -0.299 18027 5955 1 9 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.178 -2.128 18027 5956 1 9 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.455 -3.480 18027 5957 1 9 . 1 1 102 102 ALA H H 102 9.209 9.209 9.102 0.107 18027 5958 1 9 . 1 1 103 103 ALA N N 103 118.692 118.692 119.851 -1.159 18027 5959 1 9 . 1 1 103 103 ALA HA H 103 3.874 3.874 3.966 -0.092 18027 5960 1 9 . 1 1 103 103 ALA CA C 103 52.485 52.485 55.061 -2.576 18027 5961 1 9 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.079 -2.876 18027 5962 1 9 . 1 1 103 103 ALA H H 103 8.146 8.146 8.456 -0.309 18027 5963 1 9 . 1 1 104 104 GLU N N 104 120.098 120.098 118.671 1.427 18027 5964 1 9 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.146 -0.283 18027 5965 1 9 . 1 1 104 104 GLU CA C 104 56.575 56.575 59.242 -2.667 18027 5966 1 9 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.659 -4.290 18027 5967 1 9 . 1 1 104 104 GLU H H 104 7.832 7.832 8.179 -0.347 18027 5968 1 9 . 1 1 105 105 LEU N N 105 121.466 121.466 118.104 3.362 18027 5969 1 9 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.277 -0.161 18027 5970 1 9 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.961 -2.265 18027 5971 1 9 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.710 -2.748 18027 5972 1 9 . 1 1 105 105 LEU H H 105 8.300 8.300 7.539 0.761 18027 5973 1 9 . 1 1 106 106 ARG N N 106 118.978 118.978 119.251 -0.273 18027 5974 1 9 . 1 1 106 106 ARG HA H 106 3.852 3.852 4.010 -0.158 18027 5975 1 9 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.250 -1.816 18027 5976 1 9 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.852 -2.768 18027 5977 1 9 . 1 1 106 106 ARG H H 106 8.882 8.882 8.469 0.413 18027 5978 1 9 . 1 1 107 107 HIS N N 107 118.543 118.543 119.371 -0.828 18027 5979 1 9 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.296 -0.096 18027 5980 1 9 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.811 -2.986 18027 5981 1 9 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.523 -2.784 18027 5982 1 9 . 1 1 107 107 HIS H H 107 7.991 7.991 7.877 0.114 18027 5983 1 9 . 1 1 108 108 VAL N N 108 118.687 118.687 118.457 0.230 18027 5984 1 9 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.678 -0.586 18027 5985 1 9 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.681 -2.471 18027 5986 1 9 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.625 -2.715 18027 5987 1 9 . 1 1 108 108 VAL H H 108 7.425 7.425 7.518 -0.093 18027 5988 1 9 . 1 1 109 109 MET N N 109 115.725 115.725 116.527 -0.802 18027 5989 1 9 . 1 1 109 109 MET HA H 109 3.944 3.944 4.216 -0.272 18027 5990 1 9 . 1 1 109 109 MET CA C 109 55.212 55.212 58.687 -3.475 18027 5991 1 9 . 1 1 109 109 MET CB C 109 27.425 27.425 32.916 -5.491 18027 5992 1 9 . 1 1 109 109 MET H H 109 7.972 7.972 7.472 0.500 18027 5993 1 9 . 1 1 110 110 THR N N 110 116.999 116.999 114.557 2.442 18027 5994 1 9 . 1 1 110 110 THR HA H 110 3.852 3.852 4.442 -0.590 18027 5995 1 9 . 1 1 110 110 THR CA C 110 63.918 63.918 64.512 -0.594 18027 5996 1 9 . 1 1 110 110 THR CB C 110 65.844 65.844 68.495 -2.651 18027 5997 1 9 . 1 1 110 110 THR H H 110 8.691 8.691 8.197 0.494 18027 5998 1 9 . 1 1 111 111 ASN N N 111 123.893 123.893 120.602 3.291 18027 5999 1 9 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.537 -0.296 18027 6000 1 9 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.190 -2.241 18027 6001 1 9 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.695 -3.731 18027 6002 1 9 . 1 1 111 111 ASN H H 111 7.911 7.911 8.205 -0.294 18027 6003 1 9 . 1 1 112 112 LEU N N 112 119.244 119.244 117.857 1.387 18027 6004 1 9 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.140 -0.068 18027 6005 1 9 . 1 1 112 112 LEU CA C 112 52.901 52.901 54.932 -2.031 18027 6006 1 9 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.334 -2.800 18027 6007 1 9 . 1 1 112 112 LEU H H 112 7.618 7.618 7.146 0.472 18027 6008 1 9 . 1 1 113 113 GLY N N 113 107.263 107.263 105.694 1.569 18027 6009 1 9 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.582 -2.145 18027 6010 1 9 . 1 1 113 113 GLY H H 113 7.743 7.743 7.331 0.412 18027 6011 1 9 . 1 1 114 114 GLU N N 114 120.073 120.073 118.727 1.346 18027 6012 1 9 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.545 -0.255 18027 6013 1 9 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.888 -3.362 18027 6014 1 9 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.479 -4.940 18027 6015 1 9 . 1 1 114 114 GLU H H 114 7.857 7.857 7.854 0.003 18027 6016 1 9 . 1 1 115 115 LYS N N 115 124.142 124.142 124.198 -0.056 18027 6017 1 9 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.799 -0.579 18027 6018 1 9 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.718 -2.824 18027 6019 1 9 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.522 -4.041 18027 6020 1 9 . 1 1 115 115 LYS H H 115 8.377 8.377 8.585 -0.208 18027 6021 1 9 . 1 1 116 116 LEU N N 116 125.240 125.240 125.186 0.054 18027 6022 1 9 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.689 -0.217 18027 6023 1 9 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.258 -1.819 18027 6024 1 9 . 1 1 116 116 LEU CB C 116 40.675 40.675 45.004 -4.329 18027 6025 1 9 . 1 1 116 116 LEU H H 116 8.002 8.002 8.516 -0.514 18027 6026 1 9 . 1 1 117 117 THR N N 117 113.520 113.520 113.172 0.348 18027 6027 1 9 . 1 1 117 117 THR CA C 117 57.922 57.922 60.864 -2.942 18027 6028 1 9 . 1 1 117 117 THR CB C 117 68.352 68.352 70.178 -1.826 18027 6029 1 9 . 1 1 117 117 THR H H 117 8.927 8.927 8.590 0.337 18027 6030 1 9 . 1 1 118 118 ASP N N 118 120.859 120.859 121.979 -1.120 18027 6031 1 9 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.455 -0.412 18027 6032 1 9 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.311 -2.146 18027 6033 1 9 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.826 -4.052 18027 6034 1 9 . 1 1 118 118 ASP H H 118 8.754 8.754 8.804 -0.050 18027 6035 1 9 . 1 1 119 119 GLU N N 119 119.112 119.112 118.334 0.778 18027 6036 1 9 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.114 -0.187 18027 6037 1 9 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.139 -1.948 18027 6038 1 9 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.241 -2.958 18027 6039 1 9 . 1 1 119 119 GLU H H 119 8.507 8.507 8.835 -0.328 18027 6040 1 9 . 1 1 120 120 GLU N N 120 120.059 120.059 118.001 2.058 18027 6041 1 9 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.155 -0.297 18027 6042 1 9 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.414 -1.955 18027 6043 1 9 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.634 -2.117 18027 6044 1 9 . 1 1 120 120 GLU H H 120 7.809 7.809 8.051 -0.242 18027 6045 1 9 . 1 1 121 121 VAL N N 121 120.512 120.512 119.967 0.545 18027 6046 1 9 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.691 -0.219 18027 6047 1 9 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.584 -2.502 18027 6048 1 9 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.640 -3.073 18027 6049 1 9 . 1 1 121 121 VAL H H 121 7.898 7.898 7.332 0.566 18027 6050 1 9 . 1 1 122 122 ASP N N 122 119.857 119.857 119.415 0.442 18027 6051 1 9 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.315 -0.147 18027 6052 1 9 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.752 -2.846 18027 6053 1 9 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.877 -3.400 18027 6054 1 9 . 1 1 122 122 ASP H H 122 7.897 7.897 7.865 0.032 18027 6055 1 9 . 1 1 123 123 GLU N N 123 119.630 119.630 118.303 1.327 18027 6056 1 9 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.115 -0.277 18027 6057 1 9 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.645 -1.568 18027 6058 1 9 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.609 -3.440 18027 6059 1 9 . 1 1 123 123 GLU H H 123 7.963 7.963 7.550 0.413 18027 6060 1 9 . 1 1 124 124 MET N N 124 119.144 119.144 116.757 2.387 18027 6061 1 9 . 1 1 124 124 MET HA H 124 3.859 3.859 4.446 -0.587 18027 6062 1 9 . 1 1 124 124 MET CA C 124 56.508 56.508 58.325 -1.817 18027 6063 1 9 . 1 1 124 124 MET CB C 124 29.253 29.253 33.347 -4.094 18027 6064 1 9 . 1 1 124 124 MET H H 124 7.631 7.631 7.750 -0.118 18027 6065 1 9 . 1 1 125 125 ILE N N 125 117.557 117.557 119.411 -1.854 18027 6066 1 9 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.742 -0.458 18027 6067 1 9 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.674 -3.535 18027 6068 1 9 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.824 -3.774 18027 6069 1 9 . 1 1 125 125 ILE H H 125 7.669 7.669 7.634 0.035 18027 6070 1 9 . 1 1 126 126 ARG N N 126 118.414 118.414 120.024 -1.610 18027 6071 1 9 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.529 -0.671 18027 6072 1 9 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.739 -1.937 18027 6073 1 9 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.727 -2.302 18027 6074 1 9 . 1 1 126 126 ARG H H 126 7.952 7.952 7.688 0.264 18027 6075 1 9 . 1 1 127 127 GLU N N 127 116.143 116.143 117.069 -0.926 18027 6076 1 9 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.333 -0.475 18027 6077 1 9 . 1 1 127 127 GLU CA C 127 56.215 56.215 57.772 -1.557 18027 6078 1 9 . 1 1 127 127 GLU CB C 127 27.197 27.197 29.901 -2.704 18027 6079 1 9 . 1 1 127 127 GLU H H 127 7.294 7.294 8.106 -0.812 18027 6080 1 9 . 1 1 128 128 ALA N N 128 116.994 116.994 119.619 -2.625 18027 6081 1 9 . 1 1 128 128 ALA HA H 128 4.453 4.453 5.051 -0.598 18027 6082 1 9 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.454 -3.282 18027 6083 1 9 . 1 1 128 128 ALA CB C 128 19.772 19.772 21.605 -1.833 18027 6084 1 9 . 1 1 128 128 ALA H H 128 7.110 7.110 7.669 -0.559 18027 6085 1 9 . 1 1 129 129 ASP N N 129 117.846 117.846 121.243 -3.397 18027 6086 1 9 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.415 0.027 18027 6087 1 9 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.206 -2.573 18027 6088 1 9 . 1 1 129 129 ASP CB C 129 38.505 38.505 39.057 -0.552 18027 6089 1 9 . 1 1 129 129 ASP H H 129 7.508 7.508 8.664 -1.156 18027 6090 1 9 . 1 1 130 130 ILE N N 130 128.118 128.118 120.609 7.509 18027 6091 1 9 . 1 1 130 130 ILE HA H 130 3.750 3.750 3.958 -0.208 18027 6092 1 9 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.420 -2.837 18027 6093 1 9 . 1 1 130 130 ILE CB C 130 35.763 35.763 37.942 -2.179 18027 6094 1 9 . 1 1 130 130 ILE H H 130 8.168 8.168 7.708 0.460 18027 6095 1 9 . 1 1 131 131 ASP N N 131 116.572 116.572 118.690 -2.118 18027 6096 1 9 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.587 -0.291 18027 6097 1 9 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.349 -2.227 18027 6098 1 9 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.239 -2.762 18027 6099 1 9 . 1 1 131 131 ASP H H 131 8.136 8.136 7.979 0.157 18027 6100 1 9 . 1 1 132 132 GLY N N 132 108.411 108.411 108.261 0.150 18027 6101 1 9 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.035 -1.528 18027 6102 1 9 . 1 1 132 132 GLY H H 132 7.460 7.460 8.213 -0.753 18027 6103 1 9 . 1 1 133 133 ASP N N 133 120.424 120.424 119.410 1.014 18027 6104 1 9 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.604 -0.308 18027 6105 1 9 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.900 -3.047 18027 6106 1 9 . 1 1 133 133 ASP H H 133 8.177 8.177 8.019 0.158 18027 6107 1 9 . 1 1 134 134 GLY N N 134 112.396 112.396 106.940 5.456 18027 6108 1 9 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.166 -2.113 18027 6109 1 9 . 1 1 134 134 GLY H H 134 10.043 10.043 8.571 1.472 18027 6110 1 9 . 1 1 135 135 GLN N N 135 115.588 115.588 117.363 -1.775 18027 6111 1 9 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.419 -0.615 18027 6112 1 9 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.799 -3.384 18027 6113 1 9 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.789 -3.508 18027 6114 1 9 . 1 1 135 135 GLN H H 135 7.866 7.866 7.724 0.142 18027 6115 1 9 . 1 1 136 136 VAL N N 136 124.910 124.910 119.857 5.053 18027 6116 1 9 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.335 0.664 18027 6117 1 9 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.905 -2.198 18027 6118 1 9 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.437 -2.357 18027 6119 1 9 . 1 1 136 136 VAL H H 136 8.856 8.856 8.677 0.179 18027 6120 1 9 . 1 1 137 137 ASN N N 137 129.009 129.009 122.412 6.597 18027 6121 1 9 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.189 -0.016 18027 6122 1 9 . 1 1 137 137 ASN CA C 137 48.083 48.083 52.237 -4.154 18027 6123 1 9 . 1 1 137 137 ASN CB C 137 35.634 35.634 41.583 -5.949 18027 6124 1 9 . 1 1 137 137 ASN H H 137 9.390 9.390 8.689 0.701 18027 6125 1 9 . 1 1 138 138 TYR N N 138 118.471 118.471 120.580 -2.109 18027 6126 1 9 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.244 0.234 18027 6127 1 9 . 1 1 138 138 TYR CA C 138 59.799 59.799 61.304 -1.505 18027 6128 1 9 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.277 -1.742 18027 6129 1 9 . 1 1 138 138 TYR H H 138 8.075 8.075 8.787 -0.712 18027 6130 1 9 . 1 1 139 139 GLU N N 139 118.535 118.535 119.287 -0.752 18027 6131 1 9 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.034 -0.196 18027 6132 1 9 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.466 -1.934 18027 6133 1 9 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.536 -2.596 18027 6134 1 9 . 1 1 139 139 GLU H H 139 7.925 7.925 7.955 -0.030 18027 6135 1 9 . 1 1 140 140 GLU N N 140 119.583 119.583 119.108 0.475 18027 6136 1 9 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.327 -0.478 18027 6137 1 9 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.458 -2.376 18027 6138 1 9 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.318 -2.807 18027 6139 1 9 . 1 1 140 140 GLU H H 140 8.664 8.664 8.503 0.161 18027 6140 1 9 . 1 1 141 141 PHE N N 141 123.810 123.810 120.739 3.071 18027 6141 1 9 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.207 -0.486 18027 6142 1 9 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.606 -2.514 18027 6143 1 9 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.207 -1.502 18027 6144 1 9 . 1 1 141 141 PHE H H 141 8.395 8.395 8.056 0.339 18027 6145 1 9 . 1 1 142 142 VAL N N 142 118.551 118.551 117.623 0.928 18027 6146 1 9 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.733 -0.641 18027 6147 1 9 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.716 -2.534 18027 6148 1 9 . 1 1 142 142 VAL CB C 142 28.796 28.796 32.234 -3.438 18027 6149 1 9 . 1 1 142 142 VAL H H 142 8.484 8.484 8.300 0.184 18027 6150 1 9 . 1 1 143 143 GLN N N 143 119.672 119.672 118.576 1.096 18027 6151 1 9 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.022 -0.184 18027 6152 1 9 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.023 -1.750 18027 6153 1 9 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.212 -3.300 18027 6154 1 9 . 1 1 143 143 GLN H H 143 7.803 7.803 7.629 0.174 18027 6155 1 9 . 1 1 144 144 MET N N 144 116.710 116.710 118.494 -1.784 18027 6156 1 9 . 1 1 144 144 MET HA H 144 3.943 3.943 4.121 -0.178 18027 6157 1 9 . 1 1 144 144 MET CA C 144 55.387 55.387 58.086 -2.699 18027 6158 1 9 . 1 1 144 144 MET CB C 144 29.709 29.709 32.395 -2.686 18027 6159 1 9 . 1 1 144 144 MET H H 144 7.322 7.322 7.541 -0.219 18027 6160 1 9 . 1 1 145 145 MET N N 145 114.879 114.879 116.702 -1.823 18027 6161 1 9 . 1 1 145 145 MET HA H 145 4.062 4.062 4.390 -0.328 18027 6162 1 9 . 1 1 145 145 MET CA C 145 53.291 53.291 57.759 -4.468 18027 6163 1 9 . 1 1 145 145 MET CB C 145 29.253 29.253 32.729 -3.476 18027 6164 1 9 . 1 1 145 145 MET H H 145 7.467 7.467 7.600 -0.133 18027 6165 1 9 . 1 1 146 146 THR N N 146 108.698 108.698 113.524 -4.826 18027 6166 1 9 . 1 1 146 146 THR HA H 146 4.136 4.136 4.320 -0.184 18027 6167 1 9 . 1 1 146 146 THR CA C 146 59.201 59.201 61.189 -1.988 18027 6168 1 9 . 1 1 146 146 THR CB C 146 67.404 67.404 68.940 -1.536 18027 6169 1 9 . 1 1 146 146 THR H H 146 7.551 7.551 7.655 -0.104 18027 6170 1 9 . 1 1 147 147 ALA N N 147 126.669 126.669 124.325 2.344 18027 6171 1 9 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.380 -0.235 18027 6172 1 9 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.828 -1.755 18027 6173 1 9 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.382 -3.037 18027 6174 1 9 . 1 1 147 147 ALA H H 147 7.596 7.596 7.503 0.093 18027 6175 1 10 . 1 1 2 2 ASP N N 2 120.442 120.442 121.157 -0.715 18027 6176 1 10 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.862 -0.409 18027 6177 1 10 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.184 -2.255 18027 6178 1 10 . 1 1 2 2 ASP CB C 2 38.505 38.505 42.639 -4.133 18027 6179 1 10 . 1 1 2 2 ASP H H 2 8.521 8.521 8.518 0.003 18027 6180 1 10 . 1 1 3 3 GLN N N 3 119.769 119.769 120.186 -0.417 18027 6181 1 10 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.574 -0.355 18027 6182 1 10 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.461 -2.775 18027 6183 1 10 . 1 1 3 3 GLN H H 3 8.199 8.199 8.424 -0.225 18027 6184 1 10 . 1 1 4 4 LEU N N 4 120.939 120.939 123.801 -2.862 18027 6185 1 10 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.629 -0.146 18027 6186 1 10 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.590 -3.006 18027 6187 1 10 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.106 -2.546 18027 6188 1 10 . 1 1 4 4 LEU H H 4 7.510 7.510 8.439 -0.929 18027 6189 1 10 . 1 1 5 5 THR N N 5 112.777 112.777 114.094 -1.317 18027 6190 1 10 . 1 1 5 5 THR HA H 5 4.253 4.253 4.460 -0.207 18027 6191 1 10 . 1 1 5 5 THR CA C 5 57.873 57.873 61.890 -4.017 18027 6192 1 10 . 1 1 5 5 THR CB C 5 68.203 68.203 69.136 -0.933 18027 6193 1 10 . 1 1 5 5 THR H H 5 8.576 8.576 8.302 0.274 18027 6194 1 10 . 1 1 6 6 GLU N N 6 120.254 120.254 120.318 -0.064 18027 6195 1 10 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.092 -0.298 18027 6196 1 10 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.418 -1.773 18027 6197 1 10 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.087 -2.801 18027 6198 1 10 . 1 1 6 6 GLU H H 6 8.874 8.874 8.833 0.041 18027 6199 1 10 . 1 1 7 7 GLU N N 7 119.637 119.637 119.295 0.342 18027 6200 1 10 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.182 -0.286 18027 6201 1 10 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.931 -1.755 18027 6202 1 10 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.330 -3.276 18027 6203 1 10 . 1 1 7 7 GLU H H 7 8.536 8.536 8.314 0.222 18027 6204 1 10 . 1 1 8 8 GLN N N 8 120.086 120.086 118.552 1.534 18027 6205 1 10 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.430 -0.592 18027 6206 1 10 . 1 1 8 8 GLN CA C 8 56.411 56.411 57.761 -1.350 18027 6207 1 10 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.103 -2.478 18027 6208 1 10 . 1 1 8 8 GLN H H 8 7.499 7.499 7.802 -0.303 18027 6209 1 10 . 1 1 9 9 ILE N N 9 120.295 120.295 119.666 0.629 18027 6210 1 10 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.902 -0.235 18027 6211 1 10 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.578 -0.532 18027 6212 1 10 . 1 1 9 9 ILE H H 9 8.405 8.405 8.718 -0.313 18027 6213 1 10 . 1 1 10 10 ALA N N 10 121.503 121.503 121.401 0.102 18027 6214 1 10 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.130 -0.219 18027 6215 1 10 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.161 -2.504 18027 6216 1 10 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.149 -3.174 18027 6217 1 10 . 1 1 10 10 ALA H H 10 7.949 7.949 7.544 0.405 18027 6218 1 10 . 1 1 11 11 GLU N N 11 118.352 118.352 118.428 -0.076 18027 6219 1 10 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.121 -0.283 18027 6220 1 10 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.745 -2.072 18027 6221 1 10 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.501 -2.533 18027 6222 1 10 . 1 1 11 11 GLU H H 11 7.700 7.700 7.913 -0.213 18027 6223 1 10 . 1 1 12 12 PHE N N 12 117.277 117.277 120.237 -2.960 18027 6224 1 10 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.253 0.224 18027 6225 1 10 . 1 1 12 12 PHE CA C 12 59.655 59.655 61.778 -2.123 18027 6226 1 10 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.246 -3.711 18027 6227 1 10 . 1 1 12 12 PHE H H 12 8.211 8.211 7.450 0.761 18027 6228 1 10 . 1 1 13 13 LYS N N 13 122.928 122.928 119.048 3.880 18027 6229 1 10 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.956 -0.031 18027 6230 1 10 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.427 -2.273 18027 6231 1 10 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.193 -6.024 18027 6232 1 10 . 1 1 13 13 LYS H H 13 8.925 8.925 7.736 1.189 18027 6233 1 10 . 1 1 14 14 GLU N N 14 119.706 119.706 117.787 1.919 18027 6234 1 10 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.189 -0.331 18027 6235 1 10 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.675 -2.339 18027 6236 1 10 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.840 -3.558 18027 6237 1 10 . 1 1 14 14 GLU H H 14 7.824 7.824 7.791 0.033 18027 6238 1 10 . 1 1 15 15 ALA N N 15 123.880 123.880 122.655 1.225 18027 6239 1 10 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.244 -0.377 18027 6240 1 10 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.285 -1.450 18027 6241 1 10 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.340 -3.137 18027 6242 1 10 . 1 1 15 15 ALA H H 15 8.124 8.124 7.976 0.148 18027 6243 1 10 . 1 1 16 16 PHE N N 16 118.972 118.972 117.934 1.038 18027 6244 1 10 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.227 -1.095 18027 6245 1 10 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.685 -0.702 18027 6246 1 10 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.437 -2.988 18027 6247 1 10 . 1 1 16 16 PHE H H 16 8.446 8.446 8.152 0.294 18027 6248 1 10 . 1 1 17 17 SER N N 17 114.737 114.737 114.303 0.434 18027 6249 1 10 . 1 1 17 17 SER HA H 17 3.902 3.902 4.476 -0.574 18027 6250 1 10 . 1 1 17 17 SER CA C 17 58.999 58.999 60.327 -1.328 18027 6251 1 10 . 1 1 17 17 SER CB C 17 60.436 60.436 62.908 -2.472 18027 6252 1 10 . 1 1 17 17 SER H H 17 7.874 7.874 7.606 0.268 18027 6253 1 10 . 1 1 18 18 LEU N N 18 120.225 120.225 119.601 0.624 18027 6254 1 10 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.084 -0.299 18027 6255 1 10 . 1 1 18 18 LEU CA C 18 54.729 54.729 56.910 -2.181 18027 6256 1 10 . 1 1 18 18 LEU CB C 18 38.162 38.162 41.280 -3.118 18027 6257 1 10 . 1 1 18 18 LEU H H 18 7.183 7.183 7.469 -0.286 18027 6258 1 10 . 1 1 19 19 PHE N N 19 112.357 112.357 113.092 -0.735 18027 6259 1 10 . 1 1 19 19 PHE CA C 19 56.424 56.424 59.229 -2.805 18027 6260 1 10 . 1 1 19 19 PHE H H 19 6.977 6.977 7.716 -0.739 18027 6261 1 10 . 1 1 20 20 ASP N N 20 117.274 117.274 119.238 -1.964 18027 6262 1 10 . 1 1 20 20 ASP HA H 20 4.432 4.432 5.107 -0.675 18027 6263 1 10 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.740 -3.228 18027 6264 1 10 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.794 -4.117 18027 6265 1 10 . 1 1 20 20 ASP H H 20 7.446 7.446 7.701 -0.255 18027 6266 1 10 . 1 1 21 21 LYS N N 21 124.296 124.296 122.257 2.039 18027 6267 1 10 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.236 -0.398 18027 6268 1 10 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.192 -1.513 18027 6269 1 10 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.148 -2.553 18027 6270 1 10 . 1 1 21 21 LYS H H 21 7.520 7.520 8.822 -1.302 18027 6271 1 10 . 1 1 22 22 ASP N N 22 113.761 113.761 117.945 -4.184 18027 6272 1 10 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.709 -0.275 18027 6273 1 10 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.725 -4.665 18027 6274 1 10 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.384 -4.821 18027 6275 1 10 . 1 1 22 22 ASP H H 22 7.819 7.819 8.126 -0.307 18027 6276 1 10 . 1 1 23 23 GLY N N 23 108.838 108.838 106.868 1.970 18027 6277 1 10 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.976 -1.671 18027 6278 1 10 . 1 1 23 23 GLY H H 23 7.497 7.497 7.999 -0.502 18027 6279 1 10 . 1 1 24 24 ASP N N 24 120.790 120.790 120.090 0.700 18027 6280 1 10 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.739 -0.389 18027 6281 1 10 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.467 -3.614 18027 6282 1 10 . 1 1 24 24 ASP CB C 24 37.363 37.363 42.109 -4.746 18027 6283 1 10 . 1 1 24 24 ASP H H 24 8.312 8.312 8.641 -0.329 18027 6284 1 10 . 1 1 25 25 GLY N N 25 112.499 112.499 110.293 2.206 18027 6285 1 10 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.325 -2.905 18027 6286 1 10 . 1 1 25 25 GLY H H 25 10.352 10.352 8.955 1.397 18027 6287 1 10 . 1 1 26 26 THR N N 26 111.781 111.781 111.105 0.676 18027 6288 1 10 . 1 1 26 26 THR HA H 26 5.316 5.316 5.956 -0.640 18027 6289 1 10 . 1 1 26 26 THR CA C 26 56.878 56.878 60.582 -3.704 18027 6290 1 10 . 1 1 26 26 THR CB C 26 70.031 70.031 72.804 -2.773 18027 6291 1 10 . 1 1 26 26 THR H H 26 8.018 8.018 8.073 -0.055 18027 6292 1 10 . 1 1 27 27 ILE N N 27 126.162 126.162 123.678 2.484 18027 6293 1 10 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.559 0.099 18027 6294 1 10 . 1 1 27 27 ILE CA C 27 58.477 58.477 59.966 -1.489 18027 6295 1 10 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.057 -1.485 18027 6296 1 10 . 1 1 27 27 ILE H H 27 9.769 9.769 8.592 1.177 18027 6297 1 10 . 1 1 28 28 THR N N 28 116.311 116.311 118.777 -2.466 18027 6298 1 10 . 1 1 28 28 THR HA H 28 4.669 4.669 5.062 -0.393 18027 6299 1 10 . 1 1 28 28 THR CA C 28 56.878 56.878 61.618 -4.740 18027 6300 1 10 . 1 1 28 28 THR CB C 28 69.688 69.688 70.314 -0.626 18027 6301 1 10 . 1 1 28 28 THR H H 28 8.302 8.302 8.141 0.161 18027 6302 1 10 . 1 1 29 29 THR N N 29 112.465 112.465 114.106 -1.641 18027 6303 1 10 . 1 1 29 29 THR HA H 29 3.633 3.633 4.034 -0.401 18027 6304 1 10 . 1 1 29 29 THR CA C 29 63.820 63.820 66.063 -2.243 18027 6305 1 10 . 1 1 29 29 THR CB C 29 65.160 65.160 68.521 -3.361 18027 6306 1 10 . 1 1 29 29 THR H H 29 9.078 9.078 8.602 0.476 18027 6307 1 10 . 1 1 30 30 LYS N N 30 120.792 120.792 120.666 0.126 18027 6308 1 10 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.169 -0.214 18027 6309 1 10 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.664 -2.095 18027 6310 1 10 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.054 -1.459 18027 6311 1 10 . 1 1 30 30 LYS H H 30 7.467 7.467 8.470 -1.003 18027 6312 1 10 . 1 1 31 31 GLU N N 31 121.359 121.359 120.562 0.797 18027 6313 1 10 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.161 -0.255 18027 6314 1 10 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.789 -2.112 18027 6315 1 10 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.775 -2.693 18027 6316 1 10 . 1 1 31 31 GLU H H 31 7.574 7.574 7.576 -0.002 18027 6317 1 10 . 1 1 32 32 LEU N N 32 120.087 120.087 121.046 -0.959 18027 6318 1 10 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.283 -0.226 18027 6319 1 10 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.713 -2.141 18027 6320 1 10 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.154 -2.302 18027 6321 1 10 . 1 1 32 32 LEU H H 32 8.712 8.712 8.148 0.564 18027 6322 1 10 . 1 1 33 33 GLY N N 33 105.634 105.634 104.959 0.675 18027 6323 1 10 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.325 -1.688 18027 6324 1 10 . 1 1 33 33 GLY H H 33 8.696 8.696 7.849 0.847 18027 6325 1 10 . 1 1 34 34 THR N N 34 117.265 117.265 118.596 -1.331 18027 6326 1 10 . 1 1 34 34 THR HA H 34 3.810 3.810 3.958 -0.148 18027 6327 1 10 . 1 1 34 34 THR CA C 34 64.259 64.259 67.190 -2.931 18027 6328 1 10 . 1 1 34 34 THR CB C 34 66.033 66.033 68.542 -2.509 18027 6329 1 10 . 1 1 34 34 THR H H 34 7.785 7.785 7.631 0.154 18027 6330 1 10 . 1 1 35 35 VAL N N 35 121.498 121.498 120.179 1.319 18027 6331 1 10 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.780 -0.379 18027 6332 1 10 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.452 -1.144 18027 6333 1 10 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.558 -2.761 18027 6334 1 10 . 1 1 35 35 VAL H H 35 7.268 7.268 7.346 -0.078 18027 6335 1 10 . 1 1 36 36 MET N N 36 117.302 117.302 118.638 -1.336 18027 6336 1 10 . 1 1 36 36 MET HA H 36 3.842 3.842 4.213 -0.371 18027 6337 1 10 . 1 1 36 36 MET CA C 36 56.606 56.606 58.400 -1.794 18027 6338 1 10 . 1 1 36 36 MET CB C 36 28.453 28.453 32.495 -4.042 18027 6339 1 10 . 1 1 36 36 MET H H 36 8.487 8.487 7.698 0.789 18027 6340 1 10 . 1 1 37 37 ARG N N 37 118.262 118.262 118.299 -0.037 18027 6341 1 10 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.390 0.267 18027 6342 1 10 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.681 -2.201 18027 6343 1 10 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.372 -3.632 18027 6344 1 10 . 1 1 37 37 ARG H H 37 8.330 8.330 8.055 0.275 18027 6345 1 10 . 1 1 38 38 SER N N 38 117.873 117.873 113.951 3.922 18027 6346 1 10 . 1 1 38 38 SER H H 38 7.815 7.815 7.735 0.080 18027 6347 1 10 . 1 1 39 39 LEU N N 39 117.970 117.970 118.463 -0.493 18027 6348 1 10 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.309 -0.237 18027 6349 1 10 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.263 -3.825 18027 6350 1 10 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.237 -4.075 18027 6351 1 10 . 1 1 39 39 LEU H H 39 7.326 7.326 7.312 0.014 18027 6352 1 10 . 1 1 40 40 GLY N N 40 106.755 106.755 105.258 1.497 18027 6353 1 10 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.644 -1.980 18027 6354 1 10 . 1 1 40 40 GLY H H 40 7.636 7.636 7.577 0.059 18027 6355 1 10 . 1 1 41 41 GLN N N 41 118.316 118.316 119.850 -1.534 18027 6356 1 10 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.538 -0.253 18027 6357 1 10 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.507 -3.654 18027 6358 1 10 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.725 -4.414 18027 6359 1 10 . 1 1 41 41 GLN H H 41 7.827 7.827 7.771 0.056 18027 6360 1 10 . 1 1 42 42 ASN N N 42 115.866 115.866 123.257 -7.391 18027 6361 1 10 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.064 -0.051 18027 6362 1 10 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.520 -2.958 18027 6363 1 10 . 1 1 42 42 ASN CB C 42 36.318 36.318 38.894 -2.576 18027 6364 1 10 . 1 1 42 42 ASN H H 42 8.557 8.557 8.643 -0.086 18027 6365 1 10 . 1 1 44 44 THR N N 44 113.035 113.035 110.464 2.571 18027 6366 1 10 . 1 1 44 44 THR HA H 44 4.296 4.296 4.516 -0.220 18027 6367 1 10 . 1 1 44 44 THR CA C 44 57.922 57.922 59.471 -1.549 18027 6368 1 10 . 1 1 44 44 THR CB C 44 68.317 68.317 70.910 -2.593 18027 6369 1 10 . 1 1 44 44 THR H H 44 8.694 8.694 7.966 0.728 18027 6370 1 10 . 1 1 45 45 GLU N N 45 120.283 120.283 120.249 0.034 18027 6371 1 10 . 1 1 45 45 GLU HA H 45 3.896 3.896 3.997 -0.101 18027 6372 1 10 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.792 -2.436 18027 6373 1 10 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.142 -3.426 18027 6374 1 10 . 1 1 45 45 GLU H H 45 8.687 8.687 8.840 -0.153 18027 6375 1 10 . 1 1 46 46 ALA N N 46 120.685 120.685 120.775 -0.090 18027 6376 1 10 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.229 -0.359 18027 6377 1 10 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.478 -2.162 18027 6378 1 10 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.028 -2.939 18027 6379 1 10 . 1 1 46 46 ALA H H 46 8.153 8.153 8.235 -0.082 18027 6380 1 10 . 1 1 47 47 GLU N N 47 118.546 118.546 117.920 0.626 18027 6381 1 10 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.154 -0.295 18027 6382 1 10 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.291 -1.783 18027 6383 1 10 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.589 -2.849 18027 6384 1 10 . 1 1 47 47 GLU H H 47 7.554 7.554 7.563 -0.009 18027 6385 1 10 . 1 1 48 48 LEU N N 48 120.085 120.085 120.787 -0.702 18027 6386 1 10 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.108 -0.168 18027 6387 1 10 . 1 1 48 48 LEU CA C 48 55.368 55.368 58.296 -2.928 18027 6388 1 10 . 1 1 48 48 LEU CB C 48 39.419 39.419 42.173 -2.754 18027 6389 1 10 . 1 1 48 48 LEU H H 48 8.247 8.247 7.593 0.654 18027 6390 1 10 . 1 1 49 49 GLN N N 49 118.119 118.119 116.810 1.309 18027 6391 1 10 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.017 -0.104 18027 6392 1 10 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.514 -1.811 18027 6393 1 10 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.411 -2.014 18027 6394 1 10 . 1 1 49 49 GLN H H 49 7.891 7.891 7.821 0.070 18027 6395 1 10 . 1 1 50 50 ASP N N 50 119.263 119.263 121.196 -1.933 18027 6396 1 10 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.454 -0.275 18027 6397 1 10 . 1 1 50 50 ASP CA C 50 54.876 54.876 57.001 -2.125 18027 6398 1 10 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.896 -3.648 18027 6399 1 10 . 1 1 50 50 ASP H H 50 7.803 7.803 7.670 0.133 18027 6400 1 10 . 1 1 51 51 MET N N 51 120.178 120.178 116.816 3.362 18027 6401 1 10 . 1 1 51 51 MET HA H 51 3.966 3.966 4.510 -0.544 18027 6402 1 10 . 1 1 51 51 MET CA C 51 57.074 57.074 57.270 -0.195 18027 6403 1 10 . 1 1 51 51 MET CB C 51 29.975 29.975 32.812 -2.837 18027 6404 1 10 . 1 1 51 51 MET H H 51 7.831 7.831 7.462 0.369 18027 6405 1 10 . 1 1 52 52 ILE N N 52 116.856 116.856 120.630 -3.774 18027 6406 1 10 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.684 -0.336 18027 6407 1 10 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.504 -2.829 18027 6408 1 10 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.627 -3.805 18027 6409 1 10 . 1 1 52 52 ILE H H 52 7.703 7.703 7.558 0.145 18027 6410 1 10 . 1 1 53 53 ASN N N 53 117.417 117.417 115.019 2.398 18027 6411 1 10 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.497 -0.244 18027 6412 1 10 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.622 -2.581 18027 6413 1 10 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.331 -3.253 18027 6414 1 10 . 1 1 53 53 ASN H H 53 8.187 8.187 7.872 0.315 18027 6415 1 10 . 1 1 54 54 GLU N N 54 116.996 116.996 118.564 -1.568 18027 6416 1 10 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.175 -0.316 18027 6417 1 10 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.237 -2.363 18027 6418 1 10 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.140 -3.743 18027 6419 1 10 . 1 1 54 54 GLU H H 54 7.391 7.391 7.477 -0.086 18027 6420 1 10 . 1 1 55 55 VAL N N 55 114.596 114.596 117.276 -2.680 18027 6421 1 10 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.063 -0.076 18027 6422 1 10 . 1 1 55 55 VAL CA C 55 58.945 58.945 63.005 -4.060 18027 6423 1 10 . 1 1 55 55 VAL CB C 55 30.738 30.738 33.208 -2.470 18027 6424 1 10 . 1 1 55 55 VAL H H 55 7.151 7.151 7.464 -0.313 18027 6425 1 10 . 1 1 56 56 ASP N N 56 119.670 119.670 121.652 -1.982 18027 6426 1 10 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.414 -0.097 18027 6427 1 10 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.450 -4.094 18027 6428 1 10 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.205 -3.614 18027 6429 1 10 . 1 1 56 56 ASP H H 56 7.913 7.913 8.187 -0.274 18027 6430 1 10 . 1 1 57 57 ALA N N 57 131.491 131.491 129.482 2.009 18027 6431 1 10 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.191 -0.090 18027 6432 1 10 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.728 -2.545 18027 6433 1 10 . 1 1 57 57 ALA H H 57 8.126 8.126 8.641 -0.515 18027 6434 1 10 . 1 1 58 58 ASP N N 58 114.255 114.255 117.213 -2.958 18027 6435 1 10 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.648 -0.214 18027 6436 1 10 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.918 -4.958 18027 6437 1 10 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.832 -5.269 18027 6438 1 10 . 1 1 58 58 ASP H H 58 8.130 8.130 8.125 0.005 18027 6439 1 10 . 1 1 59 59 GLY N N 59 108.987 108.987 108.253 0.734 18027 6440 1 10 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.292 -0.996 18027 6441 1 10 . 1 1 59 59 GLY H H 59 7.504 7.504 8.289 -0.785 18027 6442 1 10 . 1 1 60 60 ASN N N 60 118.770 118.770 119.874 -1.104 18027 6443 1 10 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.785 -0.356 18027 6444 1 10 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.575 -2.716 18027 6445 1 10 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.240 -5.733 18027 6446 1 10 . 1 1 60 60 ASN H H 60 8.095 8.095 8.758 -0.663 18027 6447 1 10 . 1 1 61 61 GLY N N 61 112.773 112.773 109.241 3.532 18027 6448 1 10 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.513 -2.801 18027 6449 1 10 . 1 1 61 61 GLY H H 61 10.280 10.280 8.596 1.684 18027 6450 1 10 . 1 1 62 62 THR N N 62 108.117 108.117 110.955 -2.838 18027 6451 1 10 . 1 1 62 62 THR HA H 62 4.672 4.672 5.074 -0.402 18027 6452 1 10 . 1 1 62 62 THR CA C 62 56.878 56.878 60.182 -3.304 18027 6453 1 10 . 1 1 62 62 THR CB C 62 69.688 69.688 71.648 -1.960 18027 6454 1 10 . 1 1 62 62 THR H H 62 7.475 7.475 7.719 -0.244 18027 6455 1 10 . 1 1 63 63 ILE N N 63 122.642 122.642 123.143 -0.501 18027 6456 1 10 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.385 0.411 18027 6457 1 10 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.124 -2.312 18027 6458 1 10 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.678 -4.316 18027 6459 1 10 . 1 1 63 63 ILE H H 63 8.449 8.449 8.303 0.146 18027 6460 1 10 . 1 1 64 64 ASP N N 64 128.633 128.633 125.755 2.878 18027 6461 1 10 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.464 -0.148 18027 6462 1 10 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.053 -3.773 18027 6463 1 10 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.979 -4.218 18027 6464 1 10 . 1 1 64 64 ASP H H 64 9.011 9.011 8.538 0.473 18027 6465 1 10 . 1 1 65 65 PHE N N 65 118.892 118.892 116.901 1.991 18027 6466 1 10 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.374 -0.607 18027 6467 1 10 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.929 -0.716 18027 6468 1 10 . 1 1 65 65 PHE H H 65 8.766 8.766 8.263 0.503 18027 6469 1 10 . 1 1 67 67 GLU N N 67 118.675 118.675 116.226 2.449 18027 6470 1 10 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.282 -0.445 18027 6471 1 10 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.479 -0.874 18027 6472 1 10 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.618 -2.221 18027 6473 1 10 . 1 1 67 67 GLU H H 67 7.487 7.487 8.712 -1.225 18027 6474 1 10 . 1 1 68 68 PHE N N 68 123.182 123.182 120.763 2.419 18027 6475 1 10 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.302 -0.634 18027 6476 1 10 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.719 -3.290 18027 6477 1 10 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.608 -2.017 18027 6478 1 10 . 1 1 68 68 PHE H H 68 8.066 8.066 7.493 0.573 18027 6479 1 10 . 1 1 69 69 LEU N N 69 119.530 119.530 117.705 1.825 18027 6480 1 10 . 1 1 69 69 LEU HA H 69 3.955 3.955 3.955 -0.000 18027 6481 1 10 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.065 -2.291 18027 6482 1 10 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.474 -2.055 18027 6483 1 10 . 1 1 69 69 LEU H H 69 8.672 8.672 8.102 0.570 18027 6484 1 10 . 1 1 70 70 THR N N 70 113.765 113.765 115.354 -1.589 18027 6485 1 10 . 1 1 70 70 THR HA H 70 3.806 3.806 3.915 -0.109 18027 6486 1 10 . 1 1 70 70 THR CA C 70 63.861 63.861 66.769 -2.908 18027 6487 1 10 . 1 1 70 70 THR CB C 70 66.147 66.147 68.523 -2.376 18027 6488 1 10 . 1 1 70 70 THR H H 70 7.909 7.909 7.675 0.234 18027 6489 1 10 . 1 1 71 71 MET N N 71 119.518 119.518 119.190 0.328 18027 6490 1 10 . 1 1 71 71 MET HA H 71 3.881 3.881 4.223 -0.342 18027 6491 1 10 . 1 1 71 71 MET CA C 71 56.106 56.106 58.379 -2.273 18027 6492 1 10 . 1 1 71 71 MET CB C 71 29.595 29.595 32.816 -3.221 18027 6493 1 10 . 1 1 71 71 MET H H 71 7.120 7.120 7.414 -0.294 18027 6494 1 10 . 1 1 72 72 MET N N 72 116.280 116.280 119.411 -3.131 18027 6495 1 10 . 1 1 72 72 MET HA H 72 3.817 3.817 4.221 -0.404 18027 6496 1 10 . 1 1 72 72 MET CA C 72 55.111 55.111 57.718 -2.607 18027 6497 1 10 . 1 1 72 72 MET CB C 72 27.892 27.892 32.725 -4.833 18027 6498 1 10 . 1 1 72 72 MET H H 72 7.737 7.737 7.554 0.183 18027 6499 1 10 . 1 1 73 73 ALA N N 73 119.984 119.984 119.520 0.464 18027 6500 1 10 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.171 -0.333 18027 6501 1 10 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.776 -1.964 18027 6502 1 10 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.160 -2.957 18027 6503 1 10 . 1 1 73 73 ALA H H 73 8.322 8.322 7.622 0.700 18027 6504 1 10 . 1 1 74 74 ARG N N 74 116.354 116.354 119.429 -3.075 18027 6505 1 10 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.172 -0.334 18027 6506 1 10 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.861 -2.904 18027 6507 1 10 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.496 -5.241 18027 6508 1 10 . 1 1 74 74 ARG H H 74 7.264 7.264 7.686 -0.422 18027 6509 1 10 . 1 1 75 75 LYS N N 75 120.084 120.084 119.118 0.966 18027 6510 1 10 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.639 -0.691 18027 6511 1 10 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.184 -2.325 18027 6512 1 10 . 1 1 75 75 LYS CB C 75 28.681 28.681 31.866 -3.185 18027 6513 1 10 . 1 1 75 75 LYS H H 75 7.756 7.756 7.749 0.007 18027 6514 1 10 . 1 1 76 76 MET N N 76 117.139 117.139 117.258 -0.119 18027 6515 1 10 . 1 1 76 76 MET HA H 76 4.168 4.168 4.311 -0.143 18027 6516 1 10 . 1 1 76 76 MET CA C 76 54.704 54.704 57.436 -2.732 18027 6517 1 10 . 1 1 76 76 MET CB C 76 30.052 30.052 32.985 -2.933 18027 6518 1 10 . 1 1 76 76 MET H H 76 7.985 7.985 7.628 0.357 18027 6519 1 10 . 1 1 77 77 LYS N N 77 116.614 116.614 115.623 0.991 18027 6520 1 10 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.469 -0.248 18027 6521 1 10 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.319 -3.135 18027 6522 1 10 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.176 -5.893 18027 6523 1 10 . 1 1 77 77 LYS H H 77 7.275 7.275 7.449 -0.174 18027 6524 1 10 . 1 1 78 78 ASP N N 78 123.187 123.187 121.329 1.858 18027 6525 1 10 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.699 -0.248 18027 6526 1 10 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.881 -3.149 18027 6527 1 10 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.151 -2.760 18027 6528 1 10 . 1 1 78 78 ASP H H 78 8.181 8.181 7.745 0.436 18027 6529 1 10 . 1 1 79 79 THR N N 79 114.325 114.325 110.967 3.358 18027 6530 1 10 . 1 1 79 79 THR HA H 79 4.034 4.034 3.899 0.135 18027 6531 1 10 . 1 1 79 79 THR CA C 79 61.322 61.322 64.600 -3.278 18027 6532 1 10 . 1 1 79 79 THR CB C 79 66.147 66.147 67.162 -1.015 18027 6533 1 10 . 1 1 79 79 THR H H 79 8.377 8.377 8.346 0.031 18027 6534 1 10 . 1 1 80 80 ASP N N 80 120.844 120.844 119.617 1.227 18027 6535 1 10 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.803 -0.498 18027 6536 1 10 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.612 -2.940 18027 6537 1 10 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.880 -3.289 18027 6538 1 10 . 1 1 80 80 ASP H H 80 8.223 8.223 8.551 -0.328 18027 6539 1 10 . 1 1 81 81 SER N N 81 115.729 115.729 114.582 1.147 18027 6540 1 10 . 1 1 81 81 SER HA H 81 3.911 3.911 4.440 -0.529 18027 6541 1 10 . 1 1 81 81 SER CA C 81 57.939 57.939 60.279 -2.340 18027 6542 1 10 . 1 1 81 81 SER CB C 81 60.664 60.664 62.959 -2.295 18027 6543 1 10 . 1 1 81 81 SER H H 81 7.785 7.785 8.368 -0.583 18027 6544 1 10 . 1 1 82 82 GLU N N 82 121.960 121.960 122.641 -0.681 18027 6545 1 10 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.040 -0.143 18027 6546 1 10 . 1 1 82 82 GLU CA C 82 56.829 56.829 59.174 -2.345 18027 6547 1 10 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.480 -2.855 18027 6548 1 10 . 1 1 82 82 GLU H H 82 8.208 8.208 8.607 -0.399 18027 6549 1 10 . 1 1 83 83 GLU N N 83 118.040 118.040 117.765 0.275 18027 6550 1 10 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.137 -0.299 18027 6551 1 10 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.899 -2.954 18027 6552 1 10 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.258 -2.426 18027 6553 1 10 . 1 1 83 83 GLU H H 83 7.898 7.898 7.829 0.069 18027 6554 1 10 . 1 1 84 84 GLU N N 84 118.825 118.825 119.979 -1.154 18027 6555 1 10 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.457 -3.699 18027 6556 1 10 . 1 1 84 84 GLU CB C 84 30.852 30.852 30.043 0.809 18027 6557 1 10 . 1 1 84 84 GLU H H 84 8.154 8.154 7.407 0.747 18027 6558 1 10 . 1 1 85 85 ILE N N 85 119.310 119.310 119.438 -0.128 18027 6559 1 10 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.894 -0.127 18027 6560 1 10 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.921 -5.063 18027 6561 1 10 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.892 -2.243 18027 6562 1 10 . 1 1 85 85 ILE H H 85 7.793 7.793 7.538 0.255 18027 6563 1 10 . 1 1 86 86 ARG N N 86 120.640 120.640 119.733 0.907 18027 6564 1 10 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.929 -0.004 18027 6565 1 10 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.638 -2.373 18027 6566 1 10 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.348 -2.494 18027 6567 1 10 . 1 1 86 86 ARG H H 86 8.177 8.177 7.901 0.276 18027 6568 1 10 . 1 1 87 87 GLU N N 87 119.448 119.448 119.611 -0.163 18027 6569 1 10 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.182 -0.330 18027 6570 1 10 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.888 -2.245 18027 6571 1 10 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.305 -3.251 18027 6572 1 10 . 1 1 87 87 GLU H H 87 7.828 7.828 7.663 0.165 18027 6573 1 10 . 1 1 88 88 ALA N N 88 122.592 122.592 122.468 0.124 18027 6574 1 10 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.367 -0.339 18027 6575 1 10 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.807 -2.211 18027 6576 1 10 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.785 -4.153 18027 6577 1 10 . 1 1 88 88 ALA H H 88 8.283 8.283 7.490 0.793 18027 6578 1 10 . 1 1 89 89 PHE N N 89 119.245 119.245 119.313 -0.068 18027 6579 1 10 . 1 1 89 89 PHE HA H 89 3.114 3.114 3.948 -0.834 18027 6580 1 10 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.566 -2.021 18027 6581 1 10 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.593 -3.258 18027 6582 1 10 . 1 1 89 89 PHE H H 89 8.423 8.423 8.739 -0.316 18027 6583 1 10 . 1 1 90 90 ARG N N 90 117.455 117.455 119.120 -1.665 18027 6584 1 10 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.194 -0.345 18027 6585 1 10 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.141 -2.828 18027 6586 1 10 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.685 -2.488 18027 6587 1 10 . 1 1 90 90 ARG H H 90 7.840 7.840 7.812 0.028 18027 6588 1 10 . 1 1 91 91 VAL N N 91 118.698 118.698 118.488 0.210 18027 6589 1 10 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.777 -0.525 18027 6590 1 10 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.771 -1.438 18027 6591 1 10 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.759 -3.649 18027 6592 1 10 . 1 1 91 91 VAL H H 91 7.262 7.262 7.302 -0.040 18027 6593 1 10 . 1 1 92 92 PHE N N 92 112.495 112.495 117.786 -5.291 18027 6594 1 10 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.346 -0.412 18027 6595 1 10 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.476 -3.295 18027 6596 1 10 . 1 1 92 92 PHE CB C 92 39.419 39.419 40.058 -0.639 18027 6597 1 10 . 1 1 92 92 PHE H H 92 6.693 6.693 7.473 -0.780 18027 6598 1 10 . 1 1 93 93 ASP N N 93 117.214 117.214 118.464 -1.250 18027 6599 1 10 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.626 -0.192 18027 6600 1 10 . 1 1 93 93 ASP CA C 93 49.781 49.781 53.130 -3.349 18027 6601 1 10 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.287 -2.838 18027 6602 1 10 . 1 1 93 93 ASP H H 93 7.954 7.954 8.000 -0.046 18027 6603 1 10 . 1 1 94 94 LYS N N 94 125.565 125.565 121.488 4.077 18027 6604 1 10 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.079 -0.300 18027 6605 1 10 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.060 -2.381 18027 6606 1 10 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.608 -3.013 18027 6607 1 10 . 1 1 94 94 LYS H H 94 7.671 7.671 7.860 -0.189 18027 6608 1 10 . 1 1 95 95 ASP N N 95 114.041 114.041 116.745 -2.704 18027 6609 1 10 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.778 -0.370 18027 6610 1 10 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.102 -2.889 18027 6611 1 10 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.357 -4.794 18027 6612 1 10 . 1 1 95 95 ASP H H 95 7.944 7.944 7.993 -0.049 18027 6613 1 10 . 1 1 96 96 GLY N N 96 108.849 108.849 108.275 0.574 18027 6614 1 10 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.979 -1.780 18027 6615 1 10 . 1 1 96 96 GLY H H 96 7.529 7.529 7.737 -0.208 18027 6616 1 10 . 1 1 97 97 ASN N N 97 119.410 119.410 119.082 0.328 18027 6617 1 10 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.622 -0.198 18027 6618 1 10 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.555 -3.872 18027 6619 1 10 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.705 -2.142 18027 6620 1 10 . 1 1 97 97 ASN H H 97 8.234 8.234 8.326 -0.092 18027 6621 1 10 . 1 1 98 98 GLY N N 98 112.073 112.073 105.714 6.359 18027 6622 1 10 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.270 -3.094 18027 6623 1 10 . 1 1 98 98 GLY H H 98 10.298 10.298 8.455 1.843 18027 6624 1 10 . 1 1 99 99 TYR N N 99 116.011 116.011 116.733 -0.722 18027 6625 1 10 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.033 -0.215 18027 6626 1 10 . 1 1 99 99 TYR CA C 99 53.681 53.681 55.434 -1.753 18027 6627 1 10 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.182 -0.307 18027 6628 1 10 . 1 1 99 99 TYR H H 99 7.497 7.497 7.227 0.270 18027 6629 1 10 . 1 1 100 100 ILE N N 100 126.793 126.793 121.524 5.269 18027 6630 1 10 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.213 0.210 18027 6631 1 10 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.837 -2.208 18027 6632 1 10 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.509 -2.761 18027 6633 1 10 . 1 1 100 100 ILE H H 100 9.833 9.833 7.715 2.118 18027 6634 1 10 . 1 1 101 101 SER N N 101 123.825 123.825 124.054 -0.229 18027 6635 1 10 . 1 1 101 101 SER HA H 101 4.657 4.657 4.957 -0.300 18027 6636 1 10 . 1 1 101 101 SER CA C 101 53.060 53.060 58.233 -5.173 18027 6637 1 10 . 1 1 101 101 SER CB C 101 64.091 64.091 64.477 -0.386 18027 6638 1 10 . 1 1 101 101 SER H H 101 8.870 8.870 8.754 0.116 18027 6639 1 10 . 1 1 102 102 ALA N N 102 122.909 122.909 126.728 -3.819 18027 6640 1 10 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.055 -0.291 18027 6641 1 10 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.419 -2.369 18027 6642 1 10 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.442 -3.467 18027 6643 1 10 . 1 1 102 102 ALA H H 102 9.209 9.209 8.421 0.788 18027 6644 1 10 . 1 1 103 103 ALA N N 103 118.692 118.692 120.578 -1.886 18027 6645 1 10 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.054 -0.180 18027 6646 1 10 . 1 1 103 103 ALA CA C 103 52.485 52.485 55.126 -2.641 18027 6647 1 10 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.323 -3.120 18027 6648 1 10 . 1 1 103 103 ALA H H 103 8.146 8.146 8.410 -0.264 18027 6649 1 10 . 1 1 104 104 GLU N N 104 120.098 120.098 118.803 1.295 18027 6650 1 10 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.283 -0.420 18027 6651 1 10 . 1 1 104 104 GLU CA C 104 56.575 56.575 59.179 -2.604 18027 6652 1 10 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.838 -4.470 18027 6653 1 10 . 1 1 104 104 GLU H H 104 7.832 7.832 7.984 -0.152 18027 6654 1 10 . 1 1 105 105 LEU N N 105 121.466 121.466 118.323 3.143 18027 6655 1 10 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.426 -0.310 18027 6656 1 10 . 1 1 105 105 LEU CA C 105 55.696 55.696 58.195 -2.499 18027 6657 1 10 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.703 -2.741 18027 6658 1 10 . 1 1 105 105 LEU H H 105 8.300 8.300 7.697 0.603 18027 6659 1 10 . 1 1 106 106 ARG N N 106 118.978 118.978 119.617 -0.639 18027 6660 1 10 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.939 -0.087 18027 6661 1 10 . 1 1 106 106 ARG CA C 106 57.434 57.434 60.095 -2.661 18027 6662 1 10 . 1 1 106 106 ARG CB C 106 27.084 27.084 30.064 -2.980 18027 6663 1 10 . 1 1 106 106 ARG H H 106 8.882 8.882 8.376 0.506 18027 6664 1 10 . 1 1 107 107 HIS N N 107 118.543 118.543 118.835 -0.292 18027 6665 1 10 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.302 -0.102 18027 6666 1 10 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.853 -3.028 18027 6667 1 10 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.515 -2.775 18027 6668 1 10 . 1 1 107 107 HIS H H 107 7.991 7.991 7.728 0.263 18027 6669 1 10 . 1 1 108 108 VAL N N 108 118.687 118.687 118.644 0.043 18027 6670 1 10 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.639 -0.547 18027 6671 1 10 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.104 -1.894 18027 6672 1 10 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.647 -2.737 18027 6673 1 10 . 1 1 108 108 VAL H H 108 7.425 7.425 7.436 -0.011 18027 6674 1 10 . 1 1 109 109 MET N N 109 115.725 115.725 117.127 -1.402 18027 6675 1 10 . 1 1 109 109 MET HA H 109 3.944 3.944 4.258 -0.314 18027 6676 1 10 . 1 1 109 109 MET CA C 109 55.212 55.212 58.669 -3.457 18027 6677 1 10 . 1 1 109 109 MET CB C 109 27.425 27.425 33.129 -5.704 18027 6678 1 10 . 1 1 109 109 MET H H 109 7.972 7.972 7.551 0.421 18027 6679 1 10 . 1 1 110 110 THR N N 110 116.999 116.999 114.299 2.700 18027 6680 1 10 . 1 1 110 110 THR HA H 110 3.852 3.852 4.481 -0.629 18027 6681 1 10 . 1 1 110 110 THR CA C 110 63.918 63.918 64.910 -0.992 18027 6682 1 10 . 1 1 110 110 THR CB C 110 65.844 65.844 68.193 -2.349 18027 6683 1 10 . 1 1 110 110 THR H H 110 8.691 8.691 8.243 0.448 18027 6684 1 10 . 1 1 111 111 ASN N N 111 123.893 123.893 120.789 3.104 18027 6685 1 10 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.622 -0.381 18027 6686 1 10 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.382 -2.433 18027 6687 1 10 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.553 -3.589 18027 6688 1 10 . 1 1 111 111 ASN H H 111 7.911 7.911 8.222 -0.311 18027 6689 1 10 . 1 1 112 112 LEU N N 112 119.244 119.244 116.942 2.302 18027 6690 1 10 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.182 -0.110 18027 6691 1 10 . 1 1 112 112 LEU CA C 112 52.901 52.901 54.889 -1.988 18027 6692 1 10 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.449 -2.916 18027 6693 1 10 . 1 1 112 112 LEU H H 112 7.618 7.618 7.227 0.391 18027 6694 1 10 . 1 1 113 113 GLY N N 113 107.263 107.263 106.280 0.983 18027 6695 1 10 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.811 -2.374 18027 6696 1 10 . 1 1 113 113 GLY H H 113 7.743 7.743 7.457 0.286 18027 6697 1 10 . 1 1 114 114 GLU N N 114 120.073 120.073 119.619 0.454 18027 6698 1 10 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.561 -0.271 18027 6699 1 10 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.869 -3.343 18027 6700 1 10 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.273 -4.734 18027 6701 1 10 . 1 1 114 114 GLU H H 114 7.857 7.857 7.852 0.005 18027 6702 1 10 . 1 1 115 115 LYS N N 115 124.142 124.142 124.313 -0.171 18027 6703 1 10 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.812 -0.592 18027 6704 1 10 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.795 -2.901 18027 6705 1 10 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.257 -3.776 18027 6706 1 10 . 1 1 115 115 LYS H H 115 8.377 8.377 8.579 -0.202 18027 6707 1 10 . 1 1 116 116 LEU N N 116 125.240 125.240 124.761 0.479 18027 6708 1 10 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.682 -0.210 18027 6709 1 10 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.596 -2.159 18027 6710 1 10 . 1 1 116 116 LEU CB C 116 40.675 40.675 45.029 -4.354 18027 6711 1 10 . 1 1 116 116 LEU H H 116 8.002 8.002 8.597 -0.595 18027 6712 1 10 . 1 1 117 117 THR N N 117 113.520 113.520 112.620 0.900 18027 6713 1 10 . 1 1 117 117 THR CA C 117 57.922 57.922 60.432 -2.510 18027 6714 1 10 . 1 1 117 117 THR CB C 117 68.352 68.352 70.688 -2.336 18027 6715 1 10 . 1 1 117 117 THR H H 117 8.927 8.927 8.518 0.409 18027 6716 1 10 . 1 1 118 118 ASP N N 118 120.859 120.859 121.899 -1.040 18027 6717 1 10 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.421 -0.378 18027 6718 1 10 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.283 -2.119 18027 6719 1 10 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.873 -4.099 18027 6720 1 10 . 1 1 118 118 ASP H H 118 8.754 8.754 8.738 0.016 18027 6721 1 10 . 1 1 119 119 GLU N N 119 119.112 119.112 118.521 0.591 18027 6722 1 10 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.075 -0.148 18027 6723 1 10 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.986 -1.796 18027 6724 1 10 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.483 -3.200 18027 6725 1 10 . 1 1 119 119 GLU H H 119 8.507 8.507 8.810 -0.303 18027 6726 1 10 . 1 1 120 120 GLU N N 120 120.059 120.059 118.585 1.474 18027 6727 1 10 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.143 -0.285 18027 6728 1 10 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.345 -1.886 18027 6729 1 10 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.803 -2.286 18027 6730 1 10 . 1 1 120 120 GLU H H 120 7.809 7.809 7.802 0.007 18027 6731 1 10 . 1 1 121 121 VAL N N 121 120.512 120.512 118.408 2.104 18027 6732 1 10 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.722 -0.250 18027 6733 1 10 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.387 -2.305 18027 6734 1 10 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.975 -3.408 18027 6735 1 10 . 1 1 121 121 VAL H H 121 7.898 7.898 7.472 0.426 18027 6736 1 10 . 1 1 122 122 ASP N N 122 119.857 119.857 120.344 -0.487 18027 6737 1 10 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.305 -0.137 18027 6738 1 10 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.726 -2.820 18027 6739 1 10 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.686 -3.209 18027 6740 1 10 . 1 1 122 122 ASP H H 122 7.897 7.897 7.894 0.003 18027 6741 1 10 . 1 1 123 123 GLU N N 123 119.630 119.630 118.687 0.943 18027 6742 1 10 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.094 -0.256 18027 6743 1 10 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.569 -1.492 18027 6744 1 10 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.650 -3.481 18027 6745 1 10 . 1 1 123 123 GLU H H 123 7.963 7.963 7.719 0.244 18027 6746 1 10 . 1 1 124 124 MET N N 124 119.144 119.144 117.238 1.906 18027 6747 1 10 . 1 1 124 124 MET HA H 124 3.859 3.859 4.213 -0.354 18027 6748 1 10 . 1 1 124 124 MET CA C 124 56.508 56.508 58.696 -2.188 18027 6749 1 10 . 1 1 124 124 MET CB C 124 29.253 29.253 33.137 -3.884 18027 6750 1 10 . 1 1 124 124 MET H H 124 7.631 7.631 7.583 0.048 18027 6751 1 10 . 1 1 125 125 ILE N N 125 117.557 117.557 118.511 -0.954 18027 6752 1 10 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.949 -0.665 18027 6753 1 10 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.144 -3.005 18027 6754 1 10 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.676 -3.626 18027 6755 1 10 . 1 1 125 125 ILE H H 125 7.669 7.669 7.239 0.430 18027 6756 1 10 . 1 1 126 126 ARG N N 126 118.414 118.414 120.138 -1.724 18027 6757 1 10 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.175 -0.317 18027 6758 1 10 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.343 -1.541 18027 6759 1 10 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.352 -1.927 18027 6760 1 10 . 1 1 126 126 ARG H H 126 7.952 7.952 7.549 0.403 18027 6761 1 10 . 1 1 127 127 GLU N N 127 116.143 116.143 117.617 -1.474 18027 6762 1 10 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.287 -0.429 18027 6763 1 10 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.374 -2.159 18027 6764 1 10 . 1 1 127 127 GLU CB C 127 27.197 27.197 29.948 -2.751 18027 6765 1 10 . 1 1 127 127 GLU H H 127 7.294 7.294 8.049 -0.755 18027 6766 1 10 . 1 1 128 128 ALA N N 128 116.994 116.994 120.016 -3.022 18027 6767 1 10 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.558 -0.105 18027 6768 1 10 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.998 -3.826 18027 6769 1 10 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.608 -0.836 18027 6770 1 10 . 1 1 128 128 ALA H H 128 7.110 7.110 7.171 -0.061 18027 6771 1 10 . 1 1 129 129 ASP N N 129 117.846 117.846 121.556 -3.710 18027 6772 1 10 . 1 1 129 129 ASP HA H 129 4.442 4.442 5.166 -0.724 18027 6773 1 10 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.291 -2.658 18027 6774 1 10 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.766 -2.261 18027 6775 1 10 . 1 1 129 129 ASP H H 129 7.508 7.508 8.576 -1.068 18027 6776 1 10 . 1 1 130 130 ILE N N 130 128.118 128.118 121.421 6.697 18027 6777 1 10 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.002 -0.252 18027 6778 1 10 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.742 -3.159 18027 6779 1 10 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.029 -2.266 18027 6780 1 10 . 1 1 130 130 ILE H H 130 8.168 8.168 8.490 -0.322 18027 6781 1 10 . 1 1 131 131 ASP N N 131 116.572 116.572 118.786 -2.214 18027 6782 1 10 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.574 -0.278 18027 6783 1 10 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.345 -2.223 18027 6784 1 10 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.338 -2.861 18027 6785 1 10 . 1 1 131 131 ASP H H 131 8.136 8.136 8.069 0.067 18027 6786 1 10 . 1 1 132 132 GLY N N 132 108.411 108.411 108.478 -0.067 18027 6787 1 10 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.937 -1.430 18027 6788 1 10 . 1 1 132 132 GLY H H 132 7.460 7.460 8.200 -0.740 18027 6789 1 10 . 1 1 133 133 ASP N N 133 120.424 120.424 119.848 0.576 18027 6790 1 10 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.503 -0.207 18027 6791 1 10 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.850 -2.997 18027 6792 1 10 . 1 1 133 133 ASP H H 133 8.177 8.177 8.082 0.095 18027 6793 1 10 . 1 1 134 134 GLY N N 134 112.396 112.396 106.688 5.708 18027 6794 1 10 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.326 -2.273 18027 6795 1 10 . 1 1 134 134 GLY H H 134 10.043 10.043 7.647 2.396 18027 6796 1 10 . 1 1 135 135 GLN N N 135 115.588 115.588 118.986 -3.398 18027 6797 1 10 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.231 -0.427 18027 6798 1 10 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.467 -3.052 18027 6799 1 10 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.248 -2.967 18027 6800 1 10 . 1 1 135 135 GLN H H 135 7.866 7.866 7.527 0.339 18027 6801 1 10 . 1 1 136 136 VAL N N 136 124.910 124.910 121.608 3.302 18027 6802 1 10 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.282 0.717 18027 6803 1 10 . 1 1 136 136 VAL CA C 136 58.707 58.707 59.931 -1.224 18027 6804 1 10 . 1 1 136 136 VAL CB C 136 31.080 31.080 32.412 -1.332 18027 6805 1 10 . 1 1 136 136 VAL H H 136 8.856 8.856 8.738 0.118 18027 6806 1 10 . 1 1 137 137 ASN N N 137 129.009 129.009 123.991 5.018 18027 6807 1 10 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.264 -0.091 18027 6808 1 10 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.741 -3.658 18027 6809 1 10 . 1 1 137 137 ASN CB C 137 35.634 35.634 41.282 -5.648 18027 6810 1 10 . 1 1 137 137 ASN H H 137 9.390 9.390 8.638 0.752 18027 6811 1 10 . 1 1 138 138 TYR N N 138 118.471 118.471 120.418 -1.947 18027 6812 1 10 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.321 0.157 18027 6813 1 10 . 1 1 138 138 TYR CA C 138 59.799 59.799 60.723 -0.924 18027 6814 1 10 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.070 -1.535 18027 6815 1 10 . 1 1 138 138 TYR H H 138 8.075 8.075 8.753 -0.678 18027 6816 1 10 . 1 1 139 139 GLU N N 139 118.535 118.535 120.166 -1.631 18027 6817 1 10 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.172 -0.334 18027 6818 1 10 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.436 -1.904 18027 6819 1 10 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.755 -2.815 18027 6820 1 10 . 1 1 139 139 GLU H H 139 7.925 7.925 8.482 -0.557 18027 6821 1 10 . 1 1 140 140 GLU N N 140 119.583 119.583 120.040 -0.457 18027 6822 1 10 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.159 -0.310 18027 6823 1 10 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.968 -2.886 18027 6824 1 10 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.496 -2.985 18027 6825 1 10 . 1 1 140 140 GLU H H 140 8.664 8.664 8.491 0.173 18027 6826 1 10 . 1 1 141 141 PHE N N 141 123.810 123.810 120.404 3.406 18027 6827 1 10 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.201 -0.480 18027 6828 1 10 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.591 -2.499 18027 6829 1 10 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.483 -1.778 18027 6830 1 10 . 1 1 141 141 PHE H H 141 8.395 8.395 8.528 -0.133 18027 6831 1 10 . 1 1 142 142 VAL N N 142 118.551 118.551 119.077 -0.526 18027 6832 1 10 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.721 -0.629 18027 6833 1 10 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.340 -2.158 18027 6834 1 10 . 1 1 142 142 VAL CB C 142 28.796 28.796 32.087 -3.291 18027 6835 1 10 . 1 1 142 142 VAL H H 142 8.484 8.484 8.101 0.383 18027 6836 1 10 . 1 1 143 143 GLN N N 143 119.672 119.672 117.577 2.095 18027 6837 1 10 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.059 -0.221 18027 6838 1 10 . 1 1 143 143 GLN CA C 143 56.273 56.273 57.913 -1.640 18027 6839 1 10 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.809 -3.897 18027 6840 1 10 . 1 1 143 143 GLN H H 143 7.803 7.803 7.520 0.283 18027 6841 1 10 . 1 1 144 144 MET N N 144 116.710 116.710 117.573 -0.863 18027 6842 1 10 . 1 1 144 144 MET HA H 144 3.943 3.943 4.194 -0.252 18027 6843 1 10 . 1 1 144 144 MET CA C 144 55.387 55.387 57.236 -1.849 18027 6844 1 10 . 1 1 144 144 MET CB C 144 29.709 29.709 32.206 -2.497 18027 6845 1 10 . 1 1 144 144 MET H H 144 7.322 7.322 7.534 -0.212 18027 6846 1 10 . 1 1 145 145 MET N N 145 114.879 114.879 114.819 0.060 18027 6847 1 10 . 1 1 145 145 MET HA H 145 4.062 4.062 4.376 -0.314 18027 6848 1 10 . 1 1 145 145 MET CA C 145 53.291 53.291 58.230 -4.939 18027 6849 1 10 . 1 1 145 145 MET CB C 145 29.253 29.253 33.525 -4.272 18027 6850 1 10 . 1 1 145 145 MET H H 145 7.467 7.467 7.598 -0.131 18027 6851 1 10 . 1 1 146 146 THR N N 146 108.698 108.698 111.188 -2.490 18027 6852 1 10 . 1 1 146 146 THR HA H 146 4.136 4.136 4.361 -0.225 18027 6853 1 10 . 1 1 146 146 THR CA C 146 59.201 59.201 61.347 -2.146 18027 6854 1 10 . 1 1 146 146 THR CB C 146 67.404 67.404 69.569 -2.165 18027 6855 1 10 . 1 1 146 146 THR H H 146 7.551 7.551 7.604 -0.053 18027 6856 1 10 . 1 1 147 147 ALA N N 147 126.669 126.669 124.335 2.334 18027 6857 1 10 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.289 -0.144 18027 6858 1 10 . 1 1 147 147 ALA CA C 147 50.073 50.073 52.253 -2.180 18027 6859 1 10 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.773 -3.428 18027 6860 1 10 . 1 1 147 147 ALA H H 147 7.596 7.596 7.359 0.237 18027 6861 1 11 . 1 1 2 2 ASP N N 2 120.442 120.442 120.622 -0.180 18027 6862 1 11 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.679 -0.226 18027 6863 1 11 . 1 1 2 2 ASP CA C 2 51.929 51.929 55.031 -3.102 18027 6864 1 11 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.880 -3.376 18027 6865 1 11 . 1 1 2 2 ASP H H 2 8.521 8.521 8.540 -0.019 18027 6866 1 11 . 1 1 3 3 GLN N N 3 119.769 119.769 118.538 1.231 18027 6867 1 11 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.622 -0.404 18027 6868 1 11 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.122 -2.436 18027 6869 1 11 . 1 1 3 3 GLN H H 3 8.199 8.199 7.927 0.272 18027 6870 1 11 . 1 1 4 4 LEU N N 4 120.939 120.939 122.436 -1.497 18027 6871 1 11 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.636 -0.153 18027 6872 1 11 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.690 -3.106 18027 6873 1 11 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.525 -2.964 18027 6874 1 11 . 1 1 4 4 LEU H H 4 7.510 7.510 8.497 -0.987 18027 6875 1 11 . 1 1 5 5 THR N N 5 112.777 112.777 115.134 -2.357 18027 6876 1 11 . 1 1 5 5 THR HA H 5 4.253 4.253 4.594 -0.341 18027 6877 1 11 . 1 1 5 5 THR CA C 5 57.873 57.873 61.620 -3.747 18027 6878 1 11 . 1 1 5 5 THR CB C 5 68.203 68.203 70.055 -1.852 18027 6879 1 11 . 1 1 5 5 THR H H 5 8.576 8.576 8.441 0.135 18027 6880 1 11 . 1 1 6 6 GLU N N 6 120.254 120.254 120.447 -0.193 18027 6881 1 11 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.152 -0.358 18027 6882 1 11 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.033 -1.388 18027 6883 1 11 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.020 -2.734 18027 6884 1 11 . 1 1 6 6 GLU H H 6 8.874 8.874 8.776 0.098 18027 6885 1 11 . 1 1 7 7 GLU N N 7 119.637 119.637 119.310 0.327 18027 6886 1 11 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.207 -0.311 18027 6887 1 11 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.824 -1.648 18027 6888 1 11 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.460 -3.406 18027 6889 1 11 . 1 1 7 7 GLU H H 7 8.536 8.536 8.413 0.123 18027 6890 1 11 . 1 1 8 8 GLN N N 8 120.086 120.086 118.411 1.675 18027 6891 1 11 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.414 -0.576 18027 6892 1 11 . 1 1 8 8 GLN CA C 8 56.411 56.411 57.679 -1.268 18027 6893 1 11 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.091 -2.466 18027 6894 1 11 . 1 1 8 8 GLN H H 8 7.499 7.499 7.811 -0.312 18027 6895 1 11 . 1 1 9 9 ILE N N 9 120.295 120.295 119.385 0.910 18027 6896 1 11 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.891 -0.224 18027 6897 1 11 . 1 1 9 9 ILE CA C 9 64.046 64.046 63.753 0.293 18027 6898 1 11 . 1 1 9 9 ILE H H 9 8.405 8.405 8.613 -0.208 18027 6899 1 11 . 1 1 10 10 ALA N N 10 121.503 121.503 121.188 0.315 18027 6900 1 11 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.151 -0.240 18027 6901 1 11 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.142 -2.485 18027 6902 1 11 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.172 -3.197 18027 6903 1 11 . 1 1 10 10 ALA H H 10 7.949 7.949 7.480 0.469 18027 6904 1 11 . 1 1 11 11 GLU N N 11 118.352 118.352 118.526 -0.174 18027 6905 1 11 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.157 -0.319 18027 6906 1 11 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.645 -1.972 18027 6907 1 11 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.533 -2.565 18027 6908 1 11 . 1 1 11 11 GLU H H 11 7.700 7.700 7.840 -0.140 18027 6909 1 11 . 1 1 12 12 PHE N N 12 117.277 117.277 120.713 -3.436 18027 6910 1 11 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.396 0.081 18027 6911 1 11 . 1 1 12 12 PHE CA C 12 59.655 59.655 61.865 -2.210 18027 6912 1 11 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.500 -3.965 18027 6913 1 11 . 1 1 12 12 PHE H H 12 8.211 8.211 7.543 0.668 18027 6914 1 11 . 1 1 13 13 LYS N N 13 122.928 122.928 118.907 4.021 18027 6915 1 11 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.997 -0.072 18027 6916 1 11 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.418 -2.264 18027 6917 1 11 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.212 -6.043 18027 6918 1 11 . 1 1 13 13 LYS H H 13 8.925 8.925 7.709 1.216 18027 6919 1 11 . 1 1 14 14 GLU N N 14 119.706 119.706 117.637 2.069 18027 6920 1 11 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.186 -0.328 18027 6921 1 11 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.905 -2.569 18027 6922 1 11 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.941 -3.658 18027 6923 1 11 . 1 1 14 14 GLU H H 14 7.824 7.824 7.802 0.022 18027 6924 1 11 . 1 1 15 15 ALA N N 15 123.880 123.880 122.553 1.327 18027 6925 1 11 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.274 -0.407 18027 6926 1 11 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.323 -1.488 18027 6927 1 11 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.359 -3.156 18027 6928 1 11 . 1 1 15 15 ALA H H 15 8.124 8.124 8.071 0.053 18027 6929 1 11 . 1 1 16 16 PHE N N 16 118.972 118.972 118.773 0.199 18027 6930 1 11 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.179 -1.047 18027 6931 1 11 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.538 -0.555 18027 6932 1 11 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.464 -3.015 18027 6933 1 11 . 1 1 16 16 PHE H H 16 8.446 8.446 8.079 0.367 18027 6934 1 11 . 1 1 17 17 SER N N 17 114.737 114.737 114.331 0.406 18027 6935 1 11 . 1 1 17 17 SER HA H 17 3.902 3.902 4.317 -0.415 18027 6936 1 11 . 1 1 17 17 SER CA C 17 58.999 58.999 60.601 -1.602 18027 6937 1 11 . 1 1 17 17 SER CB C 17 60.436 60.436 62.985 -2.549 18027 6938 1 11 . 1 1 17 17 SER H H 17 7.874 7.874 7.750 0.124 18027 6939 1 11 . 1 1 18 18 LEU N N 18 120.225 120.225 120.912 -0.687 18027 6940 1 11 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.026 -0.241 18027 6941 1 11 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.223 -2.494 18027 6942 1 11 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.072 -3.910 18027 6943 1 11 . 1 1 18 18 LEU H H 18 7.183 7.183 7.245 -0.062 18027 6944 1 11 . 1 1 19 19 PHE N N 19 112.357 112.357 112.869 -0.512 18027 6945 1 11 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.484 -2.060 18027 6946 1 11 . 1 1 19 19 PHE H H 19 6.977 6.977 7.360 -0.383 18027 6947 1 11 . 1 1 20 20 ASP N N 20 117.274 117.274 120.125 -2.851 18027 6948 1 11 . 1 1 20 20 ASP HA H 20 4.432 4.432 5.012 -0.580 18027 6949 1 11 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.733 -3.221 18027 6950 1 11 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.521 -3.844 18027 6951 1 11 . 1 1 20 20 ASP H H 20 7.446 7.446 7.504 -0.058 18027 6952 1 11 . 1 1 21 21 LYS N N 21 124.296 124.296 121.311 2.985 18027 6953 1 11 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.172 -0.334 18027 6954 1 11 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.667 -1.988 18027 6955 1 11 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.346 -2.751 18027 6956 1 11 . 1 1 21 21 LYS H H 21 7.520 7.520 8.046 -0.526 18027 6957 1 11 . 1 1 22 22 ASP N N 22 113.761 113.761 118.369 -4.608 18027 6958 1 11 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.684 -0.250 18027 6959 1 11 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.468 -4.407 18027 6960 1 11 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.761 -5.198 18027 6961 1 11 . 1 1 22 22 ASP H H 22 7.819 7.819 8.087 -0.268 18027 6962 1 11 . 1 1 23 23 GLY N N 23 108.838 108.838 107.987 0.851 18027 6963 1 11 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.653 -1.348 18027 6964 1 11 . 1 1 23 23 GLY H H 23 7.497 7.497 8.292 -0.795 18027 6965 1 11 . 1 1 24 24 ASP N N 24 120.790 120.790 120.520 0.270 18027 6966 1 11 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.744 -0.394 18027 6967 1 11 . 1 1 24 24 ASP CA C 24 50.853 50.853 53.973 -3.120 18027 6968 1 11 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.586 -4.223 18027 6969 1 11 . 1 1 24 24 ASP H H 24 8.312 8.312 8.235 0.077 18027 6970 1 11 . 1 1 25 25 GLY N N 25 112.499 112.499 109.441 3.058 18027 6971 1 11 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.145 -2.724 18027 6972 1 11 . 1 1 25 25 GLY H H 25 10.352 10.352 8.370 1.982 18027 6973 1 11 . 1 1 26 26 THR N N 26 111.781 111.781 112.148 -0.367 18027 6974 1 11 . 1 1 26 26 THR HA H 26 5.316 5.316 5.670 -0.354 18027 6975 1 11 . 1 1 26 26 THR CA C 26 56.878 56.878 60.700 -3.821 18027 6976 1 11 . 1 1 26 26 THR CB C 26 70.031 70.031 72.535 -2.504 18027 6977 1 11 . 1 1 26 26 THR H H 26 8.018 8.018 8.895 -0.877 18027 6978 1 11 . 1 1 27 27 ILE N N 27 126.162 126.162 124.406 1.756 18027 6979 1 11 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.489 0.169 18027 6980 1 11 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.281 -1.804 18027 6981 1 11 . 1 1 27 27 ILE CB C 27 37.572 37.572 38.624 -1.052 18027 6982 1 11 . 1 1 27 27 ILE H H 27 9.769 9.769 8.633 1.136 18027 6983 1 11 . 1 1 28 28 THR N N 28 116.311 116.311 122.950 -6.639 18027 6984 1 11 . 1 1 28 28 THR HA H 28 4.669 4.669 5.029 -0.360 18027 6985 1 11 . 1 1 28 28 THR CA C 28 56.878 56.878 62.662 -5.784 18027 6986 1 11 . 1 1 28 28 THR CB C 28 69.688 69.688 70.097 -0.409 18027 6987 1 11 . 1 1 28 28 THR H H 28 8.302 8.302 8.220 0.082 18027 6988 1 11 . 1 1 29 29 THR N N 29 112.465 112.465 115.901 -3.436 18027 6989 1 11 . 1 1 29 29 THR HA H 29 3.633 3.633 3.963 -0.330 18027 6990 1 11 . 1 1 29 29 THR CA C 29 63.820 63.820 66.492 -2.672 18027 6991 1 11 . 1 1 29 29 THR CB C 29 65.160 65.160 68.474 -3.314 18027 6992 1 11 . 1 1 29 29 THR H H 29 9.078 9.078 8.821 0.257 18027 6993 1 11 . 1 1 30 30 LYS N N 30 120.792 120.792 120.970 -0.178 18027 6994 1 11 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.143 -0.188 18027 6995 1 11 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.368 -2.799 18027 6996 1 11 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.397 -1.802 18027 6997 1 11 . 1 1 30 30 LYS H H 30 7.467 7.467 8.528 -1.061 18027 6998 1 11 . 1 1 31 31 GLU N N 31 121.359 121.359 119.842 1.517 18027 6999 1 11 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.156 -0.250 18027 7000 1 11 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.759 -2.082 18027 7001 1 11 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.352 -2.270 18027 7002 1 11 . 1 1 31 31 GLU H H 31 7.574 7.574 8.061 -0.487 18027 7003 1 11 . 1 1 32 32 LEU N N 32 120.087 120.087 121.225 -1.138 18027 7004 1 11 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.263 -0.206 18027 7005 1 11 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.773 -2.200 18027 7006 1 11 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.116 -2.264 18027 7007 1 11 . 1 1 32 32 LEU H H 32 8.712 8.712 8.145 0.567 18027 7008 1 11 . 1 1 33 33 GLY N N 33 105.634 105.634 104.956 0.678 18027 7009 1 11 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.166 -1.529 18027 7010 1 11 . 1 1 33 33 GLY H H 33 8.696 8.696 7.781 0.915 18027 7011 1 11 . 1 1 34 34 THR N N 34 117.265 117.265 118.633 -1.368 18027 7012 1 11 . 1 1 34 34 THR HA H 34 3.810 3.810 3.923 -0.113 18027 7013 1 11 . 1 1 34 34 THR CA C 34 64.259 64.259 66.017 -1.758 18027 7014 1 11 . 1 1 34 34 THR CB C 34 66.033 66.033 68.746 -2.713 18027 7015 1 11 . 1 1 34 34 THR H H 34 7.785 7.785 7.527 0.258 18027 7016 1 11 . 1 1 35 35 VAL N N 35 121.498 121.498 120.273 1.225 18027 7017 1 11 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.832 -0.431 18027 7018 1 11 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.348 -1.040 18027 7019 1 11 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.819 -3.023 18027 7020 1 11 . 1 1 35 35 VAL H H 35 7.268 7.268 7.431 -0.163 18027 7021 1 11 . 1 1 36 36 MET N N 36 117.302 117.302 119.630 -2.328 18027 7022 1 11 . 1 1 36 36 MET HA H 36 3.842 3.842 4.220 -0.378 18027 7023 1 11 . 1 1 36 36 MET CA C 36 56.606 56.606 56.562 0.044 18027 7024 1 11 . 1 1 36 36 MET CB C 36 28.453 28.453 31.753 -3.300 18027 7025 1 11 . 1 1 36 36 MET H H 36 8.487 8.487 8.003 0.484 18027 7026 1 11 . 1 1 37 37 ARG N N 37 118.262 118.262 118.078 0.184 18027 7027 1 11 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.451 0.206 18027 7028 1 11 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.500 -2.020 18027 7029 1 11 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.364 -3.624 18027 7030 1 11 . 1 1 37 37 ARG H H 37 8.330 8.330 7.834 0.496 18027 7031 1 11 . 1 1 38 38 SER N N 38 117.873 117.873 114.061 3.812 18027 7032 1 11 . 1 1 38 38 SER H H 38 7.815 7.815 7.533 0.282 18027 7033 1 11 . 1 1 39 39 LEU N N 39 117.970 117.970 119.528 -1.558 18027 7034 1 11 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.394 -0.322 18027 7035 1 11 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.407 -3.969 18027 7036 1 11 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.120 -3.958 18027 7037 1 11 . 1 1 39 39 LEU H H 39 7.326 7.326 7.883 -0.557 18027 7038 1 11 . 1 1 40 40 GLY N N 40 106.755 106.755 104.653 2.102 18027 7039 1 11 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.613 -1.949 18027 7040 1 11 . 1 1 40 40 GLY H H 40 7.636 7.636 7.667 -0.031 18027 7041 1 11 . 1 1 41 41 GLN N N 41 118.316 118.316 119.522 -1.206 18027 7042 1 11 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.586 -0.301 18027 7043 1 11 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.267 -3.413 18027 7044 1 11 . 1 1 41 41 GLN CB C 41 27.311 27.311 32.047 -4.736 18027 7045 1 11 . 1 1 41 41 GLN H H 41 7.827 7.827 7.684 0.143 18027 7046 1 11 . 1 1 42 42 ASN N N 42 115.866 115.866 121.765 -5.899 18027 7047 1 11 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.136 -0.123 18027 7048 1 11 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.480 -2.918 18027 7049 1 11 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.426 -3.108 18027 7050 1 11 . 1 1 42 42 ASN H H 42 8.557 8.557 8.625 -0.068 18027 7051 1 11 . 1 1 44 44 THR N N 44 113.035 113.035 114.821 -1.786 18027 7052 1 11 . 1 1 44 44 THR HA H 44 4.296 4.296 4.564 -0.268 18027 7053 1 11 . 1 1 44 44 THR CA C 44 57.922 57.922 60.582 -2.660 18027 7054 1 11 . 1 1 44 44 THR CB C 44 68.317 68.317 70.775 -2.458 18027 7055 1 11 . 1 1 44 44 THR H H 44 8.694 8.694 8.144 0.550 18027 7056 1 11 . 1 1 45 45 GLU N N 45 120.283 120.283 121.105 -0.822 18027 7057 1 11 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.107 -0.211 18027 7058 1 11 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.243 -1.887 18027 7059 1 11 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.391 -3.675 18027 7060 1 11 . 1 1 45 45 GLU H H 45 8.687 8.687 8.826 -0.139 18027 7061 1 11 . 1 1 46 46 ALA N N 46 120.685 120.685 121.842 -1.157 18027 7062 1 11 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.254 -0.384 18027 7063 1 11 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.484 -2.168 18027 7064 1 11 . 1 1 46 46 ALA CB C 46 15.089 15.089 17.982 -2.893 18027 7065 1 11 . 1 1 46 46 ALA H H 46 8.153 8.153 8.150 0.003 18027 7066 1 11 . 1 1 47 47 GLU N N 47 118.546 118.546 117.497 1.049 18027 7067 1 11 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.179 -0.320 18027 7068 1 11 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.477 -1.968 18027 7069 1 11 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.482 -2.742 18027 7070 1 11 . 1 1 47 47 GLU H H 47 7.554 7.554 8.474 -0.920 18027 7071 1 11 . 1 1 48 48 LEU N N 48 120.085 120.085 119.503 0.582 18027 7072 1 11 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.055 -0.115 18027 7073 1 11 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.667 -2.299 18027 7074 1 11 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.841 -2.422 18027 7075 1 11 . 1 1 48 48 LEU H H 48 8.247 8.247 7.428 0.819 18027 7076 1 11 . 1 1 49 49 GLN N N 49 118.119 118.119 117.246 0.873 18027 7077 1 11 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.002 -0.089 18027 7078 1 11 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.989 -2.286 18027 7079 1 11 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.293 -1.896 18027 7080 1 11 . 1 1 49 49 GLN H H 49 7.891 7.891 7.905 -0.014 18027 7081 1 11 . 1 1 50 50 ASP N N 50 119.263 119.263 120.710 -1.447 18027 7082 1 11 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.447 -0.268 18027 7083 1 11 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.856 -1.980 18027 7084 1 11 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.912 -3.664 18027 7085 1 11 . 1 1 50 50 ASP H H 50 7.803 7.803 7.802 0.001 18027 7086 1 11 . 1 1 51 51 MET N N 51 120.178 120.178 117.353 2.825 18027 7087 1 11 . 1 1 51 51 MET HA H 51 3.966 3.966 4.292 -0.326 18027 7088 1 11 . 1 1 51 51 MET CA C 51 57.074 57.074 57.172 -0.098 18027 7089 1 11 . 1 1 51 51 MET CB C 51 29.975 29.975 32.839 -2.864 18027 7090 1 11 . 1 1 51 51 MET H H 51 7.831 7.831 7.492 0.339 18027 7091 1 11 . 1 1 52 52 ILE N N 52 116.856 116.856 120.514 -3.658 18027 7092 1 11 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.634 -0.286 18027 7093 1 11 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.564 -2.889 18027 7094 1 11 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.385 -3.563 18027 7095 1 11 . 1 1 52 52 ILE H H 52 7.703 7.703 7.646 0.057 18027 7096 1 11 . 1 1 53 53 ASN N N 53 117.417 117.417 114.447 2.970 18027 7097 1 11 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.468 -0.215 18027 7098 1 11 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.644 -2.603 18027 7099 1 11 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.252 -3.174 18027 7100 1 11 . 1 1 53 53 ASN H H 53 8.187 8.187 7.830 0.357 18027 7101 1 11 . 1 1 54 54 GLU N N 54 116.996 116.996 118.988 -1.992 18027 7102 1 11 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.247 -0.388 18027 7103 1 11 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.595 -2.721 18027 7104 1 11 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.611 -4.214 18027 7105 1 11 . 1 1 54 54 GLU H H 54 7.391 7.391 7.445 -0.054 18027 7106 1 11 . 1 1 55 55 VAL N N 55 114.596 114.596 116.763 -2.167 18027 7107 1 11 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.070 -0.083 18027 7108 1 11 . 1 1 55 55 VAL CA C 55 58.945 58.945 63.127 -4.183 18027 7109 1 11 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.918 -2.180 18027 7110 1 11 . 1 1 55 55 VAL H H 55 7.151 7.151 7.510 -0.359 18027 7111 1 11 . 1 1 56 56 ASP N N 56 119.670 119.670 122.428 -2.758 18027 7112 1 11 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.435 -0.118 18027 7113 1 11 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.381 -4.025 18027 7114 1 11 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.393 -3.802 18027 7115 1 11 . 1 1 56 56 ASP H H 56 7.913 7.913 8.260 -0.347 18027 7116 1 11 . 1 1 57 57 ALA N N 57 131.491 131.491 129.307 2.184 18027 7117 1 11 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.192 -0.091 18027 7118 1 11 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.743 -2.560 18027 7119 1 11 . 1 1 57 57 ALA H H 57 8.126 8.126 8.719 -0.593 18027 7120 1 11 . 1 1 58 58 ASP N N 58 114.255 114.255 117.279 -3.024 18027 7121 1 11 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.647 -0.213 18027 7122 1 11 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.964 -5.004 18027 7123 1 11 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.898 -5.335 18027 7124 1 11 . 1 1 58 58 ASP H H 58 8.130 8.130 8.136 -0.006 18027 7125 1 11 . 1 1 59 59 GLY N N 59 108.987 108.987 108.474 0.513 18027 7126 1 11 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.317 -1.021 18027 7127 1 11 . 1 1 59 59 GLY H H 59 7.504 7.504 8.717 -1.213 18027 7128 1 11 . 1 1 60 60 ASN N N 60 118.770 118.770 118.959 -0.189 18027 7129 1 11 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.792 -0.363 18027 7130 1 11 . 1 1 60 60 ASN CA C 60 49.859 49.859 53.122 -3.263 18027 7131 1 11 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.547 -6.040 18027 7132 1 11 . 1 1 60 60 ASN H H 60 8.095 8.095 8.448 -0.353 18027 7133 1 11 . 1 1 61 61 GLY N N 61 112.773 112.773 110.110 2.663 18027 7134 1 11 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.409 -2.697 18027 7135 1 11 . 1 1 61 61 GLY H H 61 10.280 10.280 8.719 1.561 18027 7136 1 11 . 1 1 62 62 THR N N 62 108.117 108.117 111.440 -3.323 18027 7137 1 11 . 1 1 62 62 THR HA H 62 4.672 4.672 5.038 -0.366 18027 7138 1 11 . 1 1 62 62 THR CA C 62 56.878 56.878 60.123 -3.244 18027 7139 1 11 . 1 1 62 62 THR CB C 62 69.688 69.688 71.557 -1.869 18027 7140 1 11 . 1 1 62 62 THR H H 62 7.475 7.475 7.888 -0.413 18027 7141 1 11 . 1 1 63 63 ILE N N 63 122.642 122.642 123.455 -0.813 18027 7142 1 11 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.374 0.422 18027 7143 1 11 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.506 -2.694 18027 7144 1 11 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.008 -3.645 18027 7145 1 11 . 1 1 63 63 ILE H H 63 8.449 8.449 8.214 0.235 18027 7146 1 11 . 1 1 64 64 ASP N N 64 128.633 128.633 127.011 1.622 18027 7147 1 11 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.286 0.030 18027 7148 1 11 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.063 -3.783 18027 7149 1 11 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.466 -3.705 18027 7150 1 11 . 1 1 64 64 ASP H H 64 9.011 9.011 8.689 0.322 18027 7151 1 11 . 1 1 65 65 PHE N N 65 118.892 118.892 116.014 2.878 18027 7152 1 11 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.336 -0.569 18027 7153 1 11 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.574 -0.361 18027 7154 1 11 . 1 1 65 65 PHE H H 65 8.766 8.766 8.203 0.563 18027 7155 1 11 . 1 1 67 67 GLU N N 67 118.675 118.675 116.922 1.753 18027 7156 1 11 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.348 -0.511 18027 7157 1 11 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.266 -0.661 18027 7158 1 11 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.371 -1.974 18027 7159 1 11 . 1 1 67 67 GLU H H 67 7.487 7.487 8.813 -1.326 18027 7160 1 11 . 1 1 68 68 PHE N N 68 123.182 123.182 120.153 3.029 18027 7161 1 11 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.427 -0.759 18027 7162 1 11 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.313 -2.884 18027 7163 1 11 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.816 -2.225 18027 7164 1 11 . 1 1 68 68 PHE H H 68 8.066 8.066 7.711 0.355 18027 7165 1 11 . 1 1 69 69 LEU N N 69 119.530 119.530 118.350 1.180 18027 7166 1 11 . 1 1 69 69 LEU HA H 69 3.955 3.955 3.869 0.086 18027 7167 1 11 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.483 -1.710 18027 7168 1 11 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.656 -2.237 18027 7169 1 11 . 1 1 69 69 LEU H H 69 8.672 8.672 7.756 0.916 18027 7170 1 11 . 1 1 70 70 THR N N 70 113.765 113.765 114.730 -0.965 18027 7171 1 11 . 1 1 70 70 THR HA H 70 3.806 3.806 3.961 -0.155 18027 7172 1 11 . 1 1 70 70 THR CA C 70 63.861 63.861 65.933 -2.072 18027 7173 1 11 . 1 1 70 70 THR CB C 70 66.147 66.147 68.647 -2.500 18027 7174 1 11 . 1 1 70 70 THR H H 70 7.909 7.909 7.678 0.231 18027 7175 1 11 . 1 1 71 71 MET N N 71 119.518 119.518 120.305 -0.787 18027 7176 1 11 . 1 1 71 71 MET HA H 71 3.881 3.881 4.303 -0.422 18027 7177 1 11 . 1 1 71 71 MET CA C 71 56.106 56.106 56.997 -0.891 18027 7178 1 11 . 1 1 71 71 MET CB C 71 29.595 29.595 32.580 -2.985 18027 7179 1 11 . 1 1 71 71 MET H H 71 7.120 7.120 7.530 -0.410 18027 7180 1 11 . 1 1 72 72 MET N N 72 116.280 116.280 119.366 -3.086 18027 7181 1 11 . 1 1 72 72 MET HA H 72 3.817 3.817 4.306 -0.489 18027 7182 1 11 . 1 1 72 72 MET CA C 72 55.111 55.111 58.083 -2.971 18027 7183 1 11 . 1 1 72 72 MET CB C 72 27.892 27.892 32.101 -4.209 18027 7184 1 11 . 1 1 72 72 MET H H 72 7.737 7.737 7.376 0.361 18027 7185 1 11 . 1 1 73 73 ALA N N 73 119.984 119.984 118.842 1.142 18027 7186 1 11 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.103 -0.265 18027 7187 1 11 . 1 1 73 73 ALA CA C 73 51.812 51.812 54.139 -2.327 18027 7188 1 11 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.270 -3.067 18027 7189 1 11 . 1 1 73 73 ALA H H 73 8.322 8.322 8.155 0.167 18027 7190 1 11 . 1 1 74 74 ARG N N 74 116.354 116.354 118.951 -2.597 18027 7191 1 11 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.077 -0.239 18027 7192 1 11 . 1 1 74 74 ARG CA C 74 55.957 55.957 59.231 -3.274 18027 7193 1 11 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.421 -5.166 18027 7194 1 11 . 1 1 74 74 ARG H H 74 7.264 7.264 8.222 -0.958 18027 7195 1 11 . 1 1 75 75 LYS N N 75 120.084 120.084 118.611 1.473 18027 7196 1 11 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.418 -0.470 18027 7197 1 11 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.786 -2.927 18027 7198 1 11 . 1 1 75 75 LYS CB C 75 28.681 28.681 31.630 -2.949 18027 7199 1 11 . 1 1 75 75 LYS H H 75 7.756 7.756 7.493 0.263 18027 7200 1 11 . 1 1 76 76 MET N N 76 117.139 117.139 118.674 -1.535 18027 7201 1 11 . 1 1 76 76 MET HA H 76 4.168 4.168 4.365 -0.197 18027 7202 1 11 . 1 1 76 76 MET CA C 76 54.704 54.704 56.640 -1.936 18027 7203 1 11 . 1 1 76 76 MET CB C 76 30.052 30.052 32.565 -2.513 18027 7204 1 11 . 1 1 76 76 MET H H 76 7.985 7.985 7.543 0.442 18027 7205 1 11 . 1 1 77 77 LYS N N 77 116.614 116.614 117.877 -1.263 18027 7206 1 11 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.460 -0.239 18027 7207 1 11 . 1 1 77 77 LYS CA C 77 53.184 53.184 55.547 -2.363 18027 7208 1 11 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.308 -6.025 18027 7209 1 11 . 1 1 77 77 LYS H H 77 7.275 7.275 7.314 -0.039 18027 7210 1 11 . 1 1 78 78 ASP N N 78 123.187 123.187 121.216 1.971 18027 7211 1 11 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.730 -0.279 18027 7212 1 11 . 1 1 78 78 ASP CA C 78 51.732 51.732 53.984 -2.252 18027 7213 1 11 . 1 1 78 78 ASP CB C 78 38.391 38.391 40.835 -2.444 18027 7214 1 11 . 1 1 78 78 ASP H H 78 8.181 8.181 7.609 0.572 18027 7215 1 11 . 1 1 79 79 THR N N 79 114.325 114.325 112.075 2.250 18027 7216 1 11 . 1 1 79 79 THR HA H 79 4.034 4.034 4.032 0.002 18027 7217 1 11 . 1 1 79 79 THR CA C 79 61.322 61.322 63.287 -1.965 18027 7218 1 11 . 1 1 79 79 THR CB C 79 66.147 66.147 68.090 -1.943 18027 7219 1 11 . 1 1 79 79 THR H H 79 8.377 8.377 8.181 0.196 18027 7220 1 11 . 1 1 80 80 ASP N N 80 120.844 120.844 121.971 -1.127 18027 7221 1 11 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.416 -0.111 18027 7222 1 11 . 1 1 80 80 ASP CA C 80 51.672 51.672 55.323 -3.651 18027 7223 1 11 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.668 -3.077 18027 7224 1 11 . 1 1 80 80 ASP H H 80 8.223 8.223 8.866 -0.643 18027 7225 1 11 . 1 1 81 81 SER N N 81 115.729 115.729 110.987 4.742 18027 7226 1 11 . 1 1 81 81 SER HA H 81 3.911 3.911 4.003 -0.092 18027 7227 1 11 . 1 1 81 81 SER CA C 81 57.939 57.939 60.230 -2.291 18027 7228 1 11 . 1 1 81 81 SER CB C 81 60.664 60.664 62.904 -2.240 18027 7229 1 11 . 1 1 81 81 SER H H 81 7.785 7.785 8.374 -0.589 18027 7230 1 11 . 1 1 82 82 GLU N N 82 121.960 121.960 120.169 1.791 18027 7231 1 11 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.073 -0.177 18027 7232 1 11 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.886 -2.057 18027 7233 1 11 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.574 -2.949 18027 7234 1 11 . 1 1 82 82 GLU H H 82 8.208 8.208 8.422 -0.214 18027 7235 1 11 . 1 1 83 83 GLU N N 83 118.040 118.040 116.940 1.100 18027 7236 1 11 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.084 -0.246 18027 7237 1 11 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.648 -2.703 18027 7238 1 11 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.155 -2.323 18027 7239 1 11 . 1 1 83 83 GLU H H 83 7.898 7.898 8.655 -0.757 18027 7240 1 11 . 1 1 84 84 GLU N N 84 118.825 118.825 119.686 -0.861 18027 7241 1 11 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.655 -3.897 18027 7242 1 11 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.772 1.080 18027 7243 1 11 . 1 1 84 84 GLU H H 84 8.154 8.154 7.452 0.702 18027 7244 1 11 . 1 1 85 85 ILE N N 85 119.310 119.310 120.244 -0.934 18027 7245 1 11 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.901 -0.134 18027 7246 1 11 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.391 -4.533 18027 7247 1 11 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.897 -2.248 18027 7248 1 11 . 1 1 85 85 ILE H H 85 7.793 7.793 7.431 0.362 18027 7249 1 11 . 1 1 86 86 ARG N N 86 120.640 120.640 119.442 1.198 18027 7250 1 11 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.925 0.000 18027 7251 1 11 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.349 -2.084 18027 7252 1 11 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.235 -2.381 18027 7253 1 11 . 1 1 86 86 ARG H H 86 8.177 8.177 7.947 0.230 18027 7254 1 11 . 1 1 87 87 GLU N N 87 119.448 119.448 119.201 0.247 18027 7255 1 11 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.209 -0.357 18027 7256 1 11 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.213 -1.570 18027 7257 1 11 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.734 -3.680 18027 7258 1 11 . 1 1 87 87 GLU H H 87 7.828 7.828 7.865 -0.037 18027 7259 1 11 . 1 1 88 88 ALA N N 88 122.592 122.592 122.384 0.208 18027 7260 1 11 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.298 -0.270 18027 7261 1 11 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.724 -2.128 18027 7262 1 11 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.701 -4.069 18027 7263 1 11 . 1 1 88 88 ALA H H 88 8.283 8.283 7.818 0.465 18027 7264 1 11 . 1 1 89 89 PHE N N 89 119.245 119.245 119.378 -0.133 18027 7265 1 11 . 1 1 89 89 PHE HA H 89 3.114 3.114 3.978 -0.864 18027 7266 1 11 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.034 -1.489 18027 7267 1 11 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.563 -3.228 18027 7268 1 11 . 1 1 89 89 PHE H H 89 8.423 8.423 8.504 -0.081 18027 7269 1 11 . 1 1 90 90 ARG N N 90 117.455 117.455 118.573 -1.118 18027 7270 1 11 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.310 -0.461 18027 7271 1 11 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.254 -1.940 18027 7272 1 11 . 1 1 90 90 ARG CB C 90 27.197 27.197 28.964 -1.767 18027 7273 1 11 . 1 1 90 90 ARG H H 90 7.840 7.840 7.731 0.108 18027 7274 1 11 . 1 1 91 91 VAL N N 91 118.698 118.698 118.536 0.162 18027 7275 1 11 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.785 -0.533 18027 7276 1 11 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.606 -1.274 18027 7277 1 11 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.201 -3.091 18027 7278 1 11 . 1 1 91 91 VAL H H 91 7.262 7.262 7.323 -0.061 18027 7279 1 11 . 1 1 92 92 PHE N N 92 112.495 112.495 117.695 -5.200 18027 7280 1 11 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.253 -0.319 18027 7281 1 11 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.567 -3.386 18027 7282 1 11 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.690 -0.271 18027 7283 1 11 . 1 1 92 92 PHE H H 92 6.693 6.693 7.323 -0.630 18027 7284 1 11 . 1 1 93 93 ASP N N 93 117.214 117.214 118.430 -1.216 18027 7285 1 11 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.610 -0.176 18027 7286 1 11 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.391 -2.610 18027 7287 1 11 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.075 -2.626 18027 7288 1 11 . 1 1 93 93 ASP H H 93 7.954 7.954 7.924 0.030 18027 7289 1 11 . 1 1 94 94 LYS N N 94 125.565 125.565 124.003 1.562 18027 7290 1 11 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.263 -0.484 18027 7291 1 11 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.630 -2.950 18027 7292 1 11 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.546 -2.951 18027 7293 1 11 . 1 1 94 94 LYS H H 94 7.671 7.671 8.016 -0.345 18027 7294 1 11 . 1 1 95 95 ASP N N 95 114.041 114.041 116.415 -2.374 18027 7295 1 11 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.769 -0.361 18027 7296 1 11 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.855 -3.642 18027 7297 1 11 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.062 -4.499 18027 7298 1 11 . 1 1 95 95 ASP H H 95 7.944 7.944 7.891 0.053 18027 7299 1 11 . 1 1 96 96 GLY N N 96 108.849 108.849 108.121 0.728 18027 7300 1 11 . 1 1 96 96 GLY CA C 96 44.199 44.199 46.035 -1.836 18027 7301 1 11 . 1 1 96 96 GLY H H 96 7.529 7.529 7.564 -0.035 18027 7302 1 11 . 1 1 97 97 ASN N N 97 119.410 119.410 119.628 -0.218 18027 7303 1 11 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.669 -0.245 18027 7304 1 11 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.312 -3.629 18027 7305 1 11 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.679 -2.116 18027 7306 1 11 . 1 1 97 97 ASN H H 97 8.234 8.234 8.370 -0.136 18027 7307 1 11 . 1 1 98 98 GLY N N 98 112.073 112.073 106.284 5.789 18027 7308 1 11 . 1 1 98 98 GLY CA C 98 42.176 42.176 46.083 -3.907 18027 7309 1 11 . 1 1 98 98 GLY H H 98 10.298 10.298 8.243 2.055 18027 7310 1 11 . 1 1 99 99 TYR N N 99 116.011 116.011 118.265 -2.254 18027 7311 1 11 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.003 -0.185 18027 7312 1 11 . 1 1 99 99 TYR CA C 99 53.681 53.681 56.843 -3.162 18027 7313 1 11 . 1 1 99 99 TYR CB C 99 39.875 39.875 42.427 -2.552 18027 7314 1 11 . 1 1 99 99 TYR H H 99 7.497 7.497 7.696 -0.199 18027 7315 1 11 . 1 1 100 100 ILE N N 100 126.793 126.793 122.118 4.675 18027 7316 1 11 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.166 0.257 18027 7317 1 11 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.874 -2.245 18027 7318 1 11 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.762 -3.014 18027 7319 1 11 . 1 1 100 100 ILE H H 100 9.833 9.833 8.525 1.308 18027 7320 1 11 . 1 1 101 101 SER N N 101 123.825 123.825 123.685 0.140 18027 7321 1 11 . 1 1 101 101 SER HA H 101 4.657 4.657 4.620 0.037 18027 7322 1 11 . 1 1 101 101 SER CA C 101 53.060 53.060 58.127 -5.067 18027 7323 1 11 . 1 1 101 101 SER CB C 101 64.091 64.091 64.308 -0.217 18027 7324 1 11 . 1 1 101 101 SER H H 101 8.870 8.870 8.685 0.185 18027 7325 1 11 . 1 1 102 102 ALA N N 102 122.909 122.909 126.644 -3.735 18027 7326 1 11 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.072 -0.308 18027 7327 1 11 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.017 -1.967 18027 7328 1 11 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.556 -3.581 18027 7329 1 11 . 1 1 102 102 ALA H H 102 9.209 9.209 9.016 0.193 18027 7330 1 11 . 1 1 103 103 ALA N N 103 118.692 118.692 120.809 -2.117 18027 7331 1 11 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.164 -0.290 18027 7332 1 11 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.960 -2.475 18027 7333 1 11 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.463 -3.260 18027 7334 1 11 . 1 1 103 103 ALA H H 103 8.146 8.146 8.318 -0.172 18027 7335 1 11 . 1 1 104 104 GLU N N 104 120.098 120.098 119.035 1.063 18027 7336 1 11 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.297 -0.434 18027 7337 1 11 . 1 1 104 104 GLU CA C 104 56.575 56.575 59.051 -2.476 18027 7338 1 11 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.563 -4.194 18027 7339 1 11 . 1 1 104 104 GLU H H 104 7.832 7.832 8.120 -0.288 18027 7340 1 11 . 1 1 105 105 LEU N N 105 121.466 121.466 120.524 0.942 18027 7341 1 11 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.055 0.061 18027 7342 1 11 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.928 -2.232 18027 7343 1 11 . 1 1 105 105 LEU CB C 105 38.962 38.962 42.016 -3.054 18027 7344 1 11 . 1 1 105 105 LEU H H 105 8.300 8.300 7.649 0.651 18027 7345 1 11 . 1 1 106 106 ARG N N 106 118.978 118.978 118.515 0.463 18027 7346 1 11 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.929 -0.077 18027 7347 1 11 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.037 -1.603 18027 7348 1 11 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.869 -2.785 18027 7349 1 11 . 1 1 106 106 ARG H H 106 8.882 8.882 7.704 1.178 18027 7350 1 11 . 1 1 107 107 HIS N N 107 118.543 118.543 118.334 0.209 18027 7351 1 11 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.291 -0.091 18027 7352 1 11 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.845 -3.020 18027 7353 1 11 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.504 -2.764 18027 7354 1 11 . 1 1 107 107 HIS H H 107 7.991 7.991 7.614 0.377 18027 7355 1 11 . 1 1 108 108 VAL N N 108 118.687 118.687 118.708 -0.021 18027 7356 1 11 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.735 -0.643 18027 7357 1 11 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.265 -2.055 18027 7358 1 11 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.558 -2.648 18027 7359 1 11 . 1 1 108 108 VAL H H 108 7.425 7.425 7.622 -0.197 18027 7360 1 11 . 1 1 109 109 MET N N 109 115.725 115.725 117.275 -1.550 18027 7361 1 11 . 1 1 109 109 MET HA H 109 3.944 3.944 4.363 -0.419 18027 7362 1 11 . 1 1 109 109 MET CA C 109 55.212 55.212 57.395 -2.183 18027 7363 1 11 . 1 1 109 109 MET CB C 109 27.425 27.425 31.872 -4.447 18027 7364 1 11 . 1 1 109 109 MET H H 109 7.972 7.972 7.411 0.561 18027 7365 1 11 . 1 1 110 110 THR N N 110 116.999 116.999 115.780 1.219 18027 7366 1 11 . 1 1 110 110 THR HA H 110 3.852 3.852 4.585 -0.733 18027 7367 1 11 . 1 1 110 110 THR CA C 110 63.918 63.918 64.877 -0.959 18027 7368 1 11 . 1 1 110 110 THR CB C 110 65.844 65.844 68.539 -2.695 18027 7369 1 11 . 1 1 110 110 THR H H 110 8.691 8.691 8.579 0.112 18027 7370 1 11 . 1 1 111 111 ASN N N 111 123.893 123.893 120.559 3.334 18027 7371 1 11 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.627 -0.386 18027 7372 1 11 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.439 -2.490 18027 7373 1 11 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.606 -3.642 18027 7374 1 11 . 1 1 111 111 ASN H H 111 7.911 7.911 8.019 -0.108 18027 7375 1 11 . 1 1 112 112 LEU N N 112 119.244 119.244 119.451 -0.207 18027 7376 1 11 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.294 -0.222 18027 7377 1 11 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.492 -2.591 18027 7378 1 11 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.323 -2.790 18027 7379 1 11 . 1 1 112 112 LEU H H 112 7.618 7.618 7.584 0.034 18027 7380 1 11 . 1 1 113 113 GLY N N 113 107.263 107.263 107.021 0.242 18027 7381 1 11 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.747 -2.310 18027 7382 1 11 . 1 1 113 113 GLY H H 113 7.743 7.743 7.380 0.363 18027 7383 1 11 . 1 1 114 114 GLU N N 114 120.073 120.073 119.076 0.997 18027 7384 1 11 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.619 -0.329 18027 7385 1 11 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.867 -3.341 18027 7386 1 11 . 1 1 114 114 GLU CB C 114 27.539 27.539 33.040 -5.501 18027 7387 1 11 . 1 1 114 114 GLU H H 114 7.857 7.857 7.854 0.003 18027 7388 1 11 . 1 1 115 115 LYS N N 115 124.142 124.142 123.299 0.843 18027 7389 1 11 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.561 -0.341 18027 7390 1 11 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.326 -2.432 18027 7391 1 11 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.237 -3.756 18027 7392 1 11 . 1 1 115 115 LYS H H 115 8.377 8.377 8.464 -0.087 18027 7393 1 11 . 1 1 116 116 LEU N N 116 125.240 125.240 125.585 -0.345 18027 7394 1 11 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.644 -0.172 18027 7395 1 11 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.561 -2.123 18027 7396 1 11 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.934 -4.259 18027 7397 1 11 . 1 1 116 116 LEU H H 116 8.002 8.002 8.439 -0.437 18027 7398 1 11 . 1 1 117 117 THR N N 117 113.520 113.520 112.422 1.098 18027 7399 1 11 . 1 1 117 117 THR CA C 117 57.922 57.922 60.747 -2.825 18027 7400 1 11 . 1 1 117 117 THR CB C 117 68.352 68.352 70.079 -1.727 18027 7401 1 11 . 1 1 117 117 THR H H 117 8.927 8.927 8.364 0.563 18027 7402 1 11 . 1 1 118 118 ASP N N 118 120.859 120.859 120.066 0.793 18027 7403 1 11 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.363 -0.320 18027 7404 1 11 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.288 -2.123 18027 7405 1 11 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.768 -3.994 18027 7406 1 11 . 1 1 118 118 ASP H H 118 8.754 8.754 8.711 0.043 18027 7407 1 11 . 1 1 119 119 GLU N N 119 119.112 119.112 118.473 0.639 18027 7408 1 11 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.026 -0.099 18027 7409 1 11 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.027 -1.837 18027 7410 1 11 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.396 -3.113 18027 7411 1 11 . 1 1 119 119 GLU H H 119 8.507 8.507 8.801 -0.294 18027 7412 1 11 . 1 1 120 120 GLU N N 120 120.059 120.059 118.439 1.620 18027 7413 1 11 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.141 -0.283 18027 7414 1 11 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.633 -2.175 18027 7415 1 11 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.771 -2.254 18027 7416 1 11 . 1 1 120 120 GLU H H 120 7.809 7.809 7.680 0.129 18027 7417 1 11 . 1 1 121 121 VAL N N 121 120.512 120.512 119.289 1.223 18027 7418 1 11 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.753 -0.281 18027 7419 1 11 . 1 1 121 121 VAL CA C 121 64.082 64.082 65.953 -1.871 18027 7420 1 11 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.655 -3.088 18027 7421 1 11 . 1 1 121 121 VAL H H 121 7.898 7.898 7.221 0.677 18027 7422 1 11 . 1 1 122 122 ASP N N 122 119.857 119.857 119.547 0.310 18027 7423 1 11 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.349 -0.181 18027 7424 1 11 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.724 -2.818 18027 7425 1 11 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.835 -3.358 18027 7426 1 11 . 1 1 122 122 ASP H H 122 7.897 7.897 7.689 0.208 18027 7427 1 11 . 1 1 123 123 GLU N N 123 119.630 119.630 118.628 1.002 18027 7428 1 11 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.132 -0.294 18027 7429 1 11 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.685 -1.608 18027 7430 1 11 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.679 -3.510 18027 7431 1 11 . 1 1 123 123 GLU H H 123 7.963 7.963 7.762 0.201 18027 7432 1 11 . 1 1 124 124 MET N N 124 119.144 119.144 116.837 2.307 18027 7433 1 11 . 1 1 124 124 MET HA H 124 3.859 3.859 4.216 -0.357 18027 7434 1 11 . 1 1 124 124 MET CA C 124 56.508 56.508 58.636 -2.128 18027 7435 1 11 . 1 1 124 124 MET CB C 124 29.253 29.253 33.161 -3.908 18027 7436 1 11 . 1 1 124 124 MET H H 124 7.631 7.631 7.374 0.257 18027 7437 1 11 . 1 1 125 125 ILE N N 125 117.557 117.557 120.090 -2.533 18027 7438 1 11 . 1 1 125 125 ILE HA H 125 3.284 3.284 4.039 -0.755 18027 7439 1 11 . 1 1 125 125 ILE CA C 125 61.139 61.139 65.157 -4.018 18027 7440 1 11 . 1 1 125 125 ILE CB C 125 34.050 34.050 38.074 -4.024 18027 7441 1 11 . 1 1 125 125 ILE H H 125 7.669 7.669 7.381 0.288 18027 7442 1 11 . 1 1 126 126 ARG N N 126 118.414 118.414 118.776 -0.362 18027 7443 1 11 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.141 -0.283 18027 7444 1 11 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.605 -1.803 18027 7445 1 11 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.867 -2.442 18027 7446 1 11 . 1 1 126 126 ARG H H 126 7.952 7.952 7.574 0.378 18027 7447 1 11 . 1 1 127 127 GLU N N 127 116.143 116.143 118.083 -1.940 18027 7448 1 11 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.326 -0.468 18027 7449 1 11 . 1 1 127 127 GLU CA C 127 56.215 56.215 57.900 -1.685 18027 7450 1 11 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.110 -2.913 18027 7451 1 11 . 1 1 127 127 GLU H H 127 7.294 7.294 7.778 -0.484 18027 7452 1 11 . 1 1 128 128 ALA N N 128 116.994 116.994 119.213 -2.219 18027 7453 1 11 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.625 -0.172 18027 7454 1 11 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.598 -3.426 18027 7455 1 11 . 1 1 128 128 ALA CB C 128 19.772 19.772 21.081 -1.309 18027 7456 1 11 . 1 1 128 128 ALA H H 128 7.110 7.110 7.306 -0.196 18027 7457 1 11 . 1 1 129 129 ASP N N 129 117.846 117.846 121.382 -3.536 18027 7458 1 11 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.840 -0.398 18027 7459 1 11 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.345 -2.712 18027 7460 1 11 . 1 1 129 129 ASP CB C 129 38.505 38.505 41.117 -2.612 18027 7461 1 11 . 1 1 129 129 ASP H H 129 7.508 7.508 8.419 -0.911 18027 7462 1 11 . 1 1 130 130 ILE N N 130 128.118 128.118 120.756 7.362 18027 7463 1 11 . 1 1 130 130 ILE HA H 130 3.750 3.750 3.976 -0.226 18027 7464 1 11 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.804 -3.221 18027 7465 1 11 . 1 1 130 130 ILE CB C 130 35.763 35.763 37.815 -2.051 18027 7466 1 11 . 1 1 130 130 ILE H H 130 8.168 8.168 8.426 -0.258 18027 7467 1 11 . 1 1 131 131 ASP N N 131 116.572 116.572 119.417 -2.845 18027 7468 1 11 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.553 -0.257 18027 7469 1 11 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.816 -2.694 18027 7470 1 11 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.569 -3.092 18027 7471 1 11 . 1 1 131 131 ASP H H 131 8.136 8.136 7.985 0.151 18027 7472 1 11 . 1 1 132 132 GLY N N 132 108.411 108.411 109.155 -0.744 18027 7473 1 11 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.972 -1.465 18027 7474 1 11 . 1 1 132 132 GLY H H 132 7.460 7.460 8.344 -0.884 18027 7475 1 11 . 1 1 133 133 ASP N N 133 120.424 120.424 120.076 0.348 18027 7476 1 11 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.490 -0.194 18027 7477 1 11 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.759 -2.906 18027 7478 1 11 . 1 1 133 133 ASP H H 133 8.177 8.177 8.126 0.051 18027 7479 1 11 . 1 1 134 134 GLY N N 134 112.396 112.396 106.868 5.528 18027 7480 1 11 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.283 -2.230 18027 7481 1 11 . 1 1 134 134 GLY H H 134 10.043 10.043 7.853 2.190 18027 7482 1 11 . 1 1 135 135 GLN N N 135 115.588 115.588 118.583 -2.995 18027 7483 1 11 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.079 -0.275 18027 7484 1 11 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.752 -3.337 18027 7485 1 11 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.482 -3.201 18027 7486 1 11 . 1 1 135 135 GLN H H 135 7.866 7.866 7.634 0.232 18027 7487 1 11 . 1 1 136 136 VAL N N 136 124.910 124.910 120.401 4.509 18027 7488 1 11 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.481 0.518 18027 7489 1 11 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.398 -1.691 18027 7490 1 11 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.253 -2.173 18027 7491 1 11 . 1 1 136 136 VAL H H 136 8.856 8.856 8.464 0.392 18027 7492 1 11 . 1 1 137 137 ASN N N 137 129.009 129.009 122.746 6.263 18027 7493 1 11 . 1 1 137 137 ASN HA H 137 5.173 5.173 4.823 0.350 18027 7494 1 11 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.678 -3.595 18027 7495 1 11 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.908 -5.274 18027 7496 1 11 . 1 1 137 137 ASN H H 137 9.390 9.390 8.648 0.742 18027 7497 1 11 . 1 1 138 138 TYR N N 138 118.471 118.471 120.611 -2.140 18027 7498 1 11 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.092 0.386 18027 7499 1 11 . 1 1 138 138 TYR CA C 138 59.799 59.799 60.634 -0.835 18027 7500 1 11 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.051 -1.516 18027 7501 1 11 . 1 1 138 138 TYR H H 138 8.075 8.075 8.185 -0.110 18027 7502 1 11 . 1 1 139 139 GLU N N 139 118.535 118.535 118.772 -0.237 18027 7503 1 11 . 1 1 139 139 GLU HA H 139 3.838 3.838 3.964 -0.126 18027 7504 1 11 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.195 -1.663 18027 7505 1 11 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.450 -2.510 18027 7506 1 11 . 1 1 139 139 GLU H H 139 7.925 7.925 7.950 -0.025 18027 7507 1 11 . 1 1 140 140 GLU N N 140 119.583 119.583 119.183 0.400 18027 7508 1 11 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.186 -0.337 18027 7509 1 11 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.360 -2.278 18027 7510 1 11 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.239 -2.728 18027 7511 1 11 . 1 1 140 140 GLU H H 140 8.664 8.664 8.399 0.265 18027 7512 1 11 . 1 1 141 141 PHE N N 141 123.810 123.810 120.758 3.052 18027 7513 1 11 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.193 -0.472 18027 7514 1 11 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.461 -2.369 18027 7515 1 11 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.236 -1.531 18027 7516 1 11 . 1 1 141 141 PHE H H 141 8.395 8.395 8.059 0.336 18027 7517 1 11 . 1 1 142 142 VAL N N 142 118.551 118.551 118.462 0.089 18027 7518 1 11 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.620 -0.528 18027 7519 1 11 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.652 -2.470 18027 7520 1 11 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.894 -3.098 18027 7521 1 11 . 1 1 142 142 VAL H H 142 8.484 8.484 7.945 0.539 18027 7522 1 11 . 1 1 143 143 GLN N N 143 119.672 119.672 117.835 1.837 18027 7523 1 11 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.064 -0.226 18027 7524 1 11 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.219 -1.946 18027 7525 1 11 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.584 -3.672 18027 7526 1 11 . 1 1 143 143 GLN H H 143 7.803 7.803 7.511 0.292 18027 7527 1 11 . 1 1 144 144 MET N N 144 116.710 116.710 117.866 -1.156 18027 7528 1 11 . 1 1 144 144 MET HA H 144 3.943 3.943 4.235 -0.292 18027 7529 1 11 . 1 1 144 144 MET CA C 144 55.387 55.387 56.794 -1.407 18027 7530 1 11 . 1 1 144 144 MET CB C 144 29.709 29.709 32.531 -2.821 18027 7531 1 11 . 1 1 144 144 MET H H 144 7.322 7.322 7.508 -0.186 18027 7532 1 11 . 1 1 145 145 MET N N 145 114.879 114.879 114.296 0.583 18027 7533 1 11 . 1 1 145 145 MET HA H 145 4.062 4.062 4.430 -0.368 18027 7534 1 11 . 1 1 145 145 MET CA C 145 53.291 53.291 57.157 -3.866 18027 7535 1 11 . 1 1 145 145 MET CB C 145 29.253 29.253 31.677 -2.424 18027 7536 1 11 . 1 1 145 145 MET H H 145 7.467 7.467 7.415 0.052 18027 7537 1 11 . 1 1 146 146 THR N N 146 108.698 108.698 113.610 -4.912 18027 7538 1 11 . 1 1 146 146 THR HA H 146 4.136 4.136 4.328 -0.192 18027 7539 1 11 . 1 1 146 146 THR CA C 146 59.201 59.201 61.033 -1.832 18027 7540 1 11 . 1 1 146 146 THR CB C 146 67.404 67.404 69.260 -1.856 18027 7541 1 11 . 1 1 146 146 THR H H 146 7.551 7.551 7.743 -0.192 18027 7542 1 11 . 1 1 147 147 ALA N N 147 126.669 126.669 125.196 1.473 18027 7543 1 11 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.353 -0.208 18027 7544 1 11 . 1 1 147 147 ALA CA C 147 50.073 50.073 52.350 -2.277 18027 7545 1 11 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.514 -3.169 18027 7546 1 11 . 1 1 147 147 ALA H H 147 7.596 7.596 7.057 0.539 18027 7547 1 12 . 1 1 2 2 ASP N N 2 120.442 120.442 118.898 1.544 18027 7548 1 12 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.759 -0.306 18027 7549 1 12 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.422 -2.493 18027 7550 1 12 . 1 1 2 2 ASP CB C 2 38.505 38.505 42.206 -3.701 18027 7551 1 12 . 1 1 2 2 ASP H H 2 8.521 8.521 8.568 -0.047 18027 7552 1 12 . 1 1 3 3 GLN N N 3 119.769 119.769 120.881 -1.112 18027 7553 1 12 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.516 -0.298 18027 7554 1 12 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.141 -2.455 18027 7555 1 12 . 1 1 3 3 GLN H H 3 8.199 8.199 8.019 0.180 18027 7556 1 12 . 1 1 4 4 LEU N N 4 120.939 120.939 123.547 -2.608 18027 7557 1 12 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.613 -0.130 18027 7558 1 12 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.346 -2.762 18027 7559 1 12 . 1 1 4 4 LEU CB C 4 40.561 40.561 42.872 -2.311 18027 7560 1 12 . 1 1 4 4 LEU H H 4 7.510 7.510 8.400 -0.890 18027 7561 1 12 . 1 1 5 5 THR N N 5 112.777 112.777 113.229 -0.452 18027 7562 1 12 . 1 1 5 5 THR HA H 5 4.253 4.253 4.538 -0.285 18027 7563 1 12 . 1 1 5 5 THR CA C 5 57.873 57.873 61.156 -3.283 18027 7564 1 12 . 1 1 5 5 THR CB C 5 68.203 68.203 70.248 -2.045 18027 7565 1 12 . 1 1 5 5 THR H H 5 8.576 8.576 8.023 0.553 18027 7566 1 12 . 1 1 6 6 GLU N N 6 120.254 120.254 120.093 0.161 18027 7567 1 12 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.018 -0.224 18027 7568 1 12 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.127 -1.482 18027 7569 1 12 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.249 -2.963 18027 7570 1 12 . 1 1 6 6 GLU H H 6 8.874 8.874 8.754 0.120 18027 7571 1 12 . 1 1 7 7 GLU N N 7 119.637 119.637 119.450 0.187 18027 7572 1 12 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.146 -0.250 18027 7573 1 12 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.974 -1.798 18027 7574 1 12 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.477 -3.423 18027 7575 1 12 . 1 1 7 7 GLU H H 7 8.536 8.536 8.211 0.325 18027 7576 1 12 . 1 1 8 8 GLN N N 8 120.086 120.086 118.588 1.498 18027 7577 1 12 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.442 -0.604 18027 7578 1 12 . 1 1 8 8 GLN CA C 8 56.411 56.411 57.916 -1.505 18027 7579 1 12 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.085 -2.460 18027 7580 1 12 . 1 1 8 8 GLN H H 8 7.499 7.499 7.822 -0.323 18027 7581 1 12 . 1 1 9 9 ILE N N 9 120.295 120.295 119.610 0.685 18027 7582 1 12 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.815 -0.148 18027 7583 1 12 . 1 1 9 9 ILE CA C 9 64.046 64.046 63.797 0.249 18027 7584 1 12 . 1 1 9 9 ILE H H 9 8.405 8.405 8.835 -0.430 18027 7585 1 12 . 1 1 10 10 ALA N N 10 121.503 121.503 121.034 0.469 18027 7586 1 12 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.142 -0.231 18027 7587 1 12 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.217 -2.560 18027 7588 1 12 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.182 -3.207 18027 7589 1 12 . 1 1 10 10 ALA H H 10 7.949 7.949 7.601 0.348 18027 7590 1 12 . 1 1 11 11 GLU N N 11 118.352 118.352 118.505 -0.153 18027 7591 1 12 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.118 -0.280 18027 7592 1 12 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.777 -2.104 18027 7593 1 12 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.521 -2.553 18027 7594 1 12 . 1 1 11 11 GLU H H 11 7.700 7.700 7.867 -0.167 18027 7595 1 12 . 1 1 12 12 PHE N N 12 117.277 117.277 120.265 -2.988 18027 7596 1 12 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.235 0.242 18027 7597 1 12 . 1 1 12 12 PHE CA C 12 59.655 59.655 61.814 -2.159 18027 7598 1 12 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.190 -3.655 18027 7599 1 12 . 1 1 12 12 PHE H H 12 8.211 8.211 7.455 0.756 18027 7600 1 12 . 1 1 13 13 LYS N N 13 122.928 122.928 118.642 4.286 18027 7601 1 12 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.936 -0.011 18027 7602 1 12 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.515 -2.361 18027 7603 1 12 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.200 -6.030 18027 7604 1 12 . 1 1 13 13 LYS H H 13 8.925 8.925 7.733 1.192 18027 7605 1 12 . 1 1 14 14 GLU N N 14 119.706 119.706 118.307 1.399 18027 7606 1 12 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.128 -0.270 18027 7607 1 12 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.699 -2.363 18027 7608 1 12 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.824 -3.541 18027 7609 1 12 . 1 1 14 14 GLU H H 14 7.824 7.824 7.779 0.045 18027 7610 1 12 . 1 1 15 15 ALA N N 15 123.880 123.880 121.695 2.185 18027 7611 1 12 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.192 -0.325 18027 7612 1 12 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.217 -1.382 18027 7613 1 12 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.321 -3.118 18027 7614 1 12 . 1 1 15 15 ALA H H 15 8.124 8.124 8.025 0.099 18027 7615 1 12 . 1 1 16 16 PHE N N 16 118.972 118.972 119.352 -0.380 18027 7616 1 12 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.209 -1.077 18027 7617 1 12 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.604 -0.621 18027 7618 1 12 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.638 -3.188 18027 7619 1 12 . 1 1 16 16 PHE H H 16 8.446 8.446 7.960 0.486 18027 7620 1 12 . 1 1 17 17 SER N N 17 114.737 114.737 113.790 0.947 18027 7621 1 12 . 1 1 17 17 SER HA H 17 3.902 3.902 4.336 -0.434 18027 7622 1 12 . 1 1 17 17 SER CA C 17 58.999 58.999 60.625 -1.626 18027 7623 1 12 . 1 1 17 17 SER CB C 17 60.436 60.436 63.111 -2.675 18027 7624 1 12 . 1 1 17 17 SER H H 17 7.874 7.874 7.820 0.054 18027 7625 1 12 . 1 1 18 18 LEU N N 18 120.225 120.225 121.205 -0.980 18027 7626 1 12 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.073 -0.288 18027 7627 1 12 . 1 1 18 18 LEU CA C 18 54.729 54.729 56.965 -2.236 18027 7628 1 12 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.209 -4.047 18027 7629 1 12 . 1 1 18 18 LEU H H 18 7.183 7.183 7.337 -0.154 18027 7630 1 12 . 1 1 19 19 PHE N N 19 112.357 112.357 113.352 -0.995 18027 7631 1 12 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.465 -2.041 18027 7632 1 12 . 1 1 19 19 PHE H H 19 6.977 6.977 7.462 -0.485 18027 7633 1 12 . 1 1 20 20 ASP N N 20 117.274 117.274 120.340 -3.066 18027 7634 1 12 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.948 -0.516 18027 7635 1 12 . 1 1 20 20 ASP CA C 20 49.512 49.512 53.230 -3.718 18027 7636 1 12 . 1 1 20 20 ASP CB C 20 36.677 36.677 39.938 -3.261 18027 7637 1 12 . 1 1 20 20 ASP H H 20 7.446 7.446 7.641 -0.195 18027 7638 1 12 . 1 1 21 21 LYS N N 21 124.296 124.296 120.866 3.430 18027 7639 1 12 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.204 -0.366 18027 7640 1 12 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.638 -1.959 18027 7641 1 12 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.302 -2.707 18027 7642 1 12 . 1 1 21 21 LYS H H 21 7.520 7.520 8.070 -0.550 18027 7643 1 12 . 1 1 22 22 ASP N N 22 113.761 113.761 118.671 -4.910 18027 7644 1 12 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.719 -0.285 18027 7645 1 12 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.868 -4.807 18027 7646 1 12 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.536 -4.973 18027 7647 1 12 . 1 1 22 22 ASP H H 22 7.819 7.819 7.986 -0.167 18027 7648 1 12 . 1 1 23 23 GLY N N 23 108.838 108.838 107.061 1.777 18027 7649 1 12 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.937 -1.632 18027 7650 1 12 . 1 1 23 23 GLY H H 23 7.497 7.497 8.119 -0.622 18027 7651 1 12 . 1 1 24 24 ASP N N 24 120.790 120.790 119.716 1.074 18027 7652 1 12 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.795 -0.445 18027 7653 1 12 . 1 1 24 24 ASP CA C 24 50.853 50.853 53.960 -3.107 18027 7654 1 12 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.536 -4.173 18027 7655 1 12 . 1 1 24 24 ASP H H 24 8.312 8.312 8.570 -0.258 18027 7656 1 12 . 1 1 25 25 GLY N N 25 112.499 112.499 109.340 3.159 18027 7657 1 12 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.245 -2.825 18027 7658 1 12 . 1 1 25 25 GLY H H 25 10.352 10.352 8.187 2.165 18027 7659 1 12 . 1 1 26 26 THR N N 26 111.781 111.781 112.168 -0.387 18027 7660 1 12 . 1 1 26 26 THR HA H 26 5.316 5.316 4.885 0.431 18027 7661 1 12 . 1 1 26 26 THR CA C 26 56.878 56.878 61.016 -4.138 18027 7662 1 12 . 1 1 26 26 THR CB C 26 70.031 70.031 72.215 -2.184 18027 7663 1 12 . 1 1 26 26 THR H H 26 8.018 8.018 9.021 -1.003 18027 7664 1 12 . 1 1 27 27 ILE N N 27 126.162 126.162 124.038 2.124 18027 7665 1 12 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.400 0.258 18027 7666 1 12 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.206 -1.728 18027 7667 1 12 . 1 1 27 27 ILE CB C 27 37.572 37.572 38.226 -0.654 18027 7668 1 12 . 1 1 27 27 ILE H H 27 9.769 9.769 8.733 1.036 18027 7669 1 12 . 1 1 28 28 THR N N 28 116.311 116.311 120.515 -4.204 18027 7670 1 12 . 1 1 28 28 THR HA H 28 4.669 4.669 4.579 0.090 18027 7671 1 12 . 1 1 28 28 THR CA C 28 56.878 56.878 62.682 -5.804 18027 7672 1 12 . 1 1 28 28 THR CB C 28 69.688 69.688 70.045 -0.357 18027 7673 1 12 . 1 1 28 28 THR H H 28 8.302 8.302 7.922 0.380 18027 7674 1 12 . 1 1 29 29 THR N N 29 112.465 112.465 115.172 -2.707 18027 7675 1 12 . 1 1 29 29 THR HA H 29 3.633 3.633 4.037 -0.404 18027 7676 1 12 . 1 1 29 29 THR CA C 29 63.820 63.820 66.794 -2.974 18027 7677 1 12 . 1 1 29 29 THR CB C 29 65.160 65.160 68.706 -3.546 18027 7678 1 12 . 1 1 29 29 THR H H 29 9.078 9.078 8.959 0.119 18027 7679 1 12 . 1 1 30 30 LYS N N 30 120.792 120.792 120.722 0.070 18027 7680 1 12 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.167 -0.212 18027 7681 1 12 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.836 -2.267 18027 7682 1 12 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.261 -1.666 18027 7683 1 12 . 1 1 30 30 LYS H H 30 7.467 7.467 8.374 -0.907 18027 7684 1 12 . 1 1 31 31 GLU N N 31 121.359 121.359 119.175 2.184 18027 7685 1 12 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.193 -0.287 18027 7686 1 12 . 1 1 31 31 GLU CA C 31 56.677 56.677 59.305 -2.628 18027 7687 1 12 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.359 -2.277 18027 7688 1 12 . 1 1 31 31 GLU H H 31 7.574 7.574 8.345 -0.771 18027 7689 1 12 . 1 1 32 32 LEU N N 32 120.087 120.087 120.958 -0.871 18027 7690 1 12 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.323 -0.266 18027 7691 1 12 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.705 -2.133 18027 7692 1 12 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.191 -2.339 18027 7693 1 12 . 1 1 32 32 LEU H H 32 8.712 8.712 7.867 0.845 18027 7694 1 12 . 1 1 33 33 GLY N N 33 105.634 105.634 105.028 0.606 18027 7695 1 12 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.289 -1.652 18027 7696 1 12 . 1 1 33 33 GLY H H 33 8.696 8.696 7.842 0.854 18027 7697 1 12 . 1 1 34 34 THR N N 34 117.265 117.265 118.553 -1.288 18027 7698 1 12 . 1 1 34 34 THR HA H 34 3.810 3.810 4.002 -0.192 18027 7699 1 12 . 1 1 34 34 THR CA C 34 64.259 64.259 66.585 -2.326 18027 7700 1 12 . 1 1 34 34 THR CB C 34 66.033 66.033 68.567 -2.534 18027 7701 1 12 . 1 1 34 34 THR H H 34 7.785 7.785 7.661 0.124 18027 7702 1 12 . 1 1 35 35 VAL N N 35 121.498 121.498 120.731 0.767 18027 7703 1 12 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.846 -0.445 18027 7704 1 12 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.325 -1.017 18027 7705 1 12 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.681 -2.885 18027 7706 1 12 . 1 1 35 35 VAL H H 35 7.268 7.268 7.466 -0.198 18027 7707 1 12 . 1 1 36 36 MET N N 36 117.302 117.302 118.297 -0.995 18027 7708 1 12 . 1 1 36 36 MET HA H 36 3.842 3.842 4.239 -0.397 18027 7709 1 12 . 1 1 36 36 MET CA C 36 56.606 56.606 58.287 -1.681 18027 7710 1 12 . 1 1 36 36 MET CB C 36 28.453 28.453 32.557 -4.104 18027 7711 1 12 . 1 1 36 36 MET H H 36 8.487 8.487 7.655 0.832 18027 7712 1 12 . 1 1 37 37 ARG N N 37 118.262 118.262 118.365 -0.103 18027 7713 1 12 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.402 0.255 18027 7714 1 12 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.728 -2.248 18027 7715 1 12 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.474 -3.734 18027 7716 1 12 . 1 1 37 37 ARG H H 37 8.330 8.330 7.878 0.452 18027 7717 1 12 . 1 1 38 38 SER N N 38 117.873 117.873 112.901 4.972 18027 7718 1 12 . 1 1 38 38 SER H H 38 7.815 7.815 7.513 0.302 18027 7719 1 12 . 1 1 39 39 LEU N N 39 117.970 117.970 119.606 -1.636 18027 7720 1 12 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.319 -0.247 18027 7721 1 12 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.360 -3.922 18027 7722 1 12 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.154 -3.992 18027 7723 1 12 . 1 1 39 39 LEU H H 39 7.326 7.326 7.491 -0.165 18027 7724 1 12 . 1 1 40 40 GLY N N 40 106.755 106.755 105.017 1.738 18027 7725 1 12 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.612 -1.948 18027 7726 1 12 . 1 1 40 40 GLY H H 40 7.636 7.636 7.657 -0.021 18027 7727 1 12 . 1 1 41 41 GLN N N 41 118.316 118.316 119.374 -1.058 18027 7728 1 12 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.588 -0.303 18027 7729 1 12 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.174 -3.321 18027 7730 1 12 . 1 1 41 41 GLN CB C 41 27.311 27.311 32.211 -4.900 18027 7731 1 12 . 1 1 41 41 GLN H H 41 7.827 7.827 7.706 0.121 18027 7732 1 12 . 1 1 42 42 ASN N N 42 115.866 115.866 121.610 -5.744 18027 7733 1 12 . 1 1 42 42 ASN HA H 42 5.013 5.013 4.960 0.053 18027 7734 1 12 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.913 -3.351 18027 7735 1 12 . 1 1 42 42 ASN CB C 42 36.318 36.318 38.969 -2.651 18027 7736 1 12 . 1 1 42 42 ASN H H 42 8.557 8.557 8.543 0.014 18027 7737 1 12 . 1 1 44 44 THR N N 44 113.035 113.035 117.713 -4.678 18027 7738 1 12 . 1 1 44 44 THR HA H 44 4.296 4.296 4.542 -0.246 18027 7739 1 12 . 1 1 44 44 THR CA C 44 57.922 57.922 59.850 -1.928 18027 7740 1 12 . 1 1 44 44 THR CB C 44 68.317 68.317 71.732 -3.415 18027 7741 1 12 . 1 1 44 44 THR H H 44 8.694 8.694 8.211 0.483 18027 7742 1 12 . 1 1 45 45 GLU N N 45 120.283 120.283 121.843 -1.560 18027 7743 1 12 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.035 -0.139 18027 7744 1 12 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.824 -2.468 18027 7745 1 12 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.256 -3.539 18027 7746 1 12 . 1 1 45 45 GLU H H 45 8.687 8.687 8.986 -0.299 18027 7747 1 12 . 1 1 46 46 ALA N N 46 120.685 120.685 122.183 -1.498 18027 7748 1 12 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.166 -0.296 18027 7749 1 12 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.507 -2.191 18027 7750 1 12 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.102 -3.014 18027 7751 1 12 . 1 1 46 46 ALA H H 46 8.153 8.153 8.088 0.065 18027 7752 1 12 . 1 1 47 47 GLU N N 47 118.546 118.546 118.816 -0.270 18027 7753 1 12 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.176 -0.317 18027 7754 1 12 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.373 -1.865 18027 7755 1 12 . 1 1 47 47 GLU CB C 47 26.740 26.740 28.887 -2.147 18027 7756 1 12 . 1 1 47 47 GLU H H 47 7.554 7.554 8.219 -0.665 18027 7757 1 12 . 1 1 48 48 LEU N N 48 120.085 120.085 120.469 -0.384 18027 7758 1 12 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.001 -0.061 18027 7759 1 12 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.828 -2.460 18027 7760 1 12 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.983 -2.563 18027 7761 1 12 . 1 1 48 48 LEU H H 48 8.247 8.247 8.353 -0.106 18027 7762 1 12 . 1 1 49 49 GLN N N 49 118.119 118.119 117.947 0.172 18027 7763 1 12 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.028 -0.115 18027 7764 1 12 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.739 -2.035 18027 7765 1 12 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.400 -2.003 18027 7766 1 12 . 1 1 49 49 GLN H H 49 7.891 7.891 7.701 0.190 18027 7767 1 12 . 1 1 50 50 ASP N N 50 119.263 119.263 120.906 -1.643 18027 7768 1 12 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.427 -0.248 18027 7769 1 12 . 1 1 50 50 ASP CA C 50 54.876 54.876 57.070 -2.194 18027 7770 1 12 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.845 -3.597 18027 7771 1 12 . 1 1 50 50 ASP H H 50 7.803 7.803 7.561 0.242 18027 7772 1 12 . 1 1 51 51 MET N N 51 120.178 120.178 118.511 1.667 18027 7773 1 12 . 1 1 51 51 MET HA H 51 3.966 3.966 4.196 -0.230 18027 7774 1 12 . 1 1 51 51 MET CA C 51 57.074 57.074 56.764 0.310 18027 7775 1 12 . 1 1 51 51 MET CB C 51 29.975 29.975 32.624 -2.649 18027 7776 1 12 . 1 1 51 51 MET H H 51 7.831 7.831 7.397 0.434 18027 7777 1 12 . 1 1 52 52 ILE N N 52 116.856 116.856 120.456 -3.600 18027 7778 1 12 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.568 -0.220 18027 7779 1 12 . 1 1 52 52 ILE CA C 52 61.675 61.675 65.990 -4.315 18027 7780 1 12 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.384 -3.562 18027 7781 1 12 . 1 1 52 52 ILE H H 52 7.703 7.703 7.742 -0.039 18027 7782 1 12 . 1 1 53 53 ASN N N 53 117.417 117.417 116.792 0.625 18027 7783 1 12 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.528 -0.275 18027 7784 1 12 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.585 -2.544 18027 7785 1 12 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.286 -3.208 18027 7786 1 12 . 1 1 53 53 ASN H H 53 8.187 8.187 7.841 0.346 18027 7787 1 12 . 1 1 54 54 GLU N N 54 116.996 116.996 118.904 -1.908 18027 7788 1 12 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.225 -0.366 18027 7789 1 12 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.936 -3.062 18027 7790 1 12 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.440 -4.043 18027 7791 1 12 . 1 1 54 54 GLU H H 54 7.391 7.391 7.461 -0.070 18027 7792 1 12 . 1 1 55 55 VAL N N 55 114.596 114.596 113.801 0.795 18027 7793 1 12 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.150 -0.163 18027 7794 1 12 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.383 -3.438 18027 7795 1 12 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.730 -1.992 18027 7796 1 12 . 1 1 55 55 VAL H H 55 7.151 7.151 7.423 -0.272 18027 7797 1 12 . 1 1 56 56 ASP N N 56 119.670 119.670 122.751 -3.081 18027 7798 1 12 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.732 -0.415 18027 7799 1 12 . 1 1 56 56 ASP CA C 56 51.356 51.356 54.972 -3.616 18027 7800 1 12 . 1 1 56 56 ASP CB C 56 37.591 37.591 40.769 -3.178 18027 7801 1 12 . 1 1 56 56 ASP H H 56 7.913 7.913 8.155 -0.242 18027 7802 1 12 . 1 1 57 57 ALA N N 57 131.491 131.491 128.969 2.522 18027 7803 1 12 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.209 -0.108 18027 7804 1 12 . 1 1 57 57 ALA CA C 57 51.183 51.183 54.009 -2.826 18027 7805 1 12 . 1 1 57 57 ALA H H 57 8.126 8.126 8.528 -0.402 18027 7806 1 12 . 1 1 58 58 ASP N N 58 114.255 114.255 118.895 -4.640 18027 7807 1 12 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.575 -0.141 18027 7808 1 12 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.865 -4.905 18027 7809 1 12 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.072 -4.510 18027 7810 1 12 . 1 1 58 58 ASP H H 58 8.130 8.130 8.264 -0.134 18027 7811 1 12 . 1 1 59 59 GLY N N 59 108.987 108.987 105.640 3.347 18027 7812 1 12 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.625 -1.329 18027 7813 1 12 . 1 1 59 59 GLY H H 59 7.504 7.504 8.696 -1.192 18027 7814 1 12 . 1 1 60 60 ASN N N 60 118.770 118.770 118.970 -0.200 18027 7815 1 12 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.743 -0.314 18027 7816 1 12 . 1 1 60 60 ASN CA C 60 49.859 49.859 53.230 -3.371 18027 7817 1 12 . 1 1 60 60 ASN CB C 60 34.507 34.507 39.408 -4.901 18027 7818 1 12 . 1 1 60 60 ASN H H 60 8.095 8.095 8.324 -0.229 18027 7819 1 12 . 1 1 61 61 GLY N N 61 112.773 112.773 110.169 2.604 18027 7820 1 12 . 1 1 61 61 GLY CA C 61 42.712 42.712 44.946 -2.234 18027 7821 1 12 . 1 1 61 61 GLY H H 61 10.280 10.280 8.598 1.682 18027 7822 1 12 . 1 1 62 62 THR N N 62 108.117 108.117 110.286 -2.169 18027 7823 1 12 . 1 1 62 62 THR HA H 62 4.672 4.672 4.791 -0.119 18027 7824 1 12 . 1 1 62 62 THR CA C 62 56.878 56.878 60.091 -3.213 18027 7825 1 12 . 1 1 62 62 THR CB C 62 69.688 69.688 72.239 -2.551 18027 7826 1 12 . 1 1 62 62 THR H H 62 7.475 7.475 8.632 -1.157 18027 7827 1 12 . 1 1 63 63 ILE N N 63 122.642 122.642 123.146 -0.504 18027 7828 1 12 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.317 0.479 18027 7829 1 12 . 1 1 63 63 ILE CA C 63 57.812 57.812 61.231 -3.419 18027 7830 1 12 . 1 1 63 63 ILE CB C 63 37.363 37.363 39.166 -1.803 18027 7831 1 12 . 1 1 63 63 ILE H H 63 8.449 8.449 8.218 0.231 18027 7832 1 12 . 1 1 64 64 ASP N N 64 128.633 128.633 127.081 1.552 18027 7833 1 12 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.081 0.235 18027 7834 1 12 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.629 -4.349 18027 7835 1 12 . 1 1 64 64 ASP CB C 64 39.761 39.761 42.203 -2.442 18027 7836 1 12 . 1 1 64 64 ASP H H 64 9.011 9.011 8.337 0.674 18027 7837 1 12 . 1 1 65 65 PHE N N 65 118.892 118.892 115.982 2.910 18027 7838 1 12 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.722 -0.955 18027 7839 1 12 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.597 -0.384 18027 7840 1 12 . 1 1 65 65 PHE H H 65 8.766 8.766 8.391 0.375 18027 7841 1 12 . 1 1 67 67 GLU N N 67 118.675 118.675 116.199 2.476 18027 7842 1 12 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.265 -0.428 18027 7843 1 12 . 1 1 67 67 GLU CA C 67 56.605 56.605 56.793 -0.188 18027 7844 1 12 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.362 -1.965 18027 7845 1 12 . 1 1 67 67 GLU H H 67 7.487 7.487 8.661 -1.174 18027 7846 1 12 . 1 1 68 68 PHE N N 68 123.182 123.182 121.624 1.558 18027 7847 1 12 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.301 -0.633 18027 7848 1 12 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.421 -2.992 18027 7849 1 12 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.687 -2.095 18027 7850 1 12 . 1 1 68 68 PHE H H 68 8.066 8.066 7.576 0.490 18027 7851 1 12 . 1 1 69 69 LEU N N 69 119.530 119.530 118.577 0.953 18027 7852 1 12 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.033 -0.078 18027 7853 1 12 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.098 -2.324 18027 7854 1 12 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.467 -2.048 18027 7855 1 12 . 1 1 69 69 LEU H H 69 8.672 8.672 7.753 0.919 18027 7856 1 12 . 1 1 70 70 THR N N 70 113.765 113.765 115.191 -1.426 18027 7857 1 12 . 1 1 70 70 THR HA H 70 3.806 3.806 3.994 -0.188 18027 7858 1 12 . 1 1 70 70 THR CA C 70 63.861 63.861 66.330 -2.469 18027 7859 1 12 . 1 1 70 70 THR CB C 70 66.147 66.147 68.438 -2.291 18027 7860 1 12 . 1 1 70 70 THR H H 70 7.909 7.909 7.877 0.032 18027 7861 1 12 . 1 1 71 71 MET N N 71 119.518 119.518 120.362 -0.844 18027 7862 1 12 . 1 1 71 71 MET HA H 71 3.881 3.881 4.247 -0.366 18027 7863 1 12 . 1 1 71 71 MET CA C 71 56.106 56.106 58.611 -2.505 18027 7864 1 12 . 1 1 71 71 MET CB C 71 29.595 29.595 32.664 -3.069 18027 7865 1 12 . 1 1 71 71 MET H H 71 7.120 7.120 7.398 -0.278 18027 7866 1 12 . 1 1 72 72 MET N N 72 116.280 116.280 119.246 -2.966 18027 7867 1 12 . 1 1 72 72 MET HA H 72 3.817 3.817 4.308 -0.491 18027 7868 1 12 . 1 1 72 72 MET CA C 72 55.111 55.111 57.554 -2.443 18027 7869 1 12 . 1 1 72 72 MET CB C 72 27.892 27.892 32.550 -4.658 18027 7870 1 12 . 1 1 72 72 MET H H 72 7.737 7.737 7.554 0.183 18027 7871 1 12 . 1 1 73 73 ALA N N 73 119.984 119.984 119.410 0.574 18027 7872 1 12 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.169 -0.331 18027 7873 1 12 . 1 1 73 73 ALA CA C 73 51.812 51.812 54.018 -2.206 18027 7874 1 12 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.277 -3.074 18027 7875 1 12 . 1 1 73 73 ALA H H 73 8.322 8.322 7.788 0.534 18027 7876 1 12 . 1 1 74 74 ARG N N 74 116.354 116.354 118.987 -2.633 18027 7877 1 12 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.163 -0.325 18027 7878 1 12 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.932 -2.975 18027 7879 1 12 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.579 -5.324 18027 7880 1 12 . 1 1 74 74 ARG H H 74 7.264 7.264 7.789 -0.525 18027 7881 1 12 . 1 1 75 75 LYS N N 75 120.084 120.084 119.045 1.039 18027 7882 1 12 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.434 -0.486 18027 7883 1 12 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.326 -2.467 18027 7884 1 12 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.027 -3.346 18027 7885 1 12 . 1 1 75 75 LYS H H 75 7.756 7.756 7.530 0.226 18027 7886 1 12 . 1 1 76 76 MET N N 76 117.139 117.139 117.294 -0.155 18027 7887 1 12 . 1 1 76 76 MET HA H 76 4.168 4.168 4.482 -0.314 18027 7888 1 12 . 1 1 76 76 MET CA C 76 54.704 54.704 55.174 -0.470 18027 7889 1 12 . 1 1 76 76 MET CB C 76 30.052 30.052 32.019 -1.967 18027 7890 1 12 . 1 1 76 76 MET H H 76 7.985 7.985 7.544 0.441 18027 7891 1 12 . 1 1 77 77 LYS N N 77 116.614 116.614 117.429 -0.815 18027 7892 1 12 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.408 -0.187 18027 7893 1 12 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.402 -3.218 18027 7894 1 12 . 1 1 77 77 LYS CB C 77 26.283 26.283 33.038 -6.755 18027 7895 1 12 . 1 1 77 77 LYS H H 77 7.275 7.275 7.467 -0.192 18027 7896 1 12 . 1 1 78 78 ASP N N 78 123.187 123.187 119.979 3.208 18027 7897 1 12 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.725 -0.274 18027 7898 1 12 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.881 -3.149 18027 7899 1 12 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.312 -2.921 18027 7900 1 12 . 1 1 78 78 ASP H H 78 8.181 8.181 7.658 0.523 18027 7901 1 12 . 1 1 79 79 THR N N 79 114.325 114.325 111.827 2.498 18027 7902 1 12 . 1 1 79 79 THR HA H 79 4.034 4.034 3.932 0.102 18027 7903 1 12 . 1 1 79 79 THR CA C 79 61.322 61.322 64.594 -3.272 18027 7904 1 12 . 1 1 79 79 THR CB C 79 66.147 66.147 66.877 -0.730 18027 7905 1 12 . 1 1 79 79 THR H H 79 8.377 8.377 8.365 0.012 18027 7906 1 12 . 1 1 80 80 ASP N N 80 120.844 120.844 119.767 1.077 18027 7907 1 12 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.782 -0.477 18027 7908 1 12 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.622 -2.950 18027 7909 1 12 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.756 -3.165 18027 7910 1 12 . 1 1 80 80 ASP H H 80 8.223 8.223 8.630 -0.407 18027 7911 1 12 . 1 1 81 81 SER N N 81 115.729 115.729 114.651 1.078 18027 7912 1 12 . 1 1 81 81 SER HA H 81 3.911 3.911 4.252 -0.341 18027 7913 1 12 . 1 1 81 81 SER CA C 81 57.939 57.939 60.181 -2.242 18027 7914 1 12 . 1 1 81 81 SER CB C 81 60.664 60.664 62.975 -2.311 18027 7915 1 12 . 1 1 81 81 SER H H 81 7.785 7.785 8.337 -0.552 18027 7916 1 12 . 1 1 82 82 GLU N N 82 121.960 121.960 122.723 -0.763 18027 7917 1 12 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.220 -0.324 18027 7918 1 12 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.132 -1.303 18027 7919 1 12 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.181 -2.556 18027 7920 1 12 . 1 1 82 82 GLU H H 82 8.208 8.208 8.465 -0.257 18027 7921 1 12 . 1 1 83 83 GLU N N 83 118.040 118.040 119.067 -1.027 18027 7922 1 12 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.158 -0.320 18027 7923 1 12 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.790 -2.845 18027 7924 1 12 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.816 -2.984 18027 7925 1 12 . 1 1 83 83 GLU H H 83 7.898 7.898 7.716 0.182 18027 7926 1 12 . 1 1 84 84 GLU N N 84 118.825 118.825 119.511 -0.686 18027 7927 1 12 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.850 -4.092 18027 7928 1 12 . 1 1 84 84 GLU CB C 84 30.852 30.852 30.115 0.737 18027 7929 1 12 . 1 1 84 84 GLU H H 84 8.154 8.154 7.703 0.451 18027 7930 1 12 . 1 1 85 85 ILE N N 85 119.310 119.310 118.670 0.640 18027 7931 1 12 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.904 -0.137 18027 7932 1 12 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.377 -4.519 18027 7933 1 12 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.738 -2.089 18027 7934 1 12 . 1 1 85 85 ILE H H 85 7.793 7.793 7.471 0.322 18027 7935 1 12 . 1 1 86 86 ARG N N 86 120.640 120.640 119.716 0.924 18027 7936 1 12 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.922 0.003 18027 7937 1 12 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.399 -2.134 18027 7938 1 12 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.418 -2.564 18027 7939 1 12 . 1 1 86 86 ARG H H 86 8.177 8.177 7.724 0.453 18027 7940 1 12 . 1 1 87 87 GLU N N 87 119.448 119.448 119.439 0.009 18027 7941 1 12 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.201 -0.349 18027 7942 1 12 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.657 -2.014 18027 7943 1 12 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.290 -3.236 18027 7944 1 12 . 1 1 87 87 GLU H H 87 7.828 7.828 7.769 0.059 18027 7945 1 12 . 1 1 88 88 ALA N N 88 122.592 122.592 122.122 0.470 18027 7946 1 12 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.385 -0.357 18027 7947 1 12 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.429 -1.833 18027 7948 1 12 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.558 -3.926 18027 7949 1 12 . 1 1 88 88 ALA H H 88 8.283 8.283 7.317 0.966 18027 7950 1 12 . 1 1 89 89 PHE N N 89 119.245 119.245 118.839 0.406 18027 7951 1 12 . 1 1 89 89 PHE HA H 89 3.114 3.114 3.997 -0.883 18027 7952 1 12 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.415 -1.870 18027 7953 1 12 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.572 -3.237 18027 7954 1 12 . 1 1 89 89 PHE H H 89 8.423 8.423 7.963 0.460 18027 7955 1 12 . 1 1 90 90 ARG N N 90 117.455 117.455 118.793 -1.338 18027 7956 1 12 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.353 -0.504 18027 7957 1 12 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.081 -2.768 18027 7958 1 12 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.923 -2.726 18027 7959 1 12 . 1 1 90 90 ARG H H 90 7.840 7.840 7.751 0.089 18027 7960 1 12 . 1 1 91 91 VAL N N 91 118.698 118.698 118.325 0.373 18027 7961 1 12 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.842 -0.590 18027 7962 1 12 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.547 -1.214 18027 7963 1 12 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.178 -3.068 18027 7964 1 12 . 1 1 91 91 VAL H H 91 7.262 7.262 7.555 -0.293 18027 7965 1 12 . 1 1 92 92 PHE N N 92 112.495 112.495 117.673 -5.178 18027 7966 1 12 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.324 -0.390 18027 7967 1 12 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.532 -3.351 18027 7968 1 12 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.921 -0.502 18027 7969 1 12 . 1 1 92 92 PHE H H 92 6.693 6.693 7.455 -0.762 18027 7970 1 12 . 1 1 93 93 ASP N N 93 117.214 117.214 118.120 -0.906 18027 7971 1 12 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.710 -0.276 18027 7972 1 12 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.533 -2.752 18027 7973 1 12 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.335 -2.886 18027 7974 1 12 . 1 1 93 93 ASP H H 93 7.954 7.954 8.067 -0.113 18027 7975 1 12 . 1 1 94 94 LYS N N 94 125.565 125.565 123.866 1.699 18027 7976 1 12 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.308 -0.529 18027 7977 1 12 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.683 -3.004 18027 7978 1 12 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.589 -2.994 18027 7979 1 12 . 1 1 94 94 LYS H H 94 7.671 7.671 8.005 -0.334 18027 7980 1 12 . 1 1 95 95 ASP N N 95 114.041 114.041 116.560 -2.519 18027 7981 1 12 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.799 -0.391 18027 7982 1 12 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.072 -2.859 18027 7983 1 12 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.371 -4.808 18027 7984 1 12 . 1 1 95 95 ASP H H 95 7.944 7.944 8.072 -0.128 18027 7985 1 12 . 1 1 96 96 GLY N N 96 108.849 108.849 108.816 0.033 18027 7986 1 12 . 1 1 96 96 GLY CA C 96 44.199 44.199 46.101 -1.902 18027 7987 1 12 . 1 1 96 96 GLY H H 96 7.529 7.529 7.734 -0.205 18027 7988 1 12 . 1 1 97 97 ASN N N 97 119.410 119.410 119.851 -0.441 18027 7989 1 12 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.704 -0.280 18027 7990 1 12 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.229 -3.546 18027 7991 1 12 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.692 -2.129 18027 7992 1 12 . 1 1 97 97 ASN H H 97 8.234 8.234 8.473 -0.239 18027 7993 1 12 . 1 1 98 98 GLY N N 98 112.073 112.073 106.019 6.054 18027 7994 1 12 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.817 -3.641 18027 7995 1 12 . 1 1 98 98 GLY H H 98 10.298 10.298 8.499 1.799 18027 7996 1 12 . 1 1 99 99 TYR N N 99 116.011 116.011 117.301 -1.290 18027 7997 1 12 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.121 -0.303 18027 7998 1 12 . 1 1 99 99 TYR CA C 99 53.681 53.681 55.605 -1.924 18027 7999 1 12 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.921 -1.046 18027 8000 1 12 . 1 1 99 99 TYR H H 99 7.497 7.497 7.413 0.084 18027 8001 1 12 . 1 1 100 100 ILE N N 100 126.793 126.793 121.096 5.697 18027 8002 1 12 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.257 0.166 18027 8003 1 12 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.485 -1.856 18027 8004 1 12 . 1 1 100 100 ILE CB C 100 35.748 35.748 40.309 -4.561 18027 8005 1 12 . 1 1 100 100 ILE H H 100 9.833 9.833 8.555 1.278 18027 8006 1 12 . 1 1 101 101 SER N N 101 123.825 123.825 123.512 0.313 18027 8007 1 12 . 1 1 101 101 SER HA H 101 4.657 4.657 4.654 0.003 18027 8008 1 12 . 1 1 101 101 SER CA C 101 53.060 53.060 57.809 -4.749 18027 8009 1 12 . 1 1 101 101 SER CB C 101 64.091 64.091 63.901 0.190 18027 8010 1 12 . 1 1 101 101 SER H H 101 8.870 8.870 8.967 -0.097 18027 8011 1 12 . 1 1 102 102 ALA N N 102 122.909 122.909 127.253 -4.344 18027 8012 1 12 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.086 -0.322 18027 8013 1 12 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.110 -2.060 18027 8014 1 12 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.694 -3.719 18027 8015 1 12 . 1 1 102 102 ALA H H 102 9.209 9.209 9.097 0.112 18027 8016 1 12 . 1 1 103 103 ALA N N 103 118.692 118.692 120.180 -1.488 18027 8017 1 12 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.104 -0.230 18027 8018 1 12 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.715 -2.230 18027 8019 1 12 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.413 -3.210 18027 8020 1 12 . 1 1 103 103 ALA H H 103 8.146 8.146 8.426 -0.280 18027 8021 1 12 . 1 1 104 104 GLU N N 104 120.098 120.098 118.891 1.207 18027 8022 1 12 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.242 -0.379 18027 8023 1 12 . 1 1 104 104 GLU CA C 104 56.575 56.575 59.275 -2.700 18027 8024 1 12 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.791 -4.421 18027 8025 1 12 . 1 1 104 104 GLU H H 104 7.832 7.832 8.097 -0.265 18027 8026 1 12 . 1 1 105 105 LEU N N 105 121.466 121.466 118.628 2.838 18027 8027 1 12 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.302 -0.186 18027 8028 1 12 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.872 -2.176 18027 8029 1 12 . 1 1 105 105 LEU CB C 105 38.962 38.962 42.020 -3.058 18027 8030 1 12 . 1 1 105 105 LEU H H 105 8.300 8.300 7.461 0.839 18027 8031 1 12 . 1 1 106 106 ARG N N 106 118.978 118.978 119.618 -0.640 18027 8032 1 12 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.950 -0.098 18027 8033 1 12 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.437 -2.003 18027 8034 1 12 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.875 -2.791 18027 8035 1 12 . 1 1 106 106 ARG H H 106 8.882 8.882 7.591 1.291 18027 8036 1 12 . 1 1 107 107 HIS N N 107 118.543 118.543 118.704 -0.161 18027 8037 1 12 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.325 -0.125 18027 8038 1 12 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.813 -2.988 18027 8039 1 12 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.489 -2.749 18027 8040 1 12 . 1 1 107 107 HIS H H 107 7.991 7.991 7.738 0.253 18027 8041 1 12 . 1 1 108 108 VAL N N 108 118.687 118.687 118.655 0.032 18027 8042 1 12 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.640 -0.548 18027 8043 1 12 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.012 -1.802 18027 8044 1 12 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.649 -2.739 18027 8045 1 12 . 1 1 108 108 VAL H H 108 7.425 7.425 7.370 0.055 18027 8046 1 12 . 1 1 109 109 MET N N 109 115.725 115.725 116.938 -1.213 18027 8047 1 12 . 1 1 109 109 MET HA H 109 3.944 3.944 4.263 -0.319 18027 8048 1 12 . 1 1 109 109 MET CA C 109 55.212 55.212 58.638 -3.426 18027 8049 1 12 . 1 1 109 109 MET CB C 109 27.425 27.425 33.028 -5.603 18027 8050 1 12 . 1 1 109 109 MET H H 109 7.972 7.972 7.448 0.524 18027 8051 1 12 . 1 1 110 110 THR N N 110 116.999 116.999 114.788 2.211 18027 8052 1 12 . 1 1 110 110 THR HA H 110 3.852 3.852 4.587 -0.735 18027 8053 1 12 . 1 1 110 110 THR CA C 110 63.918 63.918 64.779 -0.861 18027 8054 1 12 . 1 1 110 110 THR CB C 110 65.844 65.844 68.583 -2.739 18027 8055 1 12 . 1 1 110 110 THR H H 110 8.691 8.691 8.256 0.435 18027 8056 1 12 . 1 1 111 111 ASN N N 111 123.893 123.893 120.290 3.603 18027 8057 1 12 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.635 -0.394 18027 8058 1 12 . 1 1 111 111 ASN CA C 111 52.949 52.949 54.871 -1.922 18027 8059 1 12 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.699 -3.735 18027 8060 1 12 . 1 1 111 111 ASN H H 111 7.911 7.911 8.100 -0.189 18027 8061 1 12 . 1 1 112 112 LEU N N 112 119.244 119.244 117.085 2.159 18027 8062 1 12 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.188 -0.116 18027 8063 1 12 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.060 -2.159 18027 8064 1 12 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.260 -2.727 18027 8065 1 12 . 1 1 112 112 LEU H H 112 7.618 7.618 7.233 0.385 18027 8066 1 12 . 1 1 113 113 GLY N N 113 107.263 107.263 107.202 0.061 18027 8067 1 12 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.772 -2.335 18027 8068 1 12 . 1 1 113 113 GLY H H 113 7.743 7.743 7.468 0.275 18027 8069 1 12 . 1 1 114 114 GLU N N 114 120.073 120.073 119.878 0.195 18027 8070 1 12 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.607 -0.317 18027 8071 1 12 . 1 1 114 114 GLU CA C 114 51.526 51.526 55.152 -3.626 18027 8072 1 12 . 1 1 114 114 GLU CB C 114 27.539 27.539 33.079 -5.540 18027 8073 1 12 . 1 1 114 114 GLU H H 114 7.857 7.857 7.717 0.140 18027 8074 1 12 . 1 1 115 115 LYS N N 115 124.142 124.142 123.687 0.455 18027 8075 1 12 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.712 -0.492 18027 8076 1 12 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.723 -2.829 18027 8077 1 12 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.553 -4.072 18027 8078 1 12 . 1 1 115 115 LYS H H 115 8.377 8.377 8.515 -0.138 18027 8079 1 12 . 1 1 116 116 LEU N N 116 125.240 125.240 125.111 0.129 18027 8080 1 12 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.657 -0.185 18027 8081 1 12 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.368 -1.930 18027 8082 1 12 . 1 1 116 116 LEU CB C 116 40.675 40.675 45.146 -4.471 18027 8083 1 12 . 1 1 116 116 LEU H H 116 8.002 8.002 8.446 -0.444 18027 8084 1 12 . 1 1 117 117 THR N N 117 113.520 113.520 112.398 1.122 18027 8085 1 12 . 1 1 117 117 THR CA C 117 57.922 57.922 61.095 -3.173 18027 8086 1 12 . 1 1 117 117 THR CB C 117 68.352 68.352 70.479 -2.127 18027 8087 1 12 . 1 1 117 117 THR H H 117 8.927 8.927 8.373 0.554 18027 8088 1 12 . 1 1 118 118 ASP N N 118 120.859 120.859 122.328 -1.469 18027 8089 1 12 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.368 -0.325 18027 8090 1 12 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.837 -2.672 18027 8091 1 12 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.785 -4.011 18027 8092 1 12 . 1 1 118 118 ASP H H 118 8.754 8.754 8.761 -0.007 18027 8093 1 12 . 1 1 119 119 GLU N N 119 119.112 119.112 118.397 0.715 18027 8094 1 12 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.044 -0.117 18027 8095 1 12 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.966 -1.776 18027 8096 1 12 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.389 -3.106 18027 8097 1 12 . 1 1 119 119 GLU H H 119 8.507 8.507 8.705 -0.198 18027 8098 1 12 . 1 1 120 120 GLU N N 120 120.059 120.059 117.856 2.203 18027 8099 1 12 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.131 -0.273 18027 8100 1 12 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.333 -1.873 18027 8101 1 12 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.725 -2.208 18027 8102 1 12 . 1 1 120 120 GLU H H 120 7.809 7.809 8.270 -0.461 18027 8103 1 12 . 1 1 121 121 VAL N N 121 120.512 120.512 119.376 1.136 18027 8104 1 12 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.519 -0.047 18027 8105 1 12 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.369 -2.287 18027 8106 1 12 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.487 -2.920 18027 8107 1 12 . 1 1 121 121 VAL H H 121 7.898 7.898 7.198 0.700 18027 8108 1 12 . 1 1 122 122 ASP N N 122 119.857 119.857 119.087 0.770 18027 8109 1 12 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.334 -0.166 18027 8110 1 12 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.614 -2.708 18027 8111 1 12 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.682 -3.205 18027 8112 1 12 . 1 1 122 122 ASP H H 122 7.897 7.897 7.925 -0.028 18027 8113 1 12 . 1 1 123 123 GLU N N 123 119.630 119.630 118.520 1.110 18027 8114 1 12 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.136 -0.298 18027 8115 1 12 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.384 -1.307 18027 8116 1 12 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.677 -3.508 18027 8117 1 12 . 1 1 123 123 GLU H H 123 7.963 7.963 7.573 0.390 18027 8118 1 12 . 1 1 124 124 MET N N 124 119.144 119.144 116.354 2.790 18027 8119 1 12 . 1 1 124 124 MET HA H 124 3.859 3.859 4.288 -0.429 18027 8120 1 12 . 1 1 124 124 MET CA C 124 56.508 56.508 58.411 -1.903 18027 8121 1 12 . 1 1 124 124 MET CB C 124 29.253 29.253 33.228 -3.975 18027 8122 1 12 . 1 1 124 124 MET H H 124 7.631 7.631 7.636 -0.005 18027 8123 1 12 . 1 1 125 125 ILE N N 125 117.557 117.557 118.521 -0.964 18027 8124 1 12 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.824 -0.540 18027 8125 1 12 . 1 1 125 125 ILE CA C 125 61.139 61.139 63.975 -2.836 18027 8126 1 12 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.986 -3.936 18027 8127 1 12 . 1 1 125 125 ILE H H 125 7.669 7.669 7.622 0.047 18027 8128 1 12 . 1 1 126 126 ARG N N 126 118.414 118.414 119.131 -0.717 18027 8129 1 12 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.522 -0.664 18027 8130 1 12 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.572 -1.770 18027 8131 1 12 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.774 -2.349 18027 8132 1 12 . 1 1 126 126 ARG H H 126 7.952 7.952 7.551 0.401 18027 8133 1 12 . 1 1 127 127 GLU N N 127 116.143 116.143 116.863 -0.720 18027 8134 1 12 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.324 -0.466 18027 8135 1 12 . 1 1 127 127 GLU CA C 127 56.215 56.215 57.673 -1.458 18027 8136 1 12 . 1 1 127 127 GLU CB C 127 27.197 27.197 29.913 -2.716 18027 8137 1 12 . 1 1 127 127 GLU H H 127 7.294 7.294 7.779 -0.485 18027 8138 1 12 . 1 1 128 128 ALA N N 128 116.994 116.994 119.893 -2.899 18027 8139 1 12 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.945 -0.492 18027 8140 1 12 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.495 -3.324 18027 8141 1 12 . 1 1 128 128 ALA CB C 128 19.772 19.772 21.532 -1.760 18027 8142 1 12 . 1 1 128 128 ALA H H 128 7.110 7.110 7.606 -0.496 18027 8143 1 12 . 1 1 129 129 ASP N N 129 117.846 117.846 121.130 -3.284 18027 8144 1 12 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.380 0.062 18027 8145 1 12 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.202 -2.569 18027 8146 1 12 . 1 1 129 129 ASP CB C 129 38.505 38.505 39.007 -0.502 18027 8147 1 12 . 1 1 129 129 ASP H H 129 7.508 7.508 8.616 -1.108 18027 8148 1 12 . 1 1 130 130 ILE N N 130 128.118 128.118 119.556 8.562 18027 8149 1 12 . 1 1 130 130 ILE HA H 130 3.750 3.750 3.988 -0.238 18027 8150 1 12 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.280 -2.697 18027 8151 1 12 . 1 1 130 130 ILE CB C 130 35.763 35.763 37.874 -2.111 18027 8152 1 12 . 1 1 130 130 ILE H H 130 8.168 8.168 7.726 0.442 18027 8153 1 12 . 1 1 131 131 ASP N N 131 116.572 116.572 120.651 -4.079 18027 8154 1 12 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.558 -0.262 18027 8155 1 12 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.832 -2.710 18027 8156 1 12 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.933 -3.456 18027 8157 1 12 . 1 1 131 131 ASP H H 131 8.136 8.136 8.101 0.035 18027 8158 1 12 . 1 1 132 132 GLY N N 132 108.411 108.411 108.947 -0.536 18027 8159 1 12 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.894 -1.387 18027 8160 1 12 . 1 1 132 132 GLY H H 132 7.460 7.460 8.133 -0.673 18027 8161 1 12 . 1 1 133 133 ASP N N 133 120.424 120.424 119.926 0.498 18027 8162 1 12 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.556 -0.260 18027 8163 1 12 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.766 -2.913 18027 8164 1 12 . 1 1 133 133 ASP H H 133 8.177 8.177 8.240 -0.063 18027 8165 1 12 . 1 1 134 134 GLY N N 134 112.396 112.396 107.249 5.147 18027 8166 1 12 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.288 -2.235 18027 8167 1 12 . 1 1 134 134 GLY H H 134 10.043 10.043 8.415 1.628 18027 8168 1 12 . 1 1 135 135 GLN N N 135 115.588 115.588 117.170 -1.582 18027 8169 1 12 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.337 -0.533 18027 8170 1 12 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.365 -2.950 18027 8171 1 12 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.758 -3.477 18027 8172 1 12 . 1 1 135 135 GLN H H 135 7.866 7.866 7.482 0.384 18027 8173 1 12 . 1 1 136 136 VAL N N 136 124.910 124.910 119.951 4.959 18027 8174 1 12 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.328 0.671 18027 8175 1 12 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.425 -1.718 18027 8176 1 12 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.323 -2.243 18027 8177 1 12 . 1 1 136 136 VAL H H 136 8.856 8.856 8.693 0.163 18027 8178 1 12 . 1 1 137 137 ASN N N 137 129.009 129.009 122.397 6.612 18027 8179 1 12 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.229 -0.056 18027 8180 1 12 . 1 1 137 137 ASN CA C 137 48.083 48.083 52.083 -4.000 18027 8181 1 12 . 1 1 137 137 ASN CB C 137 35.634 35.634 41.451 -5.817 18027 8182 1 12 . 1 1 137 137 ASN H H 137 9.390 9.390 8.584 0.806 18027 8183 1 12 . 1 1 138 138 TYR N N 138 118.471 118.471 119.534 -1.063 18027 8184 1 12 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.511 -0.033 18027 8185 1 12 . 1 1 138 138 TYR CA C 138 59.799 59.799 61.119 -1.320 18027 8186 1 12 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.425 -1.890 18027 8187 1 12 . 1 1 138 138 TYR H H 138 8.075 8.075 8.620 -0.545 18027 8188 1 12 . 1 1 139 139 GLU N N 139 118.535 118.535 119.950 -1.415 18027 8189 1 12 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.025 -0.187 18027 8190 1 12 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.386 -1.854 18027 8191 1 12 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.631 -2.691 18027 8192 1 12 . 1 1 139 139 GLU H H 139 7.925 7.925 8.347 -0.422 18027 8193 1 12 . 1 1 140 140 GLU N N 140 119.583 119.583 119.471 0.112 18027 8194 1 12 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.191 -0.342 18027 8195 1 12 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.492 -2.410 18027 8196 1 12 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.289 -2.778 18027 8197 1 12 . 1 1 140 140 GLU H H 140 8.664 8.664 8.536 0.128 18027 8198 1 12 . 1 1 141 141 PHE N N 141 123.810 123.810 120.994 2.816 18027 8199 1 12 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.212 -0.491 18027 8200 1 12 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.503 -2.411 18027 8201 1 12 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.282 -1.577 18027 8202 1 12 . 1 1 141 141 PHE H H 141 8.395 8.395 8.243 0.152 18027 8203 1 12 . 1 1 142 142 VAL N N 142 118.551 118.551 118.177 0.374 18027 8204 1 12 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.801 -0.709 18027 8205 1 12 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.092 -1.910 18027 8206 1 12 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.708 -2.912 18027 8207 1 12 . 1 1 142 142 VAL H H 142 8.484 8.484 7.963 0.521 18027 8208 1 12 . 1 1 143 143 GLN N N 143 119.672 119.672 118.800 0.872 18027 8209 1 12 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.173 -0.335 18027 8210 1 12 . 1 1 143 143 GLN CA C 143 56.273 56.273 57.924 -1.651 18027 8211 1 12 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.670 -3.758 18027 8212 1 12 . 1 1 143 143 GLN H H 143 7.803 7.803 7.539 0.264 18027 8213 1 12 . 1 1 144 144 MET N N 144 116.710 116.710 117.322 -0.612 18027 8214 1 12 . 1 1 144 144 MET HA H 144 3.943 3.943 4.148 -0.205 18027 8215 1 12 . 1 1 144 144 MET CA C 144 55.387 55.387 58.268 -2.881 18027 8216 1 12 . 1 1 144 144 MET CB C 144 29.709 29.709 32.491 -2.782 18027 8217 1 12 . 1 1 144 144 MET H H 144 7.322 7.322 7.975 -0.653 18027 8218 1 12 . 1 1 145 145 MET N N 145 114.879 114.879 116.888 -2.009 18027 8219 1 12 . 1 1 145 145 MET HA H 145 4.062 4.062 4.392 -0.330 18027 8220 1 12 . 1 1 145 145 MET CA C 145 53.291 53.291 56.467 -3.176 18027 8221 1 12 . 1 1 145 145 MET CB C 145 29.253 29.253 32.967 -3.714 18027 8222 1 12 . 1 1 145 145 MET H H 145 7.467 7.467 7.520 -0.053 18027 8223 1 12 . 1 1 146 146 THR N N 146 108.698 108.698 110.374 -1.676 18027 8224 1 12 . 1 1 146 146 THR HA H 146 4.136 4.136 4.361 -0.225 18027 8225 1 12 . 1 1 146 146 THR CA C 146 59.201 59.201 61.939 -2.738 18027 8226 1 12 . 1 1 146 146 THR CB C 146 67.404 67.404 69.491 -2.087 18027 8227 1 12 . 1 1 146 146 THR H H 146 7.551 7.551 7.608 -0.057 18027 8228 1 12 . 1 1 147 147 ALA N N 147 126.669 126.669 124.608 2.061 18027 8229 1 12 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.452 -0.307 18027 8230 1 12 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.373 -1.300 18027 8231 1 12 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.422 -4.077 18027 8232 1 12 . 1 1 147 147 ALA H H 147 7.596 7.596 7.256 0.340 18027 8233 1 13 . 1 1 2 2 ASP N N 2 120.442 120.442 121.806 -1.364 18027 8234 1 13 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.879 -0.426 18027 8235 1 13 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.054 -2.125 18027 8236 1 13 . 1 1 2 2 ASP CB C 2 38.505 38.505 42.502 -3.997 18027 8237 1 13 . 1 1 2 2 ASP H H 2 8.521 8.521 8.403 0.118 18027 8238 1 13 . 1 1 3 3 GLN N N 3 119.769 119.769 120.169 -0.400 18027 8239 1 13 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.589 -0.371 18027 8240 1 13 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.223 -2.537 18027 8241 1 13 . 1 1 3 3 GLN H H 3 8.199 8.199 8.479 -0.280 18027 8242 1 13 . 1 1 4 4 LEU N N 4 120.939 120.939 124.002 -3.063 18027 8243 1 13 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.623 -0.140 18027 8244 1 13 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.790 -3.206 18027 8245 1 13 . 1 1 4 4 LEU CB C 4 40.561 40.561 42.315 -1.754 18027 8246 1 13 . 1 1 4 4 LEU H H 4 7.510 7.510 8.470 -0.960 18027 8247 1 13 . 1 1 5 5 THR N N 5 112.777 112.777 116.527 -3.750 18027 8248 1 13 . 1 1 5 5 THR HA H 5 4.253 4.253 4.390 -0.137 18027 8249 1 13 . 1 1 5 5 THR CA C 5 57.873 57.873 61.871 -3.998 18027 8250 1 13 . 1 1 5 5 THR CB C 5 68.203 68.203 69.001 -0.798 18027 8251 1 13 . 1 1 5 5 THR H H 5 8.576 8.576 8.321 0.255 18027 8252 1 13 . 1 1 6 6 GLU N N 6 120.254 120.254 120.757 -0.503 18027 8253 1 13 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.119 -0.325 18027 8254 1 13 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.035 -1.390 18027 8255 1 13 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.441 -3.155 18027 8256 1 13 . 1 1 6 6 GLU H H 6 8.874 8.874 8.694 0.180 18027 8257 1 13 . 1 1 7 7 GLU N N 7 119.637 119.637 118.899 0.738 18027 8258 1 13 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.164 -0.268 18027 8259 1 13 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.144 -1.968 18027 8260 1 13 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.485 -3.431 18027 8261 1 13 . 1 1 7 7 GLU H H 7 8.536 8.536 8.460 0.076 18027 8262 1 13 . 1 1 8 8 GLN N N 8 120.086 120.086 119.228 0.858 18027 8263 1 13 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.233 -0.395 18027 8264 1 13 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.271 -1.860 18027 8265 1 13 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.037 -2.412 18027 8266 1 13 . 1 1 8 8 GLN H H 8 7.499 7.499 7.838 -0.339 18027 8267 1 13 . 1 1 9 9 ILE N N 9 120.295 120.295 119.571 0.724 18027 8268 1 13 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.799 -0.132 18027 8269 1 13 . 1 1 9 9 ILE CA C 9 64.046 64.046 65.369 -1.323 18027 8270 1 13 . 1 1 9 9 ILE H H 9 8.405 8.405 8.735 -0.330 18027 8271 1 13 . 1 1 10 10 ALA N N 10 121.503 121.503 121.512 -0.009 18027 8272 1 13 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.133 -0.222 18027 8273 1 13 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.146 -2.489 18027 8274 1 13 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.245 -3.270 18027 8275 1 13 . 1 1 10 10 ALA H H 10 7.949 7.949 7.556 0.393 18027 8276 1 13 . 1 1 11 11 GLU N N 11 118.352 118.352 118.455 -0.103 18027 8277 1 13 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.174 -0.336 18027 8278 1 13 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.394 -1.721 18027 8279 1 13 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.772 -2.804 18027 8280 1 13 . 1 1 11 11 GLU H H 11 7.700 7.700 7.861 -0.161 18027 8281 1 13 . 1 1 12 12 PHE N N 12 117.277 117.277 121.578 -4.301 18027 8282 1 13 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.292 0.185 18027 8283 1 13 . 1 1 12 12 PHE CA C 12 59.655 59.655 60.922 -1.267 18027 8284 1 13 . 1 1 12 12 PHE CB C 12 35.535 35.535 38.877 -3.342 18027 8285 1 13 . 1 1 12 12 PHE H H 12 8.211 8.211 8.038 0.173 18027 8286 1 13 . 1 1 13 13 LYS N N 13 122.928 122.928 119.464 3.464 18027 8287 1 13 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.137 0.788 18027 8288 1 13 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.205 -2.051 18027 8289 1 13 . 1 1 13 13 LYS CB C 13 26.169 26.169 31.856 -5.687 18027 8290 1 13 . 1 1 13 13 LYS H H 13 8.925 8.925 7.391 1.534 18027 8291 1 13 . 1 1 14 14 GLU N N 14 119.706 119.706 117.516 2.190 18027 8292 1 13 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.103 -0.245 18027 8293 1 13 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.483 -2.147 18027 8294 1 13 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.791 -3.508 18027 8295 1 13 . 1 1 14 14 GLU H H 14 7.824 7.824 7.520 0.304 18027 8296 1 13 . 1 1 15 15 ALA N N 15 123.880 123.880 120.828 3.052 18027 8297 1 13 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.330 -0.463 18027 8298 1 13 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.279 -1.444 18027 8299 1 13 . 1 1 15 15 ALA CB C 15 15.203 15.203 19.003 -3.800 18027 8300 1 13 . 1 1 15 15 ALA H H 15 8.124 8.124 7.871 0.253 18027 8301 1 13 . 1 1 16 16 PHE N N 16 118.972 118.972 118.683 0.289 18027 8302 1 13 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.003 -0.871 18027 8303 1 13 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.955 -0.972 18027 8304 1 13 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.367 -2.918 18027 8305 1 13 . 1 1 16 16 PHE H H 16 8.446 8.446 8.143 0.303 18027 8306 1 13 . 1 1 17 17 SER N N 17 114.737 114.737 113.637 1.100 18027 8307 1 13 . 1 1 17 17 SER HA H 17 3.902 3.902 4.270 -0.368 18027 8308 1 13 . 1 1 17 17 SER CA C 17 58.999 58.999 60.727 -1.728 18027 8309 1 13 . 1 1 17 17 SER CB C 17 60.436 60.436 63.087 -2.651 18027 8310 1 13 . 1 1 17 17 SER H H 17 7.874 7.874 7.813 0.061 18027 8311 1 13 . 1 1 18 18 LEU N N 18 120.225 120.225 121.133 -0.908 18027 8312 1 13 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.112 -0.327 18027 8313 1 13 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.154 -2.425 18027 8314 1 13 . 1 1 18 18 LEU CB C 18 38.162 38.162 41.930 -3.768 18027 8315 1 13 . 1 1 18 18 LEU H H 18 7.183 7.183 7.398 -0.215 18027 8316 1 13 . 1 1 19 19 PHE N N 19 112.357 112.357 112.972 -0.615 18027 8317 1 13 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.728 -2.304 18027 8318 1 13 . 1 1 19 19 PHE H H 19 6.977 6.977 7.475 -0.498 18027 8319 1 13 . 1 1 20 20 ASP N N 20 117.274 117.274 120.324 -3.050 18027 8320 1 13 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.796 -0.364 18027 8321 1 13 . 1 1 20 20 ASP CA C 20 49.512 49.512 53.290 -3.778 18027 8322 1 13 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.049 -3.372 18027 8323 1 13 . 1 1 20 20 ASP H H 20 7.446 7.446 7.650 -0.204 18027 8324 1 13 . 1 1 21 21 LYS N N 21 124.296 124.296 120.762 3.534 18027 8325 1 13 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.195 -0.357 18027 8326 1 13 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.634 -1.955 18027 8327 1 13 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.267 -2.672 18027 8328 1 13 . 1 1 21 21 LYS H H 21 7.520 7.520 7.907 -0.387 18027 8329 1 13 . 1 1 22 22 ASP N N 22 113.761 113.761 118.129 -4.368 18027 8330 1 13 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.722 -0.288 18027 8331 1 13 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.656 -4.595 18027 8332 1 13 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.694 -5.130 18027 8333 1 13 . 1 1 22 22 ASP H H 22 7.819 7.819 8.070 -0.251 18027 8334 1 13 . 1 1 23 23 GLY N N 23 108.838 108.838 107.419 1.419 18027 8335 1 13 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.850 -1.545 18027 8336 1 13 . 1 1 23 23 GLY H H 23 7.497 7.497 8.168 -0.671 18027 8337 1 13 . 1 1 24 24 ASP N N 24 120.790 120.790 120.046 0.744 18027 8338 1 13 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.722 -0.372 18027 8339 1 13 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.461 -3.608 18027 8340 1 13 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.881 -4.518 18027 8341 1 13 . 1 1 24 24 ASP H H 24 8.312 8.312 8.269 0.043 18027 8342 1 13 . 1 1 25 25 GLY N N 25 112.499 112.499 110.657 1.842 18027 8343 1 13 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.228 -2.808 18027 8344 1 13 . 1 1 25 25 GLY H H 25 10.352 10.352 8.195 2.157 18027 8345 1 13 . 1 1 26 26 THR N N 26 111.781 111.781 111.895 -0.114 18027 8346 1 13 . 1 1 26 26 THR HA H 26 5.316 5.316 5.708 -0.392 18027 8347 1 13 . 1 1 26 26 THR CA C 26 56.878 56.878 60.761 -3.883 18027 8348 1 13 . 1 1 26 26 THR CB C 26 70.031 70.031 72.248 -2.216 18027 8349 1 13 . 1 1 26 26 THR H H 26 8.018 8.018 8.977 -0.959 18027 8350 1 13 . 1 1 27 27 ILE N N 27 126.162 126.162 123.628 2.534 18027 8351 1 13 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.425 0.233 18027 8352 1 13 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.088 -1.611 18027 8353 1 13 . 1 1 27 27 ILE CB C 27 37.572 37.572 38.754 -1.182 18027 8354 1 13 . 1 1 27 27 ILE H H 27 9.769 9.769 8.672 1.097 18027 8355 1 13 . 1 1 28 28 THR N N 28 116.311 116.311 123.248 -6.937 18027 8356 1 13 . 1 1 28 28 THR HA H 28 4.669 4.669 5.033 -0.364 18027 8357 1 13 . 1 1 28 28 THR CA C 28 56.878 56.878 62.670 -5.792 18027 8358 1 13 . 1 1 28 28 THR CB C 28 69.688 69.688 69.787 -0.099 18027 8359 1 13 . 1 1 28 28 THR H H 28 8.302 8.302 8.238 0.064 18027 8360 1 13 . 1 1 29 29 THR N N 29 112.465 112.465 115.111 -2.646 18027 8361 1 13 . 1 1 29 29 THR HA H 29 3.633 3.633 3.976 -0.343 18027 8362 1 13 . 1 1 29 29 THR CA C 29 63.820 63.820 66.297 -2.477 18027 8363 1 13 . 1 1 29 29 THR CB C 29 65.160 65.160 68.408 -3.248 18027 8364 1 13 . 1 1 29 29 THR H H 29 9.078 9.078 8.789 0.289 18027 8365 1 13 . 1 1 30 30 LYS N N 30 120.792 120.792 121.275 -0.483 18027 8366 1 13 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.126 -0.171 18027 8367 1 13 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.295 -2.726 18027 8368 1 13 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.259 -1.664 18027 8369 1 13 . 1 1 30 30 LYS H H 30 7.467 7.467 8.490 -1.023 18027 8370 1 13 . 1 1 31 31 GLU N N 31 121.359 121.359 120.478 0.881 18027 8371 1 13 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.108 -0.202 18027 8372 1 13 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.995 -2.318 18027 8373 1 13 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.212 -2.130 18027 8374 1 13 . 1 1 31 31 GLU H H 31 7.574 7.574 8.208 -0.634 18027 8375 1 13 . 1 1 32 32 LEU N N 32 120.087 120.087 120.688 -0.601 18027 8376 1 13 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.328 -0.271 18027 8377 1 13 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.787 -2.215 18027 8378 1 13 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.108 -2.256 18027 8379 1 13 . 1 1 32 32 LEU H H 32 8.712 8.712 7.782 0.930 18027 8380 1 13 . 1 1 33 33 GLY N N 33 105.634 105.634 105.188 0.446 18027 8381 1 13 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.286 -1.649 18027 8382 1 13 . 1 1 33 33 GLY H H 33 8.696 8.696 7.760 0.936 18027 8383 1 13 . 1 1 34 34 THR N N 34 117.265 117.265 118.297 -1.032 18027 8384 1 13 . 1 1 34 34 THR HA H 34 3.810 3.810 3.949 -0.139 18027 8385 1 13 . 1 1 34 34 THR CA C 34 64.259 64.259 67.176 -2.917 18027 8386 1 13 . 1 1 34 34 THR CB C 34 66.033 66.033 68.527 -2.494 18027 8387 1 13 . 1 1 34 34 THR H H 34 7.785 7.785 7.927 -0.142 18027 8388 1 13 . 1 1 35 35 VAL N N 35 121.498 121.498 120.430 1.068 18027 8389 1 13 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.750 -0.349 18027 8390 1 13 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.026 -0.718 18027 8391 1 13 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.743 -2.947 18027 8392 1 13 . 1 1 35 35 VAL H H 35 7.268 7.268 7.293 -0.025 18027 8393 1 13 . 1 1 36 36 MET N N 36 117.302 117.302 119.194 -1.892 18027 8394 1 13 . 1 1 36 36 MET HA H 36 3.842 3.842 4.306 -0.464 18027 8395 1 13 . 1 1 36 36 MET CA C 36 56.606 56.606 56.078 0.528 18027 8396 1 13 . 1 1 36 36 MET CB C 36 28.453 28.453 31.780 -3.327 18027 8397 1 13 . 1 1 36 36 MET H H 36 8.487 8.487 7.818 0.669 18027 8398 1 13 . 1 1 37 37 ARG N N 37 118.262 118.262 117.928 0.334 18027 8399 1 13 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.345 0.312 18027 8400 1 13 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.586 -2.106 18027 8401 1 13 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.307 -3.567 18027 8402 1 13 . 1 1 37 37 ARG H H 37 8.330 8.330 7.704 0.626 18027 8403 1 13 . 1 1 38 38 SER N N 38 117.873 117.873 112.391 5.482 18027 8404 1 13 . 1 1 38 38 SER H H 38 7.815 7.815 7.497 0.318 18027 8405 1 13 . 1 1 39 39 LEU N N 39 117.970 117.970 118.653 -0.683 18027 8406 1 13 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.355 -0.283 18027 8407 1 13 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.107 -3.669 18027 8408 1 13 . 1 1 39 39 LEU CB C 39 38.162 38.162 41.841 -3.679 18027 8409 1 13 . 1 1 39 39 LEU H H 39 7.326 7.326 7.862 -0.536 18027 8410 1 13 . 1 1 40 40 GLY N N 40 106.755 106.755 105.445 1.310 18027 8411 1 13 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.654 -1.990 18027 8412 1 13 . 1 1 40 40 GLY H H 40 7.636 7.636 7.601 0.035 18027 8413 1 13 . 1 1 41 41 GLN N N 41 118.316 118.316 119.926 -1.610 18027 8414 1 13 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.513 -0.228 18027 8415 1 13 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.618 -3.765 18027 8416 1 13 . 1 1 41 41 GLN CB C 41 27.311 27.311 32.044 -4.733 18027 8417 1 13 . 1 1 41 41 GLN H H 41 7.827 7.827 7.690 0.137 18027 8418 1 13 . 1 1 42 42 ASN N N 42 115.866 115.866 120.481 -4.615 18027 8419 1 13 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.086 -0.073 18027 8420 1 13 . 1 1 42 42 ASN CA C 42 48.562 48.562 50.615 -2.054 18027 8421 1 13 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.543 -3.225 18027 8422 1 13 . 1 1 42 42 ASN H H 42 8.557 8.557 8.697 -0.140 18027 8423 1 13 . 1 1 44 44 THR N N 44 113.035 113.035 114.696 -1.661 18027 8424 1 13 . 1 1 44 44 THR HA H 44 4.296 4.296 4.482 -0.186 18027 8425 1 13 . 1 1 44 44 THR CA C 44 57.922 57.922 60.416 -2.494 18027 8426 1 13 . 1 1 44 44 THR CB C 44 68.317 68.317 70.650 -2.333 18027 8427 1 13 . 1 1 44 44 THR H H 44 8.694 8.694 8.002 0.692 18027 8428 1 13 . 1 1 45 45 GLU N N 45 120.283 120.283 121.401 -1.118 18027 8429 1 13 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.062 -0.166 18027 8430 1 13 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.624 -2.268 18027 8431 1 13 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.343 -3.627 18027 8432 1 13 . 1 1 45 45 GLU H H 45 8.687 8.687 8.905 -0.218 18027 8433 1 13 . 1 1 46 46 ALA N N 46 120.685 120.685 121.688 -1.003 18027 8434 1 13 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.200 -0.330 18027 8435 1 13 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.767 -2.451 18027 8436 1 13 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.108 -3.019 18027 8437 1 13 . 1 1 46 46 ALA H H 46 8.153 8.153 8.291 -0.138 18027 8438 1 13 . 1 1 47 47 GLU N N 47 118.546 118.546 118.231 0.315 18027 8439 1 13 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.178 -0.319 18027 8440 1 13 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.973 -2.465 18027 8441 1 13 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.320 -2.579 18027 8442 1 13 . 1 1 47 47 GLU H H 47 7.554 7.554 8.412 -0.858 18027 8443 1 13 . 1 1 48 48 LEU N N 48 120.085 120.085 119.975 0.110 18027 8444 1 13 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.106 -0.166 18027 8445 1 13 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.832 -2.464 18027 8446 1 13 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.929 -2.510 18027 8447 1 13 . 1 1 48 48 LEU H H 48 8.247 8.247 8.140 0.107 18027 8448 1 13 . 1 1 49 49 GLN N N 49 118.119 118.119 117.403 0.716 18027 8449 1 13 . 1 1 49 49 GLN HA H 49 3.913 3.913 3.997 -0.084 18027 8450 1 13 . 1 1 49 49 GLN CA C 49 56.703 56.703 59.004 -2.301 18027 8451 1 13 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.463 -2.066 18027 8452 1 13 . 1 1 49 49 GLN H H 49 7.891 7.891 7.915 -0.024 18027 8453 1 13 . 1 1 50 50 ASP N N 50 119.263 119.263 120.657 -1.394 18027 8454 1 13 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.463 -0.284 18027 8455 1 13 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.829 -1.953 18027 8456 1 13 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.936 -3.688 18027 8457 1 13 . 1 1 50 50 ASP H H 50 7.803 7.803 7.625 0.178 18027 8458 1 13 . 1 1 51 51 MET N N 51 120.178 120.178 117.081 3.097 18027 8459 1 13 . 1 1 51 51 MET HA H 51 3.966 3.966 4.180 -0.214 18027 8460 1 13 . 1 1 51 51 MET CA C 51 57.074 57.074 58.835 -1.761 18027 8461 1 13 . 1 1 51 51 MET CB C 51 29.975 29.975 33.282 -3.307 18027 8462 1 13 . 1 1 51 51 MET H H 51 7.831 7.831 7.421 0.410 18027 8463 1 13 . 1 1 52 52 ILE N N 52 116.856 116.856 120.391 -3.535 18027 8464 1 13 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.722 -0.374 18027 8465 1 13 . 1 1 52 52 ILE CA C 52 61.675 61.675 63.885 -2.210 18027 8466 1 13 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.579 -3.757 18027 8467 1 13 . 1 1 52 52 ILE H H 52 7.703 7.703 7.779 -0.076 18027 8468 1 13 . 1 1 53 53 ASN N N 53 117.417 117.417 117.363 0.054 18027 8469 1 13 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.511 -0.258 18027 8470 1 13 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.747 -2.706 18027 8471 1 13 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.294 -3.216 18027 8472 1 13 . 1 1 53 53 ASN H H 53 8.187 8.187 8.037 0.150 18027 8473 1 13 . 1 1 54 54 GLU N N 54 116.996 116.996 118.334 -1.338 18027 8474 1 13 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.191 -0.332 18027 8475 1 13 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.721 -2.847 18027 8476 1 13 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.409 -4.012 18027 8477 1 13 . 1 1 54 54 GLU H H 54 7.391 7.391 7.664 -0.273 18027 8478 1 13 . 1 1 55 55 VAL N N 55 114.596 114.596 114.775 -0.179 18027 8479 1 13 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.158 -0.171 18027 8480 1 13 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.496 -3.551 18027 8481 1 13 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.817 -2.079 18027 8482 1 13 . 1 1 55 55 VAL H H 55 7.151 7.151 7.572 -0.421 18027 8483 1 13 . 1 1 56 56 ASP N N 56 119.670 119.670 122.528 -2.858 18027 8484 1 13 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.498 -0.181 18027 8485 1 13 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.633 -4.277 18027 8486 1 13 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.022 -3.431 18027 8487 1 13 . 1 1 56 56 ASP H H 56 7.913 7.913 8.308 -0.395 18027 8488 1 13 . 1 1 57 57 ALA N N 57 131.491 131.491 128.208 3.283 18027 8489 1 13 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.158 -0.057 18027 8490 1 13 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.540 -2.357 18027 8491 1 13 . 1 1 57 57 ALA H H 57 8.126 8.126 8.700 -0.574 18027 8492 1 13 . 1 1 58 58 ASP N N 58 114.255 114.255 117.749 -3.494 18027 8493 1 13 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.630 -0.196 18027 8494 1 13 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.600 -4.640 18027 8495 1 13 . 1 1 58 58 ASP CB C 58 36.563 36.563 42.055 -5.492 18027 8496 1 13 . 1 1 58 58 ASP H H 58 8.130 8.130 8.119 0.011 18027 8497 1 13 . 1 1 59 59 GLY N N 59 108.987 108.987 108.227 0.760 18027 8498 1 13 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.304 -1.008 18027 8499 1 13 . 1 1 59 59 GLY H H 59 7.504 7.504 8.754 -1.250 18027 8500 1 13 . 1 1 60 60 ASN N N 60 118.770 118.770 118.531 0.239 18027 8501 1 13 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.859 -0.430 18027 8502 1 13 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.639 -2.780 18027 8503 1 13 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.378 -5.871 18027 8504 1 13 . 1 1 60 60 ASN H H 60 8.095 8.095 8.582 -0.487 18027 8505 1 13 . 1 1 61 61 GLY N N 61 112.773 112.773 109.367 3.406 18027 8506 1 13 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.358 -2.647 18027 8507 1 13 . 1 1 61 61 GLY H H 61 10.280 10.280 8.881 1.399 18027 8508 1 13 . 1 1 62 62 THR N N 62 108.117 108.117 111.029 -2.912 18027 8509 1 13 . 1 1 62 62 THR HA H 62 4.672 4.672 4.987 -0.315 18027 8510 1 13 . 1 1 62 62 THR CA C 62 56.878 56.878 60.034 -3.156 18027 8511 1 13 . 1 1 62 62 THR CB C 62 69.688 69.688 71.660 -1.972 18027 8512 1 13 . 1 1 62 62 THR H H 62 7.475 7.475 7.656 -0.181 18027 8513 1 13 . 1 1 63 63 ILE N N 63 122.642 122.642 122.286 0.356 18027 8514 1 13 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.381 0.415 18027 8515 1 13 . 1 1 63 63 ILE CA C 63 57.812 57.812 59.990 -2.178 18027 8516 1 13 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.103 -3.740 18027 8517 1 13 . 1 1 63 63 ILE H H 63 8.449 8.449 8.331 0.118 18027 8518 1 13 . 1 1 64 64 ASP N N 64 128.633 128.633 126.502 2.131 18027 8519 1 13 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.345 -0.029 18027 8520 1 13 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.239 -3.959 18027 8521 1 13 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.689 -3.928 18027 8522 1 13 . 1 1 64 64 ASP H H 64 9.011 9.011 8.465 0.546 18027 8523 1 13 . 1 1 65 65 PHE N N 65 118.892 118.892 116.537 2.355 18027 8524 1 13 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.644 -0.877 18027 8525 1 13 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.603 -0.390 18027 8526 1 13 . 1 1 65 65 PHE H H 65 8.766 8.766 8.346 0.420 18027 8527 1 13 . 1 1 67 67 GLU N N 67 118.675 118.675 114.894 3.781 18027 8528 1 13 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.226 -0.389 18027 8529 1 13 . 1 1 67 67 GLU CA C 67 56.605 56.605 56.439 0.166 18027 8530 1 13 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.353 -1.956 18027 8531 1 13 . 1 1 67 67 GLU H H 67 7.487 7.487 8.338 -0.851 18027 8532 1 13 . 1 1 68 68 PHE N N 68 123.182 123.182 121.811 1.371 18027 8533 1 13 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.248 -0.580 18027 8534 1 13 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.986 -3.557 18027 8535 1 13 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.787 -2.196 18027 8536 1 13 . 1 1 68 68 PHE H H 68 8.066 8.066 7.668 0.398 18027 8537 1 13 . 1 1 69 69 LEU N N 69 119.530 119.530 113.281 6.249 18027 8538 1 13 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.327 -0.372 18027 8539 1 13 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.094 -1.320 18027 8540 1 13 . 1 1 69 69 LEU CB C 69 39.419 39.419 40.251 -0.832 18027 8541 1 13 . 1 1 69 69 LEU H H 69 8.672 8.672 8.523 0.149 18027 8542 1 13 . 1 1 70 70 THR N N 70 113.765 113.765 116.313 -2.548 18027 8543 1 13 . 1 1 70 70 THR HA H 70 3.806 3.806 3.989 -0.183 18027 8544 1 13 . 1 1 70 70 THR CA C 70 63.861 63.861 66.715 -2.854 18027 8545 1 13 . 1 1 70 70 THR CB C 70 66.147 66.147 68.528 -2.380 18027 8546 1 13 . 1 1 70 70 THR H H 70 7.909 7.909 7.263 0.646 18027 8547 1 13 . 1 1 71 71 MET N N 71 119.518 119.518 120.021 -0.503 18027 8548 1 13 . 1 1 71 71 MET HA H 71 3.881 3.881 4.129 -0.248 18027 8549 1 13 . 1 1 71 71 MET CA C 71 56.106 56.106 58.521 -2.415 18027 8550 1 13 . 1 1 71 71 MET CB C 71 29.595 29.595 32.571 -2.975 18027 8551 1 13 . 1 1 71 71 MET H H 71 7.120 7.120 7.508 -0.388 18027 8552 1 13 . 1 1 72 72 MET N N 72 116.280 116.280 118.896 -2.616 18027 8553 1 13 . 1 1 72 72 MET HA H 72 3.817 3.817 4.093 -0.276 18027 8554 1 13 . 1 1 72 72 MET CA C 72 55.111 55.111 58.780 -3.669 18027 8555 1 13 . 1 1 72 72 MET CB C 72 27.892 27.892 32.914 -5.022 18027 8556 1 13 . 1 1 72 72 MET H H 72 7.737 7.737 7.687 0.050 18027 8557 1 13 . 1 1 73 73 ALA N N 73 119.984 119.984 118.889 1.095 18027 8558 1 13 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.154 -0.316 18027 8559 1 13 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.857 -2.045 18027 8560 1 13 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.376 -3.173 18027 8561 1 13 . 1 1 73 73 ALA H H 73 8.322 8.322 7.650 0.672 18027 8562 1 13 . 1 1 74 74 ARG N N 74 116.354 116.354 118.899 -2.545 18027 8563 1 13 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.151 -0.313 18027 8564 1 13 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.995 -3.038 18027 8565 1 13 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.435 -5.180 18027 8566 1 13 . 1 1 74 74 ARG H H 74 7.264 7.264 7.446 -0.182 18027 8567 1 13 . 1 1 75 75 LYS N N 75 120.084 120.084 118.602 1.482 18027 8568 1 13 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.392 -0.444 18027 8569 1 13 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.459 -2.600 18027 8570 1 13 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.020 -3.339 18027 8571 1 13 . 1 1 75 75 LYS H H 75 7.756 7.756 7.622 0.134 18027 8572 1 13 . 1 1 76 76 MET N N 76 117.139 117.139 117.945 -0.806 18027 8573 1 13 . 1 1 76 76 MET HA H 76 4.168 4.168 4.401 -0.233 18027 8574 1 13 . 1 1 76 76 MET CA C 76 54.704 54.704 56.514 -1.810 18027 8575 1 13 . 1 1 76 76 MET CB C 76 30.052 30.052 32.356 -2.304 18027 8576 1 13 . 1 1 76 76 MET H H 76 7.985 7.985 7.512 0.473 18027 8577 1 13 . 1 1 77 77 LYS N N 77 116.614 116.614 117.569 -0.955 18027 8578 1 13 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.411 -0.190 18027 8579 1 13 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.185 -3.001 18027 8580 1 13 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.770 -6.487 18027 8581 1 13 . 1 1 77 77 LYS H H 77 7.275 7.275 7.428 -0.153 18027 8582 1 13 . 1 1 78 78 ASP N N 78 123.187 123.187 120.253 2.934 18027 8583 1 13 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.772 -0.321 18027 8584 1 13 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.670 -2.938 18027 8585 1 13 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.397 -3.006 18027 8586 1 13 . 1 1 78 78 ASP H H 78 8.181 8.181 7.743 0.438 18027 8587 1 13 . 1 1 79 79 THR N N 79 114.325 114.325 110.101 4.224 18027 8588 1 13 . 1 1 79 79 THR HA H 79 4.034 4.034 3.960 0.074 18027 8589 1 13 . 1 1 79 79 THR CA C 79 61.322 61.322 64.063 -2.741 18027 8590 1 13 . 1 1 79 79 THR CB C 79 66.147 66.147 67.381 -1.234 18027 8591 1 13 . 1 1 79 79 THR H H 79 8.377 8.377 7.926 0.451 18027 8592 1 13 . 1 1 80 80 ASP N N 80 120.844 120.844 119.962 0.882 18027 8593 1 13 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.838 -0.533 18027 8594 1 13 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.756 -3.084 18027 8595 1 13 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.846 -3.255 18027 8596 1 13 . 1 1 80 80 ASP H H 80 8.223 8.223 8.533 -0.310 18027 8597 1 13 . 1 1 81 81 SER N N 81 115.729 115.729 114.477 1.252 18027 8598 1 13 . 1 1 81 81 SER HA H 81 3.911 3.911 4.495 -0.584 18027 8599 1 13 . 1 1 81 81 SER CA C 81 57.939 57.939 59.748 -1.809 18027 8600 1 13 . 1 1 81 81 SER CB C 81 60.664 60.664 62.756 -2.092 18027 8601 1 13 . 1 1 81 81 SER H H 81 7.785 7.785 8.354 -0.569 18027 8602 1 13 . 1 1 82 82 GLU N N 82 121.960 121.960 122.844 -0.884 18027 8603 1 13 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.066 -0.170 18027 8604 1 13 . 1 1 82 82 GLU CA C 82 56.829 56.829 59.069 -2.240 18027 8605 1 13 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.411 -2.786 18027 8606 1 13 . 1 1 82 82 GLU H H 82 8.208 8.208 8.575 -0.367 18027 8607 1 13 . 1 1 83 83 GLU N N 83 118.040 118.040 117.577 0.463 18027 8608 1 13 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.129 -0.291 18027 8609 1 13 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.845 -2.900 18027 8610 1 13 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.219 -2.387 18027 8611 1 13 . 1 1 83 83 GLU H H 83 7.898 7.898 7.866 0.032 18027 8612 1 13 . 1 1 84 84 GLU N N 84 118.825 118.825 120.280 -1.455 18027 8613 1 13 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.534 -3.776 18027 8614 1 13 . 1 1 84 84 GLU CB C 84 30.852 30.852 30.052 0.800 18027 8615 1 13 . 1 1 84 84 GLU H H 84 8.154 8.154 7.406 0.748 18027 8616 1 13 . 1 1 85 85 ILE N N 85 119.310 119.310 118.834 0.476 18027 8617 1 13 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.857 -0.090 18027 8618 1 13 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.499 -4.641 18027 8619 1 13 . 1 1 85 85 ILE CB C 85 35.649 35.649 38.014 -2.365 18027 8620 1 13 . 1 1 85 85 ILE H H 85 7.793 7.793 7.447 0.346 18027 8621 1 13 . 1 1 86 86 ARG N N 86 120.640 120.640 118.992 1.648 18027 8622 1 13 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.887 0.038 18027 8623 1 13 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.058 -1.793 18027 8624 1 13 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.261 -2.407 18027 8625 1 13 . 1 1 86 86 ARG H H 86 8.177 8.177 7.809 0.368 18027 8626 1 13 . 1 1 87 87 GLU N N 87 119.448 119.448 119.296 0.152 18027 8627 1 13 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.196 -0.344 18027 8628 1 13 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.416 -1.773 18027 8629 1 13 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.520 -3.466 18027 8630 1 13 . 1 1 87 87 GLU H H 87 7.828 7.828 7.595 0.233 18027 8631 1 13 . 1 1 88 88 ALA N N 88 122.592 122.592 121.969 0.623 18027 8632 1 13 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.328 -0.300 18027 8633 1 13 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.380 -1.784 18027 8634 1 13 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.555 -3.923 18027 8635 1 13 . 1 1 88 88 ALA H H 88 8.283 8.283 7.788 0.495 18027 8636 1 13 . 1 1 89 89 PHE N N 89 119.245 119.245 118.811 0.434 18027 8637 1 13 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.034 -0.920 18027 8638 1 13 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.554 -2.009 18027 8639 1 13 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.559 -3.224 18027 8640 1 13 . 1 1 89 89 PHE H H 89 8.423 8.423 7.630 0.793 18027 8641 1 13 . 1 1 90 90 ARG N N 90 117.455 117.455 118.558 -1.103 18027 8642 1 13 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.217 -0.368 18027 8643 1 13 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.023 -2.710 18027 8644 1 13 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.821 -2.624 18027 8645 1 13 . 1 1 90 90 ARG H H 90 7.840 7.840 7.762 0.078 18027 8646 1 13 . 1 1 91 91 VAL N N 91 118.698 118.698 118.325 0.373 18027 8647 1 13 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.833 -0.581 18027 8648 1 13 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.445 -1.112 18027 8649 1 13 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.124 -3.014 18027 8650 1 13 . 1 1 91 91 VAL H H 91 7.262 7.262 7.496 -0.234 18027 8651 1 13 . 1 1 92 92 PHE N N 92 112.495 112.495 117.601 -5.106 18027 8652 1 13 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.354 -0.420 18027 8653 1 13 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.419 -3.239 18027 8654 1 13 . 1 1 92 92 PHE CB C 92 39.419 39.419 40.026 -0.607 18027 8655 1 13 . 1 1 92 92 PHE H H 92 6.693 6.693 7.452 -0.759 18027 8656 1 13 . 1 1 93 93 ASP N N 93 117.214 117.214 118.876 -1.662 18027 8657 1 13 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.666 -0.232 18027 8658 1 13 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.628 -2.847 18027 8659 1 13 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.245 -2.796 18027 8660 1 13 . 1 1 93 93 ASP H H 93 7.954 7.954 8.115 -0.161 18027 8661 1 13 . 1 1 94 94 LYS N N 94 125.565 125.565 123.362 2.203 18027 8662 1 13 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.299 -0.520 18027 8663 1 13 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.698 -3.019 18027 8664 1 13 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.611 -3.016 18027 8665 1 13 . 1 1 94 94 LYS H H 94 7.671 7.671 7.967 -0.296 18027 8666 1 13 . 1 1 95 95 ASP N N 95 114.041 114.041 116.473 -2.432 18027 8667 1 13 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.836 -0.428 18027 8668 1 13 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.547 -3.334 18027 8669 1 13 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.252 -4.689 18027 8670 1 13 . 1 1 95 95 ASP H H 95 7.944 7.944 8.066 -0.122 18027 8671 1 13 . 1 1 96 96 GLY N N 96 108.849 108.849 108.401 0.448 18027 8672 1 13 . 1 1 96 96 GLY CA C 96 44.199 44.199 46.095 -1.896 18027 8673 1 13 . 1 1 96 96 GLY H H 96 7.529 7.529 7.753 -0.224 18027 8674 1 13 . 1 1 97 97 ASN N N 97 119.410 119.410 119.872 -0.462 18027 8675 1 13 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.722 -0.298 18027 8676 1 13 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.247 -3.564 18027 8677 1 13 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.640 -2.077 18027 8678 1 13 . 1 1 97 97 ASN H H 97 8.234 8.234 8.463 -0.229 18027 8679 1 13 . 1 1 98 98 GLY N N 98 112.073 112.073 106.254 5.819 18027 8680 1 13 . 1 1 98 98 GLY CA C 98 42.176 42.176 46.099 -3.923 18027 8681 1 13 . 1 1 98 98 GLY H H 98 10.298 10.298 8.555 1.743 18027 8682 1 13 . 1 1 99 99 TYR N N 99 116.011 116.011 118.276 -2.265 18027 8683 1 13 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.068 -0.250 18027 8684 1 13 . 1 1 99 99 TYR CA C 99 53.681 53.681 56.979 -3.298 18027 8685 1 13 . 1 1 99 99 TYR CB C 99 39.875 39.875 42.078 -2.203 18027 8686 1 13 . 1 1 99 99 TYR H H 99 7.497 7.497 7.684 -0.187 18027 8687 1 13 . 1 1 100 100 ILE N N 100 126.793 126.793 120.752 6.041 18027 8688 1 13 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.264 0.159 18027 8689 1 13 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.713 -2.084 18027 8690 1 13 . 1 1 100 100 ILE CB C 100 35.748 35.748 39.833 -4.085 18027 8691 1 13 . 1 1 100 100 ILE H H 100 9.833 9.833 8.720 1.113 18027 8692 1 13 . 1 1 101 101 SER N N 101 123.825 123.825 123.237 0.588 18027 8693 1 13 . 1 1 101 101 SER HA H 101 4.657 4.657 4.622 0.035 18027 8694 1 13 . 1 1 101 101 SER CA C 101 53.060 53.060 57.068 -4.008 18027 8695 1 13 . 1 1 101 101 SER CB C 101 64.091 64.091 64.727 -0.636 18027 8696 1 13 . 1 1 101 101 SER H H 101 8.870 8.870 8.862 0.008 18027 8697 1 13 . 1 1 102 102 ALA N N 102 122.909 122.909 129.144 -6.235 18027 8698 1 13 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.116 -0.352 18027 8699 1 13 . 1 1 102 102 ALA CA C 102 53.050 53.050 54.996 -1.946 18027 8700 1 13 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.657 -3.682 18027 8701 1 13 . 1 1 102 102 ALA H H 102 9.209 9.209 9.122 0.087 18027 8702 1 13 . 1 1 103 103 ALA N N 103 118.692 118.692 120.429 -1.737 18027 8703 1 13 . 1 1 103 103 ALA HA H 103 3.874 3.874 3.991 -0.117 18027 8704 1 13 . 1 1 103 103 ALA CA C 103 52.485 52.485 55.163 -2.678 18027 8705 1 13 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.289 -3.086 18027 8706 1 13 . 1 1 103 103 ALA H H 103 8.146 8.146 7.910 0.236 18027 8707 1 13 . 1 1 104 104 GLU N N 104 120.098 120.098 118.737 1.361 18027 8708 1 13 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.167 -0.304 18027 8709 1 13 . 1 1 104 104 GLU CA C 104 56.575 56.575 59.284 -2.709 18027 8710 1 13 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.663 -4.294 18027 8711 1 13 . 1 1 104 104 GLU H H 104 7.832 7.832 8.175 -0.343 18027 8712 1 13 . 1 1 105 105 LEU N N 105 121.466 121.466 118.209 3.257 18027 8713 1 13 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.454 -0.338 18027 8714 1 13 . 1 1 105 105 LEU CA C 105 55.696 55.696 58.116 -2.420 18027 8715 1 13 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.786 -2.824 18027 8716 1 13 . 1 1 105 105 LEU H H 105 8.300 8.300 7.601 0.699 18027 8717 1 13 . 1 1 106 106 ARG N N 106 118.978 118.978 119.325 -0.347 18027 8718 1 13 . 1 1 106 106 ARG HA H 106 3.852 3.852 4.067 -0.215 18027 8719 1 13 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.218 -1.784 18027 8720 1 13 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.643 -2.559 18027 8721 1 13 . 1 1 106 106 ARG H H 106 8.882 8.882 8.422 0.460 18027 8722 1 13 . 1 1 107 107 HIS N N 107 118.543 118.543 119.357 -0.814 18027 8723 1 13 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.344 -0.144 18027 8724 1 13 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.716 -2.891 18027 8725 1 13 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.930 -3.191 18027 8726 1 13 . 1 1 107 107 HIS H H 107 7.991 7.991 7.899 0.092 18027 8727 1 13 . 1 1 108 108 VAL N N 108 118.687 118.687 118.651 0.036 18027 8728 1 13 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.693 -0.601 18027 8729 1 13 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.237 -2.027 18027 8730 1 13 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.452 -2.542 18027 8731 1 13 . 1 1 108 108 VAL H H 108 7.425 7.425 7.638 -0.213 18027 8732 1 13 . 1 1 109 109 MET N N 109 115.725 115.725 116.835 -1.110 18027 8733 1 13 . 1 1 109 109 MET HA H 109 3.944 3.944 4.288 -0.344 18027 8734 1 13 . 1 1 109 109 MET CA C 109 55.212 55.212 58.089 -2.877 18027 8735 1 13 . 1 1 109 109 MET CB C 109 27.425 27.425 32.450 -5.025 18027 8736 1 13 . 1 1 109 109 MET H H 109 7.972 7.972 7.444 0.528 18027 8737 1 13 . 1 1 110 110 THR N N 110 116.999 116.999 114.408 2.591 18027 8738 1 13 . 1 1 110 110 THR HA H 110 3.852 3.852 4.426 -0.574 18027 8739 1 13 . 1 1 110 110 THR CA C 110 63.918 63.918 64.602 -0.684 18027 8740 1 13 . 1 1 110 110 THR CB C 110 65.844 65.844 68.550 -2.706 18027 8741 1 13 . 1 1 110 110 THR H H 110 8.691 8.691 8.201 0.490 18027 8742 1 13 . 1 1 111 111 ASN N N 111 123.893 123.893 120.536 3.357 18027 8743 1 13 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.456 -0.215 18027 8744 1 13 . 1 1 111 111 ASN CA C 111 52.949 52.949 54.992 -2.043 18027 8745 1 13 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.509 -3.545 18027 8746 1 13 . 1 1 111 111 ASN H H 111 7.911 7.911 8.035 -0.124 18027 8747 1 13 . 1 1 112 112 LEU N N 112 119.244 119.244 119.228 0.016 18027 8748 1 13 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.231 -0.159 18027 8749 1 13 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.146 -2.245 18027 8750 1 13 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.349 -2.816 18027 8751 1 13 . 1 1 112 112 LEU H H 112 7.618 7.618 7.438 0.180 18027 8752 1 13 . 1 1 113 113 GLY N N 113 107.263 107.263 107.445 -0.182 18027 8753 1 13 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.600 -2.163 18027 8754 1 13 . 1 1 113 113 GLY H H 113 7.743 7.743 7.412 0.331 18027 8755 1 13 . 1 1 114 114 GLU N N 114 120.073 120.073 119.926 0.147 18027 8756 1 13 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.549 -0.259 18027 8757 1 13 . 1 1 114 114 GLU CA C 114 51.526 51.526 55.096 -3.570 18027 8758 1 13 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.703 -5.165 18027 8759 1 13 . 1 1 114 114 GLU H H 114 7.857 7.857 7.775 0.082 18027 8760 1 13 . 1 1 115 115 LYS N N 115 124.142 124.142 124.398 -0.256 18027 8761 1 13 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.556 -0.336 18027 8762 1 13 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.983 -3.090 18027 8763 1 13 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.154 -3.673 18027 8764 1 13 . 1 1 115 115 LYS H H 115 8.377 8.377 8.518 -0.141 18027 8765 1 13 . 1 1 116 116 LEU N N 116 125.240 125.240 125.719 -0.479 18027 8766 1 13 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.603 -0.131 18027 8767 1 13 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.711 -2.273 18027 8768 1 13 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.438 -3.764 18027 8769 1 13 . 1 1 116 116 LEU H H 116 8.002 8.002 8.543 -0.541 18027 8770 1 13 . 1 1 117 117 THR N N 117 113.520 113.520 112.966 0.554 18027 8771 1 13 . 1 1 117 117 THR CA C 117 57.922 57.922 61.075 -3.153 18027 8772 1 13 . 1 1 117 117 THR CB C 117 68.352 68.352 70.903 -2.552 18027 8773 1 13 . 1 1 117 117 THR H H 117 8.927 8.927 8.544 0.383 18027 8774 1 13 . 1 1 118 118 ASP N N 118 120.859 120.859 122.774 -1.915 18027 8775 1 13 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.437 -0.394 18027 8776 1 13 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.960 -2.795 18027 8777 1 13 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.767 -3.993 18027 8778 1 13 . 1 1 118 118 ASP H H 118 8.754 8.754 8.839 -0.085 18027 8779 1 13 . 1 1 119 119 GLU N N 119 119.112 119.112 118.376 0.736 18027 8780 1 13 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.073 -0.146 18027 8781 1 13 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.904 -1.714 18027 8782 1 13 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.404 -3.121 18027 8783 1 13 . 1 1 119 119 GLU H H 119 8.507 8.507 8.729 -0.222 18027 8784 1 13 . 1 1 120 120 GLU N N 120 120.059 120.059 118.061 1.998 18027 8785 1 13 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.162 -0.304 18027 8786 1 13 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.283 -1.824 18027 8787 1 13 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.810 -2.293 18027 8788 1 13 . 1 1 120 120 GLU H H 120 7.809 7.809 8.057 -0.248 18027 8789 1 13 . 1 1 121 121 VAL N N 121 120.512 120.512 120.850 -0.338 18027 8790 1 13 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.666 -0.194 18027 8791 1 13 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.692 -2.610 18027 8792 1 13 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.634 -3.067 18027 8793 1 13 . 1 1 121 121 VAL H H 121 7.898 7.898 7.413 0.485 18027 8794 1 13 . 1 1 122 122 ASP N N 122 119.857 119.857 119.199 0.658 18027 8795 1 13 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.330 -0.162 18027 8796 1 13 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.503 -2.597 18027 8797 1 13 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.893 -3.416 18027 8798 1 13 . 1 1 122 122 ASP H H 122 7.897 7.897 7.917 -0.020 18027 8799 1 13 . 1 1 123 123 GLU N N 123 119.630 119.630 118.274 1.356 18027 8800 1 13 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.104 -0.266 18027 8801 1 13 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.581 -1.504 18027 8802 1 13 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.700 -3.531 18027 8803 1 13 . 1 1 123 123 GLU H H 123 7.963 7.963 7.655 0.308 18027 8804 1 13 . 1 1 124 124 MET N N 124 119.144 119.144 116.966 2.178 18027 8805 1 13 . 1 1 124 124 MET HA H 124 3.859 3.859 4.271 -0.412 18027 8806 1 13 . 1 1 124 124 MET CA C 124 56.508 56.508 57.349 -0.841 18027 8807 1 13 . 1 1 124 124 MET CB C 124 29.253 29.253 32.983 -3.731 18027 8808 1 13 . 1 1 124 124 MET H H 124 7.631 7.631 7.689 -0.058 18027 8809 1 13 . 1 1 125 125 ILE N N 125 117.557 117.557 119.899 -2.342 18027 8810 1 13 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.847 -0.563 18027 8811 1 13 . 1 1 125 125 ILE CA C 125 61.139 61.139 63.865 -2.726 18027 8812 1 13 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.661 -3.611 18027 8813 1 13 . 1 1 125 125 ILE H H 125 7.669 7.669 7.617 0.052 18027 8814 1 13 . 1 1 126 126 ARG N N 126 118.414 118.414 119.931 -1.517 18027 8815 1 13 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.154 -0.296 18027 8816 1 13 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.785 -1.983 18027 8817 1 13 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.717 -2.292 18027 8818 1 13 . 1 1 126 126 ARG H H 126 7.952 7.952 7.516 0.436 18027 8819 1 13 . 1 1 127 127 GLU N N 127 116.143 116.143 118.023 -1.880 18027 8820 1 13 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.263 -0.405 18027 8821 1 13 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.197 -1.982 18027 8822 1 13 . 1 1 127 127 GLU CB C 127 27.197 27.197 29.949 -2.752 18027 8823 1 13 . 1 1 127 127 GLU H H 127 7.294 7.294 8.169 -0.875 18027 8824 1 13 . 1 1 128 128 ALA N N 128 116.994 116.994 119.833 -2.839 18027 8825 1 13 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.386 0.067 18027 8826 1 13 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.950 -3.779 18027 8827 1 13 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.439 -0.666 18027 8828 1 13 . 1 1 128 128 ALA H H 128 7.110 7.110 7.051 0.059 18027 8829 1 13 . 1 1 129 129 ASP N N 129 117.846 117.846 121.703 -3.857 18027 8830 1 13 . 1 1 129 129 ASP HA H 129 4.442 4.442 5.239 -0.797 18027 8831 1 13 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.287 -2.654 18027 8832 1 13 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.834 -2.329 18027 8833 1 13 . 1 1 129 129 ASP H H 129 7.508 7.508 8.630 -1.122 18027 8834 1 13 . 1 1 130 130 ILE N N 130 128.118 128.118 121.404 6.714 18027 8835 1 13 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.064 -0.314 18027 8836 1 13 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.732 -3.149 18027 8837 1 13 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.169 -2.406 18027 8838 1 13 . 1 1 130 130 ILE H H 130 8.168 8.168 8.529 -0.361 18027 8839 1 13 . 1 1 131 131 ASP N N 131 116.572 116.572 120.452 -3.880 18027 8840 1 13 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.590 -0.294 18027 8841 1 13 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.732 -2.610 18027 8842 1 13 . 1 1 131 131 ASP CB C 131 37.477 37.477 41.082 -3.605 18027 8843 1 13 . 1 1 131 131 ASP H H 131 8.136 8.136 8.271 -0.135 18027 8844 1 13 . 1 1 132 132 GLY N N 132 108.411 108.411 109.369 -0.958 18027 8845 1 13 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.007 -1.500 18027 8846 1 13 . 1 1 132 132 GLY H H 132 7.460 7.460 8.315 -0.855 18027 8847 1 13 . 1 1 133 133 ASP N N 133 120.424 120.424 119.455 0.969 18027 8848 1 13 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.445 -0.149 18027 8849 1 13 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.556 -2.704 18027 8850 1 13 . 1 1 133 133 ASP H H 133 8.177 8.177 8.106 0.071 18027 8851 1 13 . 1 1 134 134 GLY N N 134 112.396 112.396 109.239 3.157 18027 8852 1 13 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.148 -2.095 18027 8853 1 13 . 1 1 134 134 GLY H H 134 10.043 10.043 8.019 2.024 18027 8854 1 13 . 1 1 135 135 GLN N N 135 115.588 115.588 118.659 -3.071 18027 8855 1 13 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.364 -0.560 18027 8856 1 13 . 1 1 135 135 GLN CA C 135 50.415 50.415 54.004 -3.589 18027 8857 1 13 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.410 -3.129 18027 8858 1 13 . 1 1 135 135 GLN H H 135 7.866 7.866 7.735 0.131 18027 8859 1 13 . 1 1 136 136 VAL N N 136 124.910 124.910 121.309 3.601 18027 8860 1 13 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.420 0.579 18027 8861 1 13 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.979 -2.272 18027 8862 1 13 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.241 -2.161 18027 8863 1 13 . 1 1 136 136 VAL H H 136 8.856 8.856 8.690 0.166 18027 8864 1 13 . 1 1 137 137 ASN N N 137 129.009 129.009 121.753 7.256 18027 8865 1 13 . 1 1 137 137 ASN HA H 137 5.173 5.173 4.901 0.272 18027 8866 1 13 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.540 -3.457 18027 8867 1 13 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.918 -5.284 18027 8868 1 13 . 1 1 137 137 ASN H H 137 9.390 9.390 8.531 0.859 18027 8869 1 13 . 1 1 138 138 TYR N N 138 118.471 118.471 120.813 -2.342 18027 8870 1 13 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.359 0.119 18027 8871 1 13 . 1 1 138 138 TYR CA C 138 59.799 59.799 61.244 -1.445 18027 8872 1 13 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.489 -1.954 18027 8873 1 13 . 1 1 138 138 TYR H H 138 8.075 8.075 8.559 -0.484 18027 8874 1 13 . 1 1 139 139 GLU N N 139 118.535 118.535 119.520 -0.985 18027 8875 1 13 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.012 -0.174 18027 8876 1 13 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.077 -1.545 18027 8877 1 13 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.809 -2.869 18027 8878 1 13 . 1 1 139 139 GLU H H 139 7.925 7.925 8.073 -0.148 18027 8879 1 13 . 1 1 140 140 GLU N N 140 119.583 119.583 119.034 0.549 18027 8880 1 13 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.119 -0.270 18027 8881 1 13 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.831 -2.749 18027 8882 1 13 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.455 -2.944 18027 8883 1 13 . 1 1 140 140 GLU H H 140 8.664 8.664 8.485 0.179 18027 8884 1 13 . 1 1 141 141 PHE N N 141 123.810 123.810 120.581 3.229 18027 8885 1 13 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.212 -0.491 18027 8886 1 13 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.553 -2.461 18027 8887 1 13 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.483 -1.778 18027 8888 1 13 . 1 1 141 141 PHE H H 141 8.395 8.395 8.414 -0.019 18027 8889 1 13 . 1 1 142 142 VAL N N 142 118.551 118.551 118.300 0.251 18027 8890 1 13 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.641 -0.549 18027 8891 1 13 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.164 -1.982 18027 8892 1 13 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.785 -2.989 18027 8893 1 13 . 1 1 142 142 VAL H H 142 8.484 8.484 8.081 0.403 18027 8894 1 13 . 1 1 143 143 GLN N N 143 119.672 119.672 118.712 0.960 18027 8895 1 13 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.158 -0.320 18027 8896 1 13 . 1 1 143 143 GLN CA C 143 56.273 56.273 57.992 -1.719 18027 8897 1 13 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.591 -3.679 18027 8898 1 13 . 1 1 143 143 GLN H H 143 7.803 7.803 7.633 0.170 18027 8899 1 13 . 1 1 144 144 MET N N 144 116.710 116.710 118.572 -1.862 18027 8900 1 13 . 1 1 144 144 MET HA H 144 3.943 3.943 4.090 -0.147 18027 8901 1 13 . 1 1 144 144 MET CA C 144 55.387 55.387 58.428 -3.041 18027 8902 1 13 . 1 1 144 144 MET CB C 144 29.709 29.709 32.344 -2.635 18027 8903 1 13 . 1 1 144 144 MET H H 144 7.322 7.322 7.419 -0.097 18027 8904 1 13 . 1 1 145 145 MET N N 145 114.879 114.879 113.404 1.475 18027 8905 1 13 . 1 1 145 145 MET HA H 145 4.062 4.062 4.541 -0.479 18027 8906 1 13 . 1 1 145 145 MET CA C 145 53.291 53.291 55.484 -2.193 18027 8907 1 13 . 1 1 145 145 MET CB C 145 29.253 29.253 32.760 -3.507 18027 8908 1 13 . 1 1 145 145 MET H H 145 7.467 7.467 7.584 -0.117 18027 8909 1 13 . 1 1 146 146 THR N N 146 108.698 108.698 110.440 -1.742 18027 8910 1 13 . 1 1 146 146 THR HA H 146 4.136 4.136 4.330 -0.194 18027 8911 1 13 . 1 1 146 146 THR CA C 146 59.201 59.201 61.798 -2.597 18027 8912 1 13 . 1 1 146 146 THR CB C 146 67.404 67.404 69.573 -2.169 18027 8913 1 13 . 1 1 146 146 THR H H 146 7.551 7.551 7.554 -0.003 18027 8914 1 13 . 1 1 147 147 ALA N N 147 126.669 126.669 125.098 1.571 18027 8915 1 13 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.435 -0.290 18027 8916 1 13 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.803 -1.730 18027 8917 1 13 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.999 -3.654 18027 8918 1 13 . 1 1 147 147 ALA H H 147 7.596 7.596 7.323 0.273 18027 8919 1 14 . 1 1 2 2 ASP N N 2 120.442 120.442 120.013 0.429 18027 8920 1 14 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.672 -0.219 18027 8921 1 14 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.770 -2.841 18027 8922 1 14 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.344 -2.840 18027 8923 1 14 . 1 1 2 2 ASP H H 2 8.521 8.521 8.505 0.016 18027 8924 1 14 . 1 1 3 3 GLN N N 3 119.769 119.769 118.956 0.813 18027 8925 1 14 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.452 -0.234 18027 8926 1 14 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.166 -2.480 18027 8927 1 14 . 1 1 3 3 GLN H H 3 8.199 8.199 7.782 0.417 18027 8928 1 14 . 1 1 4 4 LEU N N 4 120.939 120.939 124.281 -3.342 18027 8929 1 14 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.544 -0.061 18027 8930 1 14 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.449 -2.865 18027 8931 1 14 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.499 -2.938 18027 8932 1 14 . 1 1 4 4 LEU H H 4 7.510 7.510 8.557 -1.047 18027 8933 1 14 . 1 1 5 5 THR N N 5 112.777 112.777 112.274 0.503 18027 8934 1 14 . 1 1 5 5 THR HA H 5 4.253 4.253 4.433 -0.180 18027 8935 1 14 . 1 1 5 5 THR CA C 5 57.873 57.873 61.371 -3.498 18027 8936 1 14 . 1 1 5 5 THR CB C 5 68.203 68.203 69.967 -1.764 18027 8937 1 14 . 1 1 5 5 THR H H 5 8.576 8.576 8.317 0.259 18027 8938 1 14 . 1 1 6 6 GLU N N 6 120.254 120.254 120.408 -0.154 18027 8939 1 14 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.040 -0.246 18027 8940 1 14 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.489 -1.844 18027 8941 1 14 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.287 -3.001 18027 8942 1 14 . 1 1 6 6 GLU H H 6 8.874 8.874 8.808 0.066 18027 8943 1 14 . 1 1 7 7 GLU N N 7 119.637 119.637 119.151 0.486 18027 8944 1 14 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.139 -0.243 18027 8945 1 14 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.050 -1.873 18027 8946 1 14 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.379 -3.325 18027 8947 1 14 . 1 1 7 7 GLU H H 7 8.536 8.536 8.356 0.180 18027 8948 1 14 . 1 1 8 8 GLN N N 8 120.086 120.086 119.272 0.814 18027 8949 1 14 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.258 -0.420 18027 8950 1 14 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.280 -1.869 18027 8951 1 14 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.128 -2.503 18027 8952 1 14 . 1 1 8 8 GLN H H 8 7.499 7.499 7.789 -0.290 18027 8953 1 14 . 1 1 9 9 ILE N N 9 120.295 120.295 119.771 0.524 18027 8954 1 14 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.755 -0.088 18027 8955 1 14 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.245 -0.199 18027 8956 1 14 . 1 1 9 9 ILE H H 9 8.405 8.405 8.761 -0.356 18027 8957 1 14 . 1 1 10 10 ALA N N 10 121.503 121.503 121.177 0.326 18027 8958 1 14 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.123 -0.212 18027 8959 1 14 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.171 -2.514 18027 8960 1 14 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.178 -3.203 18027 8961 1 14 . 1 1 10 10 ALA H H 10 7.949 7.949 7.595 0.354 18027 8962 1 14 . 1 1 11 11 GLU N N 11 118.352 118.352 118.864 -0.512 18027 8963 1 14 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.100 -0.262 18027 8964 1 14 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.541 -1.869 18027 8965 1 14 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.580 -2.612 18027 8966 1 14 . 1 1 11 11 GLU H H 11 7.700 7.700 7.909 -0.209 18027 8967 1 14 . 1 1 12 12 PHE N N 12 117.277 117.277 120.665 -3.388 18027 8968 1 14 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.286 0.191 18027 8969 1 14 . 1 1 12 12 PHE CA C 12 59.655 59.655 61.981 -2.326 18027 8970 1 14 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.381 -3.846 18027 8971 1 14 . 1 1 12 12 PHE H H 12 8.211 8.211 7.783 0.428 18027 8972 1 14 . 1 1 13 13 LYS N N 13 122.928 122.928 119.009 3.919 18027 8973 1 14 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.964 -0.039 18027 8974 1 14 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.544 -2.390 18027 8975 1 14 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.232 -6.063 18027 8976 1 14 . 1 1 13 13 LYS H H 13 8.925 8.925 7.815 1.110 18027 8977 1 14 . 1 1 14 14 GLU N N 14 119.706 119.706 117.607 2.099 18027 8978 1 14 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.200 -0.342 18027 8979 1 14 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.726 -2.390 18027 8980 1 14 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.692 -3.409 18027 8981 1 14 . 1 1 14 14 GLU H H 14 7.824 7.824 7.775 0.049 18027 8982 1 14 . 1 1 15 15 ALA N N 15 123.880 123.880 122.371 1.509 18027 8983 1 14 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.214 -0.347 18027 8984 1 14 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.294 -1.459 18027 8985 1 14 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.266 -3.063 18027 8986 1 14 . 1 1 15 15 ALA H H 15 8.124 8.124 7.965 0.159 18027 8987 1 14 . 1 1 16 16 PHE N N 16 118.972 118.972 118.887 0.085 18027 8988 1 14 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.055 -0.923 18027 8989 1 14 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.539 -0.556 18027 8990 1 14 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.441 -2.992 18027 8991 1 14 . 1 1 16 16 PHE H H 16 8.446 8.446 8.019 0.427 18027 8992 1 14 . 1 1 17 17 SER N N 17 114.737 114.737 113.592 1.145 18027 8993 1 14 . 1 1 17 17 SER HA H 17 3.902 3.902 4.312 -0.410 18027 8994 1 14 . 1 1 17 17 SER CA C 17 58.999 58.999 59.783 -0.784 18027 8995 1 14 . 1 1 17 17 SER CB C 17 60.436 60.436 62.688 -2.252 18027 8996 1 14 . 1 1 17 17 SER H H 17 7.874 7.874 7.755 0.119 18027 8997 1 14 . 1 1 18 18 LEU N N 18 120.225 120.225 121.419 -1.194 18027 8998 1 14 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.130 -0.345 18027 8999 1 14 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.749 -3.021 18027 9000 1 14 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.109 -3.947 18027 9001 1 14 . 1 1 18 18 LEU H H 18 7.183 7.183 7.361 -0.178 18027 9002 1 14 . 1 1 19 19 PHE N N 19 112.357 112.357 115.108 -2.751 18027 9003 1 14 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.603 -2.179 18027 9004 1 14 . 1 1 19 19 PHE H H 19 6.977 6.977 7.743 -0.766 18027 9005 1 14 . 1 1 20 20 ASP N N 20 117.274 117.274 120.535 -3.261 18027 9006 1 14 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.841 -0.409 18027 9007 1 14 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.710 -3.198 18027 9008 1 14 . 1 1 20 20 ASP CB C 20 36.677 36.677 39.551 -2.874 18027 9009 1 14 . 1 1 20 20 ASP H H 20 7.446 7.446 7.627 -0.181 18027 9010 1 14 . 1 1 21 21 LYS N N 21 124.296 124.296 120.071 4.225 18027 9011 1 14 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.168 -0.330 18027 9012 1 14 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.842 -2.163 18027 9013 1 14 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.409 -2.814 18027 9014 1 14 . 1 1 21 21 LYS H H 21 7.520 7.520 7.706 -0.186 18027 9015 1 14 . 1 1 22 22 ASP N N 22 113.761 113.761 118.116 -4.355 18027 9016 1 14 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.708 -0.274 18027 9017 1 14 . 1 1 22 22 ASP CA C 22 50.061 50.061 55.178 -5.117 18027 9018 1 14 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.752 -5.189 18027 9019 1 14 . 1 1 22 22 ASP H H 22 7.819 7.819 8.128 -0.309 18027 9020 1 14 . 1 1 23 23 GLY N N 23 108.838 108.838 108.451 0.387 18027 9021 1 14 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.834 -1.529 18027 9022 1 14 . 1 1 23 23 GLY H H 23 7.497 7.497 8.208 -0.711 18027 9023 1 14 . 1 1 24 24 ASP N N 24 120.790 120.790 120.151 0.639 18027 9024 1 14 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.804 -0.454 18027 9025 1 14 . 1 1 24 24 ASP CA C 24 50.853 50.853 53.876 -3.023 18027 9026 1 14 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.456 -4.093 18027 9027 1 14 . 1 1 24 24 ASP H H 24 8.312 8.312 8.374 -0.062 18027 9028 1 14 . 1 1 25 25 GLY N N 25 112.499 112.499 109.361 3.138 18027 9029 1 14 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.248 -2.828 18027 9030 1 14 . 1 1 25 25 GLY H H 25 10.352 10.352 8.095 2.257 18027 9031 1 14 . 1 1 26 26 THR N N 26 111.781 111.781 111.157 0.624 18027 9032 1 14 . 1 1 26 26 THR HA H 26 5.316 5.316 5.810 -0.494 18027 9033 1 14 . 1 1 26 26 THR CA C 26 56.878 56.878 60.342 -3.464 18027 9034 1 14 . 1 1 26 26 THR CB C 26 70.031 70.031 72.570 -2.539 18027 9035 1 14 . 1 1 26 26 THR H H 26 8.018 8.018 8.970 -0.952 18027 9036 1 14 . 1 1 27 27 ILE N N 27 126.162 126.162 125.494 0.668 18027 9037 1 14 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.583 0.075 18027 9038 1 14 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.240 -1.763 18027 9039 1 14 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.838 -2.266 18027 9040 1 14 . 1 1 27 27 ILE H H 27 9.769 9.769 8.539 1.230 18027 9041 1 14 . 1 1 28 28 THR N N 28 116.311 116.311 121.893 -5.582 18027 9042 1 14 . 1 1 28 28 THR HA H 28 4.669 4.669 4.979 -0.310 18027 9043 1 14 . 1 1 28 28 THR CA C 28 56.878 56.878 61.896 -5.018 18027 9044 1 14 . 1 1 28 28 THR CB C 28 69.688 69.688 69.802 -0.114 18027 9045 1 14 . 1 1 28 28 THR H H 28 8.302 8.302 8.731 -0.429 18027 9046 1 14 . 1 1 29 29 THR N N 29 112.465 112.465 115.199 -2.734 18027 9047 1 14 . 1 1 29 29 THR HA H 29 3.633 3.633 3.955 -0.323 18027 9048 1 14 . 1 1 29 29 THR CA C 29 63.820 63.820 66.309 -2.489 18027 9049 1 14 . 1 1 29 29 THR CB C 29 65.160 65.160 68.613 -3.453 18027 9050 1 14 . 1 1 29 29 THR H H 29 9.078 9.078 8.690 0.388 18027 9051 1 14 . 1 1 30 30 LYS N N 30 120.792 120.792 119.694 1.098 18027 9052 1 14 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.197 -0.242 18027 9053 1 14 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.937 -2.368 18027 9054 1 14 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.802 -2.208 18027 9055 1 14 . 1 1 30 30 LYS H H 30 7.467 7.467 8.489 -1.022 18027 9056 1 14 . 1 1 31 31 GLU N N 31 121.359 121.359 120.182 1.177 18027 9057 1 14 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.182 -0.276 18027 9058 1 14 . 1 1 31 31 GLU CA C 31 56.677 56.677 59.004 -2.327 18027 9059 1 14 . 1 1 31 31 GLU CB C 31 27.082 27.082 28.994 -1.912 18027 9060 1 14 . 1 1 31 31 GLU H H 31 7.574 7.574 7.533 0.041 18027 9061 1 14 . 1 1 32 32 LEU N N 32 120.087 120.087 120.947 -0.860 18027 9062 1 14 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.363 -0.306 18027 9063 1 14 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.759 -2.187 18027 9064 1 14 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.176 -2.324 18027 9065 1 14 . 1 1 32 32 LEU H H 32 8.712 8.712 7.877 0.835 18027 9066 1 14 . 1 1 33 33 GLY N N 33 105.634 105.634 105.229 0.405 18027 9067 1 14 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.146 -1.509 18027 9068 1 14 . 1 1 33 33 GLY H H 33 8.696 8.696 7.781 0.915 18027 9069 1 14 . 1 1 34 34 THR N N 34 117.265 117.265 118.324 -1.059 18027 9070 1 14 . 1 1 34 34 THR HA H 34 3.810 3.810 3.940 -0.130 18027 9071 1 14 . 1 1 34 34 THR CA C 34 64.259 64.259 66.280 -2.021 18027 9072 1 14 . 1 1 34 34 THR CB C 34 66.033 66.033 68.660 -2.627 18027 9073 1 14 . 1 1 34 34 THR H H 34 7.785 7.785 7.523 0.262 18027 9074 1 14 . 1 1 35 35 VAL N N 35 121.498 121.498 120.066 1.432 18027 9075 1 14 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.774 -0.373 18027 9076 1 14 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.046 -0.738 18027 9077 1 14 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.185 -2.389 18027 9078 1 14 . 1 1 35 35 VAL H H 35 7.268 7.268 7.362 -0.094 18027 9079 1 14 . 1 1 36 36 MET N N 36 117.302 117.302 118.921 -1.619 18027 9080 1 14 . 1 1 36 36 MET HA H 36 3.842 3.842 4.257 -0.415 18027 9081 1 14 . 1 1 36 36 MET CA C 36 56.606 56.606 57.981 -1.375 18027 9082 1 14 . 1 1 36 36 MET CB C 36 28.453 28.453 32.343 -3.890 18027 9083 1 14 . 1 1 36 36 MET H H 36 8.487 8.487 7.758 0.729 18027 9084 1 14 . 1 1 37 37 ARG N N 37 118.262 118.262 118.501 -0.239 18027 9085 1 14 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.468 0.189 18027 9086 1 14 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.222 -1.742 18027 9087 1 14 . 1 1 37 37 ARG CB C 37 26.740 26.740 29.956 -3.216 18027 9088 1 14 . 1 1 37 37 ARG H H 37 8.330 8.330 7.684 0.646 18027 9089 1 14 . 1 1 38 38 SER N N 38 117.873 117.873 114.100 3.773 18027 9090 1 14 . 1 1 38 38 SER H H 38 7.815 7.815 7.604 0.211 18027 9091 1 14 . 1 1 39 39 LEU N N 39 117.970 117.970 118.208 -0.238 18027 9092 1 14 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.312 -0.240 18027 9093 1 14 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.218 -3.780 18027 9094 1 14 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.056 -3.894 18027 9095 1 14 . 1 1 39 39 LEU H H 39 7.326 7.326 7.594 -0.268 18027 9096 1 14 . 1 1 40 40 GLY N N 40 106.755 106.755 105.832 0.923 18027 9097 1 14 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.693 -2.029 18027 9098 1 14 . 1 1 40 40 GLY H H 40 7.636 7.636 7.570 0.066 18027 9099 1 14 . 1 1 41 41 GLN N N 41 118.316 118.316 119.342 -1.026 18027 9100 1 14 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.600 -0.315 18027 9101 1 14 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.187 -3.334 18027 9102 1 14 . 1 1 41 41 GLN CB C 41 27.311 27.311 32.208 -4.897 18027 9103 1 14 . 1 1 41 41 GLN H H 41 7.827 7.827 7.693 0.134 18027 9104 1 14 . 1 1 42 42 ASN N N 42 115.866 115.866 121.199 -5.333 18027 9105 1 14 . 1 1 42 42 ASN HA H 42 5.013 5.013 4.951 0.062 18027 9106 1 14 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.903 -3.341 18027 9107 1 14 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.074 -2.756 18027 9108 1 14 . 1 1 42 42 ASN H H 42 8.557 8.557 8.524 0.033 18027 9109 1 14 . 1 1 44 44 THR N N 44 113.035 113.035 117.685 -4.650 18027 9110 1 14 . 1 1 44 44 THR HA H 44 4.296 4.296 4.557 -0.261 18027 9111 1 14 . 1 1 44 44 THR CA C 44 57.922 57.922 59.786 -1.864 18027 9112 1 14 . 1 1 44 44 THR CB C 44 68.317 68.317 71.590 -3.273 18027 9113 1 14 . 1 1 44 44 THR H H 44 8.694 8.694 8.360 0.334 18027 9114 1 14 . 1 1 45 45 GLU N N 45 120.283 120.283 122.405 -2.122 18027 9115 1 14 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.141 -0.245 18027 9116 1 14 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.510 -2.154 18027 9117 1 14 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.440 -3.724 18027 9118 1 14 . 1 1 45 45 GLU H H 45 8.687 8.687 9.009 -0.322 18027 9119 1 14 . 1 1 46 46 ALA N N 46 120.685 120.685 122.129 -1.444 18027 9120 1 14 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.181 -0.311 18027 9121 1 14 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.559 -2.244 18027 9122 1 14 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.151 -3.062 18027 9123 1 14 . 1 1 46 46 ALA H H 46 8.153 8.153 8.127 0.026 18027 9124 1 14 . 1 1 47 47 GLU N N 47 118.546 118.546 118.893 -0.347 18027 9125 1 14 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.153 -0.294 18027 9126 1 14 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.541 -2.033 18027 9127 1 14 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.043 -2.303 18027 9128 1 14 . 1 1 47 47 GLU H H 47 7.554 7.554 8.206 -0.652 18027 9129 1 14 . 1 1 48 48 LEU N N 48 120.085 120.085 120.855 -0.770 18027 9130 1 14 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.028 -0.088 18027 9131 1 14 . 1 1 48 48 LEU CA C 48 55.368 55.368 58.577 -3.209 18027 9132 1 14 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.940 -2.521 18027 9133 1 14 . 1 1 48 48 LEU H H 48 8.247 8.247 8.297 -0.050 18027 9134 1 14 . 1 1 49 49 GLN N N 49 118.119 118.119 117.538 0.581 18027 9135 1 14 . 1 1 49 49 GLN HA H 49 3.913 3.913 3.981 -0.068 18027 9136 1 14 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.893 -2.190 18027 9137 1 14 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.596 -2.199 18027 9138 1 14 . 1 1 49 49 GLN H H 49 7.891 7.891 7.729 0.162 18027 9139 1 14 . 1 1 50 50 ASP N N 50 119.263 119.263 121.049 -1.786 18027 9140 1 14 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.434 -0.255 18027 9141 1 14 . 1 1 50 50 ASP CA C 50 54.876 54.876 57.137 -2.261 18027 9142 1 14 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.993 -3.745 18027 9143 1 14 . 1 1 50 50 ASP H H 50 7.803 7.803 7.518 0.285 18027 9144 1 14 . 1 1 51 51 MET N N 51 120.178 120.178 118.889 1.289 18027 9145 1 14 . 1 1 51 51 MET HA H 51 3.966 3.966 4.254 -0.288 18027 9146 1 14 . 1 1 51 51 MET CA C 51 57.074 57.074 57.788 -0.714 18027 9147 1 14 . 1 1 51 51 MET CB C 51 29.975 29.975 32.689 -2.714 18027 9148 1 14 . 1 1 51 51 MET H H 51 7.831 7.831 7.665 0.166 18027 9149 1 14 . 1 1 52 52 ILE N N 52 116.856 116.856 120.282 -3.426 18027 9150 1 14 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.760 -0.412 18027 9151 1 14 . 1 1 52 52 ILE CA C 52 61.675 61.675 63.631 -1.956 18027 9152 1 14 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.149 -3.327 18027 9153 1 14 . 1 1 52 52 ILE H H 52 7.703 7.703 7.747 -0.044 18027 9154 1 14 . 1 1 53 53 ASN N N 53 117.417 117.417 118.005 -0.588 18027 9155 1 14 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.459 -0.206 18027 9156 1 14 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.832 -2.791 18027 9157 1 14 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.240 -3.162 18027 9158 1 14 . 1 1 53 53 ASN H H 53 8.187 8.187 8.144 0.043 18027 9159 1 14 . 1 1 54 54 GLU N N 54 116.996 116.996 118.031 -1.035 18027 9160 1 14 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.230 -0.371 18027 9161 1 14 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.761 -2.887 18027 9162 1 14 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.301 -3.904 18027 9163 1 14 . 1 1 54 54 GLU H H 54 7.391 7.391 8.050 -0.659 18027 9164 1 14 . 1 1 55 55 VAL N N 55 114.596 114.596 114.193 0.403 18027 9165 1 14 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.122 -0.135 18027 9166 1 14 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.839 -3.894 18027 9167 1 14 . 1 1 55 55 VAL CB C 55 30.738 30.738 33.033 -2.296 18027 9168 1 14 . 1 1 55 55 VAL H H 55 7.151 7.151 7.513 -0.362 18027 9169 1 14 . 1 1 56 56 ASP N N 56 119.670 119.670 122.844 -3.174 18027 9170 1 14 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.525 -0.208 18027 9171 1 14 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.490 -4.134 18027 9172 1 14 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.132 -3.541 18027 9173 1 14 . 1 1 56 56 ASP H H 56 7.913 7.913 8.386 -0.473 18027 9174 1 14 . 1 1 57 57 ALA N N 57 131.491 131.491 129.252 2.239 18027 9175 1 14 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.195 -0.094 18027 9176 1 14 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.925 -2.742 18027 9177 1 14 . 1 1 57 57 ALA H H 57 8.126 8.126 8.784 -0.658 18027 9178 1 14 . 1 1 58 58 ASP N N 58 114.255 114.255 117.833 -3.578 18027 9179 1 14 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.651 -0.217 18027 9180 1 14 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.635 -4.675 18027 9181 1 14 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.451 -4.888 18027 9182 1 14 . 1 1 58 58 ASP H H 58 8.130 8.130 8.288 -0.158 18027 9183 1 14 . 1 1 59 59 GLY N N 59 108.987 108.987 108.421 0.566 18027 9184 1 14 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.356 -1.060 18027 9185 1 14 . 1 1 59 59 GLY H H 59 7.504 7.504 8.679 -1.175 18027 9186 1 14 . 1 1 60 60 ASN N N 60 118.770 118.770 117.736 1.034 18027 9187 1 14 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.832 -0.403 18027 9188 1 14 . 1 1 60 60 ASN CA C 60 49.859 49.859 51.234 -1.375 18027 9189 1 14 . 1 1 60 60 ASN CB C 60 34.507 34.507 39.750 -5.243 18027 9190 1 14 . 1 1 60 60 ASN H H 60 8.095 8.095 8.363 -0.268 18027 9191 1 14 . 1 1 61 61 GLY N N 61 112.773 112.773 108.523 4.250 18027 9192 1 14 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.115 -2.403 18027 9193 1 14 . 1 1 61 61 GLY H H 61 10.280 10.280 9.182 1.098 18027 9194 1 14 . 1 1 62 62 THR N N 62 108.117 108.117 110.392 -2.275 18027 9195 1 14 . 1 1 62 62 THR HA H 62 4.672 4.672 4.999 -0.327 18027 9196 1 14 . 1 1 62 62 THR CA C 62 56.878 56.878 59.593 -2.715 18027 9197 1 14 . 1 1 62 62 THR CB C 62 69.688 69.688 72.019 -2.331 18027 9198 1 14 . 1 1 62 62 THR H H 62 7.475 7.475 7.719 -0.244 18027 9199 1 14 . 1 1 63 63 ILE N N 63 122.642 122.642 122.579 0.063 18027 9200 1 14 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.478 0.318 18027 9201 1 14 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.238 -2.426 18027 9202 1 14 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.732 -4.369 18027 9203 1 14 . 1 1 63 63 ILE H H 63 8.449 8.449 8.260 0.189 18027 9204 1 14 . 1 1 64 64 ASP N N 64 128.633 128.633 125.672 2.961 18027 9205 1 14 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.367 -0.051 18027 9206 1 14 . 1 1 64 64 ASP CA C 64 49.280 49.280 52.912 -3.632 18027 9207 1 14 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.413 -3.652 18027 9208 1 14 . 1 1 64 64 ASP H H 64 9.011 9.011 8.435 0.576 18027 9209 1 14 . 1 1 65 65 PHE N N 65 118.892 118.892 117.013 1.879 18027 9210 1 14 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.217 -0.450 18027 9211 1 14 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.550 -0.337 18027 9212 1 14 . 1 1 65 65 PHE H H 65 8.766 8.766 8.243 0.523 18027 9213 1 14 . 1 1 67 67 GLU N N 67 118.675 118.675 115.603 3.072 18027 9214 1 14 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.243 -0.406 18027 9215 1 14 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.355 -0.750 18027 9216 1 14 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.561 -2.164 18027 9217 1 14 . 1 1 67 67 GLU H H 67 7.487 7.487 8.623 -1.136 18027 9218 1 14 . 1 1 68 68 PHE N N 68 123.182 123.182 121.471 1.711 18027 9219 1 14 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.307 -0.639 18027 9220 1 14 . 1 1 68 68 PHE CA C 68 58.429 58.429 62.011 -3.582 18027 9221 1 14 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.510 -1.919 18027 9222 1 14 . 1 1 68 68 PHE H H 68 8.066 8.066 7.427 0.639 18027 9223 1 14 . 1 1 69 69 LEU N N 69 119.530 119.530 117.591 1.939 18027 9224 1 14 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.080 -0.125 18027 9225 1 14 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.867 -2.092 18027 9226 1 14 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.321 -1.902 18027 9227 1 14 . 1 1 69 69 LEU H H 69 8.672 8.672 8.240 0.432 18027 9228 1 14 . 1 1 70 70 THR N N 70 113.765 113.765 115.204 -1.439 18027 9229 1 14 . 1 1 70 70 THR HA H 70 3.806 3.806 3.975 -0.169 18027 9230 1 14 . 1 1 70 70 THR CA C 70 63.861 63.861 66.072 -2.211 18027 9231 1 14 . 1 1 70 70 THR CB C 70 66.147 66.147 68.735 -2.588 18027 9232 1 14 . 1 1 70 70 THR H H 70 7.909 7.909 7.679 0.230 18027 9233 1 14 . 1 1 71 71 MET N N 71 119.518 119.518 119.312 0.206 18027 9234 1 14 . 1 1 71 71 MET HA H 71 3.881 3.881 4.267 -0.386 18027 9235 1 14 . 1 1 71 71 MET CA C 71 56.106 56.106 56.565 -0.459 18027 9236 1 14 . 1 1 71 71 MET CB C 71 29.595 29.595 32.353 -2.758 18027 9237 1 14 . 1 1 71 71 MET H H 71 7.120 7.120 7.488 -0.368 18027 9238 1 14 . 1 1 72 72 MET N N 72 116.280 116.280 118.594 -2.314 18027 9239 1 14 . 1 1 72 72 MET HA H 72 3.817 3.817 4.222 -0.405 18027 9240 1 14 . 1 1 72 72 MET CA C 72 55.111 55.111 57.762 -2.651 18027 9241 1 14 . 1 1 72 72 MET CB C 72 27.892 27.892 32.341 -4.449 18027 9242 1 14 . 1 1 72 72 MET H H 72 7.737 7.737 7.537 0.200 18027 9243 1 14 . 1 1 73 73 ALA N N 73 119.984 119.984 119.037 0.947 18027 9244 1 14 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.173 -0.335 18027 9245 1 14 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.837 -2.025 18027 9246 1 14 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.354 -3.151 18027 9247 1 14 . 1 1 73 73 ALA H H 73 8.322 8.322 7.660 0.662 18027 9248 1 14 . 1 1 74 74 ARG N N 74 116.354 116.354 118.803 -2.449 18027 9249 1 14 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.153 -0.315 18027 9250 1 14 . 1 1 74 74 ARG CA C 74 55.957 55.957 59.035 -3.078 18027 9251 1 14 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.408 -5.153 18027 9252 1 14 . 1 1 74 74 ARG H H 74 7.264 7.264 7.415 -0.151 18027 9253 1 14 . 1 1 75 75 LYS N N 75 120.084 120.084 118.594 1.490 18027 9254 1 14 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.428 -0.480 18027 9255 1 14 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.216 -2.357 18027 9256 1 14 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.019 -3.338 18027 9257 1 14 . 1 1 75 75 LYS H H 75 7.756 7.756 7.634 0.122 18027 9258 1 14 . 1 1 76 76 MET N N 76 117.139 117.139 118.317 -1.178 18027 9259 1 14 . 1 1 76 76 MET HA H 76 4.168 4.168 4.413 -0.245 18027 9260 1 14 . 1 1 76 76 MET CA C 76 54.704 54.704 56.566 -1.862 18027 9261 1 14 . 1 1 76 76 MET CB C 76 30.052 30.052 32.550 -2.498 18027 9262 1 14 . 1 1 76 76 MET H H 76 7.985 7.985 7.456 0.529 18027 9263 1 14 . 1 1 77 77 LYS N N 77 116.614 116.614 117.744 -1.130 18027 9264 1 14 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.457 -0.236 18027 9265 1 14 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.211 -3.027 18027 9266 1 14 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.533 -6.250 18027 9267 1 14 . 1 1 77 77 LYS H H 77 7.275 7.275 7.409 -0.134 18027 9268 1 14 . 1 1 78 78 ASP N N 78 123.187 123.187 120.045 3.142 18027 9269 1 14 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.801 -0.350 18027 9270 1 14 . 1 1 78 78 ASP CA C 78 51.732 51.732 55.061 -3.329 18027 9271 1 14 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.713 -3.322 18027 9272 1 14 . 1 1 78 78 ASP H H 78 8.181 8.181 7.904 0.277 18027 9273 1 14 . 1 1 79 79 THR N N 79 114.325 114.325 111.380 2.945 18027 9274 1 14 . 1 1 79 79 THR HA H 79 4.034 4.034 3.973 0.061 18027 9275 1 14 . 1 1 79 79 THR CA C 79 61.322 61.322 64.213 -2.891 18027 9276 1 14 . 1 1 79 79 THR CB C 79 66.147 66.147 67.121 -0.974 18027 9277 1 14 . 1 1 79 79 THR H H 79 8.377 8.377 8.275 0.102 18027 9278 1 14 . 1 1 80 80 ASP N N 80 120.844 120.844 120.696 0.148 18027 9279 1 14 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.739 -0.434 18027 9280 1 14 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.014 -2.342 18027 9281 1 14 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.591 -3.000 18027 9282 1 14 . 1 1 80 80 ASP H H 80 8.223 8.223 8.472 -0.249 18027 9283 1 14 . 1 1 81 81 SER N N 81 115.729 115.729 114.881 0.848 18027 9284 1 14 . 1 1 81 81 SER HA H 81 3.911 3.911 4.371 -0.460 18027 9285 1 14 . 1 1 81 81 SER CA C 81 57.939 57.939 59.517 -1.577 18027 9286 1 14 . 1 1 81 81 SER CB C 81 60.664 60.664 62.597 -1.933 18027 9287 1 14 . 1 1 81 81 SER H H 81 7.785 7.785 8.403 -0.618 18027 9288 1 14 . 1 1 82 82 GLU N N 82 121.960 121.960 122.072 -0.112 18027 9289 1 14 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.245 -0.349 18027 9290 1 14 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.874 -2.045 18027 9291 1 14 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.602 -2.977 18027 9292 1 14 . 1 1 82 82 GLU H H 82 8.208 8.208 8.471 -0.263 18027 9293 1 14 . 1 1 83 83 GLU N N 83 118.040 118.040 117.646 0.394 18027 9294 1 14 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.185 -0.347 18027 9295 1 14 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.770 -2.825 18027 9296 1 14 . 1 1 83 83 GLU CB C 83 26.832 26.832 28.831 -2.000 18027 9297 1 14 . 1 1 83 83 GLU H H 83 7.898 7.898 7.778 0.120 18027 9298 1 14 . 1 1 84 84 GLU N N 84 118.825 118.825 119.789 -0.964 18027 9299 1 14 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.528 -3.769 18027 9300 1 14 . 1 1 84 84 GLU CB C 84 30.852 30.852 30.079 0.773 18027 9301 1 14 . 1 1 84 84 GLU H H 84 8.154 8.154 7.470 0.684 18027 9302 1 14 . 1 1 85 85 ILE N N 85 119.310 119.310 119.300 0.010 18027 9303 1 14 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.873 -0.106 18027 9304 1 14 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.856 -4.998 18027 9305 1 14 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.713 -2.064 18027 9306 1 14 . 1 1 85 85 ILE H H 85 7.793 7.793 7.550 0.243 18027 9307 1 14 . 1 1 86 86 ARG N N 86 120.640 120.640 119.898 0.742 18027 9308 1 14 . 1 1 86 86 ARG HA H 86 3.925 3.925 4.139 -0.214 18027 9309 1 14 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.734 -2.469 18027 9310 1 14 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.412 -2.558 18027 9311 1 14 . 1 1 86 86 ARG H H 86 8.177 8.177 7.988 0.189 18027 9312 1 14 . 1 1 87 87 GLU N N 87 119.448 119.448 119.708 -0.260 18027 9313 1 14 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.224 -0.372 18027 9314 1 14 . 1 1 87 87 GLU CA C 87 56.643 56.643 59.314 -2.671 18027 9315 1 14 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.069 -3.015 18027 9316 1 14 . 1 1 87 87 GLU H H 87 7.828 7.828 7.789 0.039 18027 9317 1 14 . 1 1 88 88 ALA N N 88 122.592 122.592 122.617 -0.025 18027 9318 1 14 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.383 -0.355 18027 9319 1 14 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.837 -2.241 18027 9320 1 14 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.735 -4.103 18027 9321 1 14 . 1 1 88 88 ALA H H 88 8.283 8.283 7.483 0.800 18027 9322 1 14 . 1 1 89 89 PHE N N 89 119.245 119.245 119.003 0.242 18027 9323 1 14 . 1 1 89 89 PHE HA H 89 3.114 3.114 3.964 -0.850 18027 9324 1 14 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.428 -1.883 18027 9325 1 14 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.700 -3.365 18027 9326 1 14 . 1 1 89 89 PHE H H 89 8.423 8.423 8.825 -0.402 18027 9327 1 14 . 1 1 90 90 ARG N N 90 117.455 117.455 119.243 -1.788 18027 9328 1 14 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.249 -0.400 18027 9329 1 14 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.181 -2.868 18027 9330 1 14 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.862 -2.665 18027 9331 1 14 . 1 1 90 90 ARG H H 90 7.840 7.840 7.834 0.006 18027 9332 1 14 . 1 1 91 91 VAL N N 91 118.698 118.698 118.482 0.216 18027 9333 1 14 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.859 -0.607 18027 9334 1 14 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.580 -1.247 18027 9335 1 14 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.241 -3.131 18027 9336 1 14 . 1 1 91 91 VAL H H 91 7.262 7.262 7.387 -0.125 18027 9337 1 14 . 1 1 92 92 PHE N N 92 112.495 112.495 117.036 -4.541 18027 9338 1 14 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.346 -0.412 18027 9339 1 14 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.680 -3.499 18027 9340 1 14 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.968 -0.549 18027 9341 1 14 . 1 1 92 92 PHE H H 92 6.693 6.693 7.465 -0.772 18027 9342 1 14 . 1 1 93 93 ASP N N 93 117.214 117.214 118.507 -1.293 18027 9343 1 14 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.657 -0.223 18027 9344 1 14 . 1 1 93 93 ASP CA C 93 49.781 49.781 53.136 -3.355 18027 9345 1 14 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.436 -2.987 18027 9346 1 14 . 1 1 93 93 ASP H H 93 7.954 7.954 8.027 -0.073 18027 9347 1 14 . 1 1 94 94 LYS N N 94 125.565 125.565 121.192 4.373 18027 9348 1 14 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.090 -0.311 18027 9349 1 14 . 1 1 94 94 LYS CA C 94 55.679 55.679 57.888 -2.209 18027 9350 1 14 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.636 -3.041 18027 9351 1 14 . 1 1 94 94 LYS H H 94 7.671 7.671 7.928 -0.257 18027 9352 1 14 . 1 1 95 95 ASP N N 95 114.041 114.041 116.665 -2.624 18027 9353 1 14 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.833 -0.425 18027 9354 1 14 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.735 -3.522 18027 9355 1 14 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.574 -5.011 18027 9356 1 14 . 1 1 95 95 ASP H H 95 7.944 7.944 8.092 -0.148 18027 9357 1 14 . 1 1 96 96 GLY N N 96 108.849 108.849 109.276 -0.427 18027 9358 1 14 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.959 -1.760 18027 9359 1 14 . 1 1 96 96 GLY H H 96 7.529 7.529 7.794 -0.265 18027 9360 1 14 . 1 1 97 97 ASN N N 97 119.410 119.410 120.877 -1.467 18027 9361 1 14 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.619 -0.195 18027 9362 1 14 . 1 1 97 97 ASN CA C 97 49.683 49.683 52.989 -3.306 18027 9363 1 14 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.723 -2.160 18027 9364 1 14 . 1 1 97 97 ASN H H 97 8.234 8.234 8.265 -0.031 18027 9365 1 14 . 1 1 98 98 GLY N N 98 112.073 112.073 106.414 5.659 18027 9366 1 14 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.324 -3.148 18027 9367 1 14 . 1 1 98 98 GLY H H 98 10.298 10.298 8.543 1.755 18027 9368 1 14 . 1 1 99 99 TYR N N 99 116.011 116.011 117.025 -1.014 18027 9369 1 14 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.139 -0.321 18027 9370 1 14 . 1 1 99 99 TYR CA C 99 53.681 53.681 55.372 -1.691 18027 9371 1 14 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.394 -0.519 18027 9372 1 14 . 1 1 99 99 TYR H H 99 7.497 7.497 7.187 0.310 18027 9373 1 14 . 1 1 100 100 ILE N N 100 126.793 126.793 121.109 5.684 18027 9374 1 14 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.221 0.202 18027 9375 1 14 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.522 -1.893 18027 9376 1 14 . 1 1 100 100 ILE CB C 100 35.748 35.748 39.142 -3.394 18027 9377 1 14 . 1 1 100 100 ILE H H 100 9.833 9.833 8.560 1.273 18027 9378 1 14 . 1 1 101 101 SER N N 101 123.825 123.825 124.068 -0.243 18027 9379 1 14 . 1 1 101 101 SER HA H 101 4.657 4.657 4.857 -0.200 18027 9380 1 14 . 1 1 101 101 SER CA C 101 53.060 53.060 58.479 -5.419 18027 9381 1 14 . 1 1 101 101 SER CB C 101 64.091 64.091 64.466 -0.375 18027 9382 1 14 . 1 1 101 101 SER H H 101 8.870 8.870 8.891 -0.021 18027 9383 1 14 . 1 1 102 102 ALA N N 102 122.909 122.909 125.623 -2.714 18027 9384 1 14 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.075 -0.311 18027 9385 1 14 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.275 -2.224 18027 9386 1 14 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.431 -3.456 18027 9387 1 14 . 1 1 102 102 ALA H H 102 9.209 9.209 8.667 0.542 18027 9388 1 14 . 1 1 103 103 ALA N N 103 118.692 118.692 119.951 -1.259 18027 9389 1 14 . 1 1 103 103 ALA HA H 103 3.874 3.874 3.967 -0.093 18027 9390 1 14 . 1 1 103 103 ALA CA C 103 52.485 52.485 55.097 -2.612 18027 9391 1 14 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.142 -2.939 18027 9392 1 14 . 1 1 103 103 ALA H H 103 8.146 8.146 8.505 -0.359 18027 9393 1 14 . 1 1 104 104 GLU N N 104 120.098 120.098 118.552 1.546 18027 9394 1 14 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.273 -0.410 18027 9395 1 14 . 1 1 104 104 GLU CA C 104 56.575 56.575 59.287 -2.712 18027 9396 1 14 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.788 -4.419 18027 9397 1 14 . 1 1 104 104 GLU H H 104 7.832 7.832 8.194 -0.362 18027 9398 1 14 . 1 1 105 105 LEU N N 105 121.466 121.466 118.077 3.389 18027 9399 1 14 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.413 -0.297 18027 9400 1 14 . 1 1 105 105 LEU CA C 105 55.696 55.696 58.135 -2.439 18027 9401 1 14 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.663 -2.701 18027 9402 1 14 . 1 1 105 105 LEU H H 105 8.300 8.300 7.603 0.697 18027 9403 1 14 . 1 1 106 106 ARG N N 106 118.978 118.978 119.628 -0.650 18027 9404 1 14 . 1 1 106 106 ARG HA H 106 3.852 3.852 4.017 -0.165 18027 9405 1 14 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.255 -1.821 18027 9406 1 14 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.763 -2.679 18027 9407 1 14 . 1 1 106 106 ARG H H 106 8.882 8.882 8.293 0.589 18027 9408 1 14 . 1 1 107 107 HIS N N 107 118.543 118.543 118.883 -0.340 18027 9409 1 14 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.314 -0.114 18027 9410 1 14 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.830 -3.005 18027 9411 1 14 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.517 -2.777 18027 9412 1 14 . 1 1 107 107 HIS H H 107 7.991 7.991 7.767 0.224 18027 9413 1 14 . 1 1 108 108 VAL N N 108 118.687 118.687 118.542 0.145 18027 9414 1 14 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.668 -0.576 18027 9415 1 14 . 1 1 108 108 VAL CA C 108 64.210 64.210 65.966 -1.756 18027 9416 1 14 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.673 -2.763 18027 9417 1 14 . 1 1 108 108 VAL H H 108 7.425 7.425 7.400 0.025 18027 9418 1 14 . 1 1 109 109 MET N N 109 115.725 115.725 117.061 -1.336 18027 9419 1 14 . 1 1 109 109 MET HA H 109 3.944 3.944 4.283 -0.339 18027 9420 1 14 . 1 1 109 109 MET CA C 109 55.212 55.212 58.742 -3.530 18027 9421 1 14 . 1 1 109 109 MET CB C 109 27.425 27.425 33.054 -5.629 18027 9422 1 14 . 1 1 109 109 MET H H 109 7.972 7.972 7.432 0.540 18027 9423 1 14 . 1 1 110 110 THR N N 110 116.999 116.999 115.267 1.732 18027 9424 1 14 . 1 1 110 110 THR HA H 110 3.852 3.852 4.567 -0.715 18027 9425 1 14 . 1 1 110 110 THR CA C 110 63.918 63.918 64.759 -0.841 18027 9426 1 14 . 1 1 110 110 THR CB C 110 65.844 65.844 68.586 -2.742 18027 9427 1 14 . 1 1 110 110 THR H H 110 8.691 8.691 8.303 0.388 18027 9428 1 14 . 1 1 111 111 ASN N N 111 123.893 123.893 120.349 3.544 18027 9429 1 14 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.647 -0.406 18027 9430 1 14 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.426 -2.478 18027 9431 1 14 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.590 -3.626 18027 9432 1 14 . 1 1 111 111 ASN H H 111 7.911 7.911 8.167 -0.256 18027 9433 1 14 . 1 1 112 112 LEU N N 112 119.244 119.244 117.670 1.574 18027 9434 1 14 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.128 -0.056 18027 9435 1 14 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.123 -2.222 18027 9436 1 14 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.175 -2.643 18027 9437 1 14 . 1 1 112 112 LEU H H 112 7.618 7.618 7.392 0.226 18027 9438 1 14 . 1 1 113 113 GLY N N 113 107.263 107.263 105.954 1.309 18027 9439 1 14 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.671 -2.234 18027 9440 1 14 . 1 1 113 113 GLY H H 113 7.743 7.743 7.414 0.329 18027 9441 1 14 . 1 1 114 114 GLU N N 114 120.073 120.073 120.078 -0.005 18027 9442 1 14 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.549 -0.259 18027 9443 1 14 . 1 1 114 114 GLU CA C 114 51.526 51.526 55.169 -3.643 18027 9444 1 14 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.572 -5.033 18027 9445 1 14 . 1 1 114 114 GLU H H 114 7.857 7.857 7.796 0.061 18027 9446 1 14 . 1 1 115 115 LYS N N 115 124.142 124.142 125.028 -0.886 18027 9447 1 14 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.551 -0.331 18027 9448 1 14 . 1 1 115 115 LYS CA C 115 52.894 52.894 56.021 -3.127 18027 9449 1 14 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.157 -3.676 18027 9450 1 14 . 1 1 115 115 LYS H H 115 8.377 8.377 8.529 -0.152 18027 9451 1 14 . 1 1 116 116 LEU N N 116 125.240 125.240 125.299 -0.059 18027 9452 1 14 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.546 -0.074 18027 9453 1 14 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.905 -2.467 18027 9454 1 14 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.193 -3.518 18027 9455 1 14 . 1 1 116 116 LEU H H 116 8.002 8.002 8.463 -0.461 18027 9456 1 14 . 1 1 117 117 THR N N 117 113.520 113.520 115.504 -1.984 18027 9457 1 14 . 1 1 117 117 THR CA C 117 57.922 57.922 61.005 -3.083 18027 9458 1 14 . 1 1 117 117 THR CB C 117 68.352 68.352 70.599 -2.247 18027 9459 1 14 . 1 1 117 117 THR H H 117 8.927 8.927 8.512 0.415 18027 9460 1 14 . 1 1 118 118 ASP N N 118 120.859 120.859 124.031 -3.172 18027 9461 1 14 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.484 -0.441 18027 9462 1 14 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.123 -1.958 18027 9463 1 14 . 1 1 118 118 ASP CB C 118 36.774 36.774 41.150 -4.376 18027 9464 1 14 . 1 1 118 118 ASP H H 118 8.754 8.754 8.708 0.046 18027 9465 1 14 . 1 1 119 119 GLU N N 119 119.112 119.112 119.069 0.043 18027 9466 1 14 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.069 -0.142 18027 9467 1 14 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.862 -1.673 18027 9468 1 14 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.638 -3.355 18027 9469 1 14 . 1 1 119 119 GLU H H 119 8.507 8.507 7.641 0.866 18027 9470 1 14 . 1 1 120 120 GLU N N 120 120.059 120.059 117.871 2.188 18027 9471 1 14 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.136 -0.278 18027 9472 1 14 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.349 -1.890 18027 9473 1 14 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.770 -2.253 18027 9474 1 14 . 1 1 120 120 GLU H H 120 7.809 7.809 7.830 -0.021 18027 9475 1 14 . 1 1 121 121 VAL N N 121 120.512 120.512 120.471 0.041 18027 9476 1 14 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.632 -0.160 18027 9477 1 14 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.145 -2.063 18027 9478 1 14 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.099 -2.532 18027 9479 1 14 . 1 1 121 121 VAL H H 121 7.898 7.898 7.361 0.537 18027 9480 1 14 . 1 1 122 122 ASP N N 122 119.857 119.857 118.938 0.919 18027 9481 1 14 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.330 -0.162 18027 9482 1 14 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.545 -2.639 18027 9483 1 14 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.973 -3.496 18027 9484 1 14 . 1 1 122 122 ASP H H 122 7.897 7.897 7.845 0.052 18027 9485 1 14 . 1 1 123 123 GLU N N 123 119.630 119.630 118.404 1.226 18027 9486 1 14 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.116 -0.278 18027 9487 1 14 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.580 -1.503 18027 9488 1 14 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.676 -3.507 18027 9489 1 14 . 1 1 123 123 GLU H H 123 7.963 7.963 7.659 0.304 18027 9490 1 14 . 1 1 124 124 MET N N 124 119.144 119.144 116.780 2.364 18027 9491 1 14 . 1 1 124 124 MET HA H 124 3.859 3.859 4.279 -0.420 18027 9492 1 14 . 1 1 124 124 MET CA C 124 56.508 56.508 56.831 -0.324 18027 9493 1 14 . 1 1 124 124 MET CB C 124 29.253 29.253 32.743 -3.490 18027 9494 1 14 . 1 1 124 124 MET H H 124 7.631 7.631 7.585 0.046 18027 9495 1 14 . 1 1 125 125 ILE N N 125 117.557 117.557 119.220 -1.663 18027 9496 1 14 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.957 -0.673 18027 9497 1 14 . 1 1 125 125 ILE CA C 125 61.139 61.139 63.778 -2.639 18027 9498 1 14 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.740 -3.690 18027 9499 1 14 . 1 1 125 125 ILE H H 125 7.669 7.669 7.587 0.082 18027 9500 1 14 . 1 1 126 126 ARG N N 126 118.414 118.414 119.911 -1.497 18027 9501 1 14 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.154 -0.296 18027 9502 1 14 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.790 -1.988 18027 9503 1 14 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.681 -2.256 18027 9504 1 14 . 1 1 126 126 ARG H H 126 7.952 7.952 7.503 0.449 18027 9505 1 14 . 1 1 127 127 GLU N N 127 116.143 116.143 117.356 -1.213 18027 9506 1 14 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.301 -0.443 18027 9507 1 14 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.187 -1.972 18027 9508 1 14 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.055 -2.858 18027 9509 1 14 . 1 1 127 127 GLU H H 127 7.294 7.294 8.176 -0.882 18027 9510 1 14 . 1 1 128 128 ALA N N 128 116.994 116.994 119.755 -2.761 18027 9511 1 14 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.717 -0.264 18027 9512 1 14 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.788 -3.616 18027 9513 1 14 . 1 1 128 128 ALA CB C 128 19.772 19.772 21.060 -1.288 18027 9514 1 14 . 1 1 128 128 ALA H H 128 7.110 7.110 7.106 0.004 18027 9515 1 14 . 1 1 129 129 ASP N N 129 117.846 117.846 121.728 -3.882 18027 9516 1 14 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.729 -0.287 18027 9517 1 14 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.612 -2.979 18027 9518 1 14 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.529 -2.024 18027 9519 1 14 . 1 1 129 129 ASP H H 129 7.508 7.508 8.604 -1.096 18027 9520 1 14 . 1 1 130 130 ILE N N 130 128.118 128.118 121.675 6.443 18027 9521 1 14 . 1 1 130 130 ILE HA H 130 3.750 3.750 3.970 -0.220 18027 9522 1 14 . 1 1 130 130 ILE CA C 130 60.583 60.583 64.049 -3.466 18027 9523 1 14 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.033 -2.270 18027 9524 1 14 . 1 1 130 130 ILE H H 130 8.168 8.168 8.137 0.031 18027 9525 1 14 . 1 1 131 131 ASP N N 131 116.572 116.572 120.394 -3.822 18027 9526 1 14 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.565 -0.269 18027 9527 1 14 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.389 -2.267 18027 9528 1 14 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.651 -3.174 18027 9529 1 14 . 1 1 131 131 ASP H H 131 8.136 8.136 7.935 0.201 18027 9530 1 14 . 1 1 132 132 GLY N N 132 108.411 108.411 108.249 0.162 18027 9531 1 14 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.218 -1.711 18027 9532 1 14 . 1 1 132 132 GLY H H 132 7.460 7.460 8.270 -0.810 18027 9533 1 14 . 1 1 133 133 ASP N N 133 120.424 120.424 119.888 0.536 18027 9534 1 14 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.503 -0.207 18027 9535 1 14 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.339 -2.486 18027 9536 1 14 . 1 1 133 133 ASP H H 133 8.177 8.177 8.391 -0.214 18027 9537 1 14 . 1 1 134 134 GLY N N 134 112.396 112.396 107.315 5.081 18027 9538 1 14 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.171 -2.118 18027 9539 1 14 . 1 1 134 134 GLY H H 134 10.043 10.043 7.773 2.270 18027 9540 1 14 . 1 1 135 135 GLN N N 135 115.588 115.588 118.638 -3.050 18027 9541 1 14 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.201 -0.397 18027 9542 1 14 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.686 -3.271 18027 9543 1 14 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.592 -3.311 18027 9544 1 14 . 1 1 135 135 GLN H H 135 7.866 7.866 7.504 0.362 18027 9545 1 14 . 1 1 136 136 VAL N N 136 124.910 124.910 121.053 3.857 18027 9546 1 14 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.308 0.691 18027 9547 1 14 . 1 1 136 136 VAL CA C 136 58.707 58.707 61.042 -2.335 18027 9548 1 14 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.351 -2.271 18027 9549 1 14 . 1 1 136 136 VAL H H 136 8.856 8.856 8.897 -0.041 18027 9550 1 14 . 1 1 137 137 ASN N N 137 129.009 129.009 123.948 5.061 18027 9551 1 14 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.268 -0.095 18027 9552 1 14 . 1 1 137 137 ASN CA C 137 48.083 48.083 53.182 -5.099 18027 9553 1 14 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.836 -5.202 18027 9554 1 14 . 1 1 137 137 ASN H H 137 9.390 9.390 8.690 0.700 18027 9555 1 14 . 1 1 138 138 TYR N N 138 118.471 118.471 121.876 -3.405 18027 9556 1 14 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.466 0.012 18027 9557 1 14 . 1 1 138 138 TYR CA C 138 59.799 59.799 62.640 -2.841 18027 9558 1 14 . 1 1 138 138 TYR CB C 138 35.535 35.535 38.597 -3.062 18027 9559 1 14 . 1 1 138 138 TYR H H 138 8.075 8.075 9.242 -1.167 18027 9560 1 14 . 1 1 139 139 GLU N N 139 118.535 118.535 119.159 -0.624 18027 9561 1 14 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.242 -0.404 18027 9562 1 14 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.771 -2.239 18027 9563 1 14 . 1 1 139 139 GLU CB C 139 25.940 25.940 29.132 -3.192 18027 9564 1 14 . 1 1 139 139 GLU H H 139 7.925 7.925 8.882 -0.957 18027 9565 1 14 . 1 1 140 140 GLU N N 140 119.583 119.583 119.337 0.246 18027 9566 1 14 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.237 -0.388 18027 9567 1 14 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.250 -2.168 18027 9568 1 14 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.254 -2.743 18027 9569 1 14 . 1 1 140 140 GLU H H 140 8.664 8.664 8.695 -0.031 18027 9570 1 14 . 1 1 141 141 PHE N N 141 123.810 123.810 121.419 2.391 18027 9571 1 14 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.146 -0.425 18027 9572 1 14 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.444 -2.352 18027 9573 1 14 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.278 -1.573 18027 9574 1 14 . 1 1 141 141 PHE H H 141 8.395 8.395 8.084 0.311 18027 9575 1 14 . 1 1 142 142 VAL N N 142 118.551 118.551 117.761 0.790 18027 9576 1 14 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.626 -0.534 18027 9577 1 14 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.279 -2.098 18027 9578 1 14 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.434 -2.638 18027 9579 1 14 . 1 1 142 142 VAL H H 142 8.484 8.484 8.267 0.217 18027 9580 1 14 . 1 1 143 143 GLN N N 143 119.672 119.672 118.258 1.414 18027 9581 1 14 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.120 -0.282 18027 9582 1 14 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.037 -1.764 18027 9583 1 14 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.666 -3.755 18027 9584 1 14 . 1 1 143 143 GLN H H 143 7.803 7.803 7.573 0.230 18027 9585 1 14 . 1 1 144 144 MET N N 144 116.710 116.710 118.445 -1.735 18027 9586 1 14 . 1 1 144 144 MET HA H 144 3.943 3.943 4.143 -0.200 18027 9587 1 14 . 1 1 144 144 MET CA C 144 55.387 55.387 57.392 -2.005 18027 9588 1 14 . 1 1 144 144 MET CB C 144 29.709 29.709 32.277 -2.568 18027 9589 1 14 . 1 1 144 144 MET H H 144 7.322 7.322 7.539 -0.217 18027 9590 1 14 . 1 1 145 145 MET N N 145 114.879 114.879 114.663 0.216 18027 9591 1 14 . 1 1 145 145 MET HA H 145 4.062 4.062 4.271 -0.209 18027 9592 1 14 . 1 1 145 145 MET CA C 145 53.291 53.291 57.917 -4.626 18027 9593 1 14 . 1 1 145 145 MET CB C 145 29.253 29.253 33.206 -3.953 18027 9594 1 14 . 1 1 145 145 MET H H 145 7.467 7.467 7.488 -0.021 18027 9595 1 14 . 1 1 146 146 THR N N 146 108.698 108.698 110.018 -1.320 18027 9596 1 14 . 1 1 146 146 THR HA H 146 4.136 4.136 4.348 -0.212 18027 9597 1 14 . 1 1 146 146 THR CA C 146 59.201 59.201 61.490 -2.289 18027 9598 1 14 . 1 1 146 146 THR CB C 146 67.404 67.404 69.062 -1.658 18027 9599 1 14 . 1 1 146 146 THR H H 146 7.551 7.551 7.568 -0.017 18027 9600 1 14 . 1 1 147 147 ALA N N 147 126.669 126.669 124.481 2.188 18027 9601 1 14 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.472 -0.327 18027 9602 1 14 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.465 -1.392 18027 9603 1 14 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.438 -4.093 18027 9604 1 14 . 1 1 147 147 ALA H H 147 7.596 7.596 6.905 0.691 18027 9605 1 15 . 1 1 2 2 ASP N N 2 120.442 120.442 120.289 0.153 18027 9606 1 15 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.677 -0.224 18027 9607 1 15 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.999 -3.070 18027 9608 1 15 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.709 -3.204 18027 9609 1 15 . 1 1 2 2 ASP H H 2 8.521 8.521 8.575 -0.054 18027 9610 1 15 . 1 1 3 3 GLN N N 3 119.769 119.769 119.728 0.041 18027 9611 1 15 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.558 -0.340 18027 9612 1 15 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.183 -2.497 18027 9613 1 15 . 1 1 3 3 GLN H H 3 8.199 8.199 7.948 0.251 18027 9614 1 15 . 1 1 4 4 LEU N N 4 120.939 120.939 122.619 -1.680 18027 9615 1 15 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.581 -0.098 18027 9616 1 15 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.753 -3.169 18027 9617 1 15 . 1 1 4 4 LEU CB C 4 40.561 40.561 42.834 -2.273 18027 9618 1 15 . 1 1 4 4 LEU H H 4 7.510 7.510 8.458 -0.948 18027 9619 1 15 . 1 1 5 5 THR N N 5 112.777 112.777 116.677 -3.900 18027 9620 1 15 . 1 1 5 5 THR HA H 5 4.253 4.253 4.415 -0.162 18027 9621 1 15 . 1 1 5 5 THR CA C 5 57.873 57.873 61.406 -3.533 18027 9622 1 15 . 1 1 5 5 THR CB C 5 68.203 68.203 70.354 -2.151 18027 9623 1 15 . 1 1 5 5 THR H H 5 8.576 8.576 8.191 0.385 18027 9624 1 15 . 1 1 6 6 GLU N N 6 120.254 120.254 120.246 0.008 18027 9625 1 15 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.135 -0.341 18027 9626 1 15 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.134 -1.489 18027 9627 1 15 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.262 -2.977 18027 9628 1 15 . 1 1 6 6 GLU H H 6 8.874 8.874 8.713 0.161 18027 9629 1 15 . 1 1 7 7 GLU N N 7 119.637 119.637 118.453 1.184 18027 9630 1 15 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.209 -0.313 18027 9631 1 15 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.837 -1.661 18027 9632 1 15 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.506 -3.451 18027 9633 1 15 . 1 1 7 7 GLU H H 7 8.536 8.536 8.372 0.164 18027 9634 1 15 . 1 1 8 8 GLN N N 8 120.086 120.086 119.400 0.686 18027 9635 1 15 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.294 -0.456 18027 9636 1 15 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.121 -1.710 18027 9637 1 15 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.255 -2.630 18027 9638 1 15 . 1 1 8 8 GLN H H 8 7.499 7.499 7.860 -0.361 18027 9639 1 15 . 1 1 9 9 ILE N N 9 120.295 120.295 120.127 0.168 18027 9640 1 15 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.692 -0.025 18027 9641 1 15 . 1 1 9 9 ILE CA C 9 64.046 64.046 65.443 -1.397 18027 9642 1 15 . 1 1 9 9 ILE H H 9 8.405 8.405 8.715 -0.310 18027 9643 1 15 . 1 1 10 10 ALA N N 10 121.503 121.503 120.052 1.451 18027 9644 1 15 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.058 -0.147 18027 9645 1 15 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.136 -2.479 18027 9646 1 15 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.298 -3.323 18027 9647 1 15 . 1 1 10 10 ALA H H 10 7.949 7.949 8.094 -0.145 18027 9648 1 15 . 1 1 11 11 GLU N N 11 118.352 118.352 119.320 -0.968 18027 9649 1 15 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.102 -0.264 18027 9650 1 15 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.564 -1.891 18027 9651 1 15 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.598 -2.630 18027 9652 1 15 . 1 1 11 11 GLU H H 11 7.700 7.700 7.838 -0.138 18027 9653 1 15 . 1 1 12 12 PHE N N 12 117.277 117.277 120.565 -3.288 18027 9654 1 15 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.134 0.343 18027 9655 1 15 . 1 1 12 12 PHE CA C 12 59.655 59.655 62.580 -2.925 18027 9656 1 15 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.268 -3.733 18027 9657 1 15 . 1 1 12 12 PHE H H 12 8.211 8.211 8.392 -0.181 18027 9658 1 15 . 1 1 13 13 LYS N N 13 122.928 122.928 119.090 3.838 18027 9659 1 15 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.934 -0.009 18027 9660 1 15 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.378 -2.224 18027 9661 1 15 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.143 -5.974 18027 9662 1 15 . 1 1 13 13 LYS H H 13 8.925 8.925 7.982 0.943 18027 9663 1 15 . 1 1 14 14 GLU N N 14 119.706 119.706 117.253 2.453 18027 9664 1 15 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.214 -0.356 18027 9665 1 15 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.687 -2.351 18027 9666 1 15 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.851 -3.568 18027 9667 1 15 . 1 1 14 14 GLU H H 14 7.824 7.824 7.727 0.097 18027 9668 1 15 . 1 1 15 15 ALA N N 15 123.880 123.880 122.433 1.447 18027 9669 1 15 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.230 -0.363 18027 9670 1 15 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.284 -1.449 18027 9671 1 15 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.224 -3.021 18027 9672 1 15 . 1 1 15 15 ALA H H 15 8.124 8.124 8.061 0.063 18027 9673 1 15 . 1 1 16 16 PHE N N 16 118.972 118.972 118.916 0.056 18027 9674 1 15 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.208 -1.076 18027 9675 1 15 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.384 -0.401 18027 9676 1 15 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.374 -2.925 18027 9677 1 15 . 1 1 16 16 PHE H H 16 8.446 8.446 8.085 0.361 18027 9678 1 15 . 1 1 17 17 SER N N 17 114.737 114.737 113.957 0.780 18027 9679 1 15 . 1 1 17 17 SER HA H 17 3.902 3.902 4.304 -0.402 18027 9680 1 15 . 1 1 17 17 SER CA C 17 58.999 58.999 59.676 -0.677 18027 9681 1 15 . 1 1 17 17 SER CB C 17 60.436 60.436 62.802 -2.366 18027 9682 1 15 . 1 1 17 17 SER H H 17 7.874 7.874 7.681 0.193 18027 9683 1 15 . 1 1 18 18 LEU N N 18 120.225 120.225 120.909 -0.684 18027 9684 1 15 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.031 -0.246 18027 9685 1 15 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.171 -2.442 18027 9686 1 15 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.258 -4.096 18027 9687 1 15 . 1 1 18 18 LEU H H 18 7.183 7.183 7.330 -0.147 18027 9688 1 15 . 1 1 19 19 PHE N N 19 112.357 112.357 112.920 -0.563 18027 9689 1 15 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.364 -1.940 18027 9690 1 15 . 1 1 19 19 PHE H H 19 6.977 6.977 7.462 -0.485 18027 9691 1 15 . 1 1 20 20 ASP N N 20 117.274 117.274 119.934 -2.660 18027 9692 1 15 . 1 1 20 20 ASP HA H 20 4.432 4.432 5.039 -0.607 18027 9693 1 15 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.797 -3.285 18027 9694 1 15 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.465 -3.788 18027 9695 1 15 . 1 1 20 20 ASP H H 20 7.446 7.446 7.538 -0.092 18027 9696 1 15 . 1 1 21 21 LYS N N 21 124.296 124.296 121.613 2.683 18027 9697 1 15 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.208 -0.370 18027 9698 1 15 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.557 -1.878 18027 9699 1 15 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.284 -2.689 18027 9700 1 15 . 1 1 21 21 LYS H H 21 7.520 7.520 8.048 -0.528 18027 9701 1 15 . 1 1 22 22 ASP N N 22 113.761 113.761 119.339 -5.578 18027 9702 1 15 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.664 -0.230 18027 9703 1 15 . 1 1 22 22 ASP CA C 22 50.061 50.061 55.151 -5.090 18027 9704 1 15 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.466 -4.903 18027 9705 1 15 . 1 1 22 22 ASP H H 22 7.819 7.819 8.088 -0.269 18027 9706 1 15 . 1 1 23 23 GLY N N 23 108.838 108.838 106.542 2.296 18027 9707 1 15 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.637 -1.332 18027 9708 1 15 . 1 1 23 23 GLY H H 23 7.497 7.497 8.801 -1.304 18027 9709 1 15 . 1 1 24 24 ASP N N 24 120.790 120.790 120.547 0.243 18027 9710 1 15 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.715 -0.365 18027 9711 1 15 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.467 -3.614 18027 9712 1 15 . 1 1 24 24 ASP CB C 24 37.363 37.363 42.030 -4.667 18027 9713 1 15 . 1 1 24 24 ASP H H 24 8.312 8.312 8.257 0.055 18027 9714 1 15 . 1 1 25 25 GLY N N 25 112.499 112.499 110.877 1.622 18027 9715 1 15 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.189 -2.769 18027 9716 1 15 . 1 1 25 25 GLY H H 25 10.352 10.352 8.492 1.860 18027 9717 1 15 . 1 1 26 26 THR N N 26 111.781 111.781 111.959 -0.178 18027 9718 1 15 . 1 1 26 26 THR HA H 26 5.316 5.316 5.811 -0.495 18027 9719 1 15 . 1 1 26 26 THR CA C 26 56.878 56.878 60.700 -3.822 18027 9720 1 15 . 1 1 26 26 THR CB C 26 70.031 70.031 72.569 -2.538 18027 9721 1 15 . 1 1 26 26 THR H H 26 8.018 8.018 8.468 -0.450 18027 9722 1 15 . 1 1 27 27 ILE N N 27 126.162 126.162 124.199 1.963 18027 9723 1 15 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.581 0.077 18027 9724 1 15 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.254 -1.777 18027 9725 1 15 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.207 -1.635 18027 9726 1 15 . 1 1 27 27 ILE H H 27 9.769 9.769 8.639 1.130 18027 9727 1 15 . 1 1 28 28 THR N N 28 116.311 116.311 118.774 -2.463 18027 9728 1 15 . 1 1 28 28 THR HA H 28 4.669 4.669 5.100 -0.431 18027 9729 1 15 . 1 1 28 28 THR CA C 28 56.878 56.878 61.091 -4.213 18027 9730 1 15 . 1 1 28 28 THR CB C 28 69.688 69.688 70.607 -0.919 18027 9731 1 15 . 1 1 28 28 THR H H 28 8.302 8.302 8.250 0.052 18027 9732 1 15 . 1 1 29 29 THR N N 29 112.465 112.465 114.168 -1.703 18027 9733 1 15 . 1 1 29 29 THR HA H 29 3.633 3.633 4.001 -0.368 18027 9734 1 15 . 1 1 29 29 THR CA C 29 63.820 63.820 66.129 -2.309 18027 9735 1 15 . 1 1 29 29 THR CB C 29 65.160 65.160 68.387 -3.227 18027 9736 1 15 . 1 1 29 29 THR H H 29 9.078 9.078 8.647 0.431 18027 9737 1 15 . 1 1 30 30 LYS N N 30 120.792 120.792 120.714 0.078 18027 9738 1 15 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.227 -0.272 18027 9739 1 15 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.148 -2.579 18027 9740 1 15 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.431 -1.836 18027 9741 1 15 . 1 1 30 30 LYS H H 30 7.467 7.467 8.377 -0.910 18027 9742 1 15 . 1 1 31 31 GLU N N 31 121.359 121.359 120.681 0.678 18027 9743 1 15 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.172 -0.266 18027 9744 1 15 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.804 -2.127 18027 9745 1 15 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.595 -2.513 18027 9746 1 15 . 1 1 31 31 GLU H H 31 7.574 7.574 7.662 -0.088 18027 9747 1 15 . 1 1 32 32 LEU N N 32 120.087 120.087 121.023 -0.936 18027 9748 1 15 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.278 -0.221 18027 9749 1 15 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.819 -2.247 18027 9750 1 15 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.113 -2.261 18027 9751 1 15 . 1 1 32 32 LEU H H 32 8.712 8.712 8.030 0.682 18027 9752 1 15 . 1 1 33 33 GLY N N 33 105.634 105.634 105.128 0.506 18027 9753 1 15 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.170 -1.533 18027 9754 1 15 . 1 1 33 33 GLY H H 33 8.696 8.696 7.746 0.950 18027 9755 1 15 . 1 1 34 34 THR N N 34 117.265 117.265 118.789 -1.524 18027 9756 1 15 . 1 1 34 34 THR HA H 34 3.810 3.810 3.897 -0.087 18027 9757 1 15 . 1 1 34 34 THR CA C 34 64.259 64.259 66.494 -2.235 18027 9758 1 15 . 1 1 34 34 THR CB C 34 66.033 66.033 68.713 -2.680 18027 9759 1 15 . 1 1 34 34 THR H H 34 7.785 7.785 7.574 0.211 18027 9760 1 15 . 1 1 35 35 VAL N N 35 121.498 121.498 120.850 0.648 18027 9761 1 15 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.795 -0.394 18027 9762 1 15 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.392 -1.085 18027 9763 1 15 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.662 -2.866 18027 9764 1 15 . 1 1 35 35 VAL H H 35 7.268 7.268 7.478 -0.210 18027 9765 1 15 . 1 1 36 36 MET N N 36 117.302 117.302 118.933 -1.631 18027 9766 1 15 . 1 1 36 36 MET HA H 36 3.842 3.842 4.245 -0.403 18027 9767 1 15 . 1 1 36 36 MET CA C 36 56.606 56.606 57.967 -1.361 18027 9768 1 15 . 1 1 36 36 MET CB C 36 28.453 28.453 32.478 -4.025 18027 9769 1 15 . 1 1 36 36 MET H H 36 8.487 8.487 7.841 0.646 18027 9770 1 15 . 1 1 37 37 ARG N N 37 118.262 118.262 118.914 -0.652 18027 9771 1 15 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.398 0.259 18027 9772 1 15 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.865 -2.385 18027 9773 1 15 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.405 -3.666 18027 9774 1 15 . 1 1 37 37 ARG H H 37 8.330 8.330 7.787 0.543 18027 9775 1 15 . 1 1 38 38 SER N N 38 117.873 117.873 113.868 4.005 18027 9776 1 15 . 1 1 38 38 SER H H 38 7.815 7.815 7.536 0.279 18027 9777 1 15 . 1 1 39 39 LEU N N 39 117.970 117.970 118.498 -0.528 18027 9778 1 15 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.287 -0.215 18027 9779 1 15 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.211 -3.773 18027 9780 1 15 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.232 -4.070 18027 9781 1 15 . 1 1 39 39 LEU H H 39 7.326 7.326 7.510 -0.184 18027 9782 1 15 . 1 1 40 40 GLY N N 40 106.755 106.755 105.647 1.108 18027 9783 1 15 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.783 -2.119 18027 9784 1 15 . 1 1 40 40 GLY H H 40 7.636 7.636 7.531 0.105 18027 9785 1 15 . 1 1 41 41 GLN N N 41 118.316 118.316 119.787 -1.471 18027 9786 1 15 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.549 -0.264 18027 9787 1 15 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.561 -3.708 18027 9788 1 15 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.757 -4.446 18027 9789 1 15 . 1 1 41 41 GLN H H 41 7.827 7.827 7.639 0.188 18027 9790 1 15 . 1 1 42 42 ASN N N 42 115.866 115.866 123.108 -7.242 18027 9791 1 15 . 1 1 42 42 ASN HA H 42 5.013 5.013 4.996 0.017 18027 9792 1 15 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.740 -3.178 18027 9793 1 15 . 1 1 42 42 ASN CB C 42 36.318 36.318 38.658 -2.340 18027 9794 1 15 . 1 1 42 42 ASN H H 42 8.557 8.557 8.663 -0.106 18027 9795 1 15 . 1 1 44 44 THR N N 44 113.035 113.035 114.361 -1.326 18027 9796 1 15 . 1 1 44 44 THR HA H 44 4.296 4.296 4.572 -0.276 18027 9797 1 15 . 1 1 44 44 THR CA C 44 57.922 57.922 60.157 -2.235 18027 9798 1 15 . 1 1 44 44 THR CB C 44 68.317 68.317 71.199 -2.882 18027 9799 1 15 . 1 1 44 44 THR H H 44 8.694 8.694 8.028 0.666 18027 9800 1 15 . 1 1 45 45 GLU N N 45 120.283 120.283 121.157 -0.874 18027 9801 1 15 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.111 -0.215 18027 9802 1 15 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.409 -2.053 18027 9803 1 15 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.572 -3.856 18027 9804 1 15 . 1 1 45 45 GLU H H 45 8.687 8.687 8.836 -0.149 18027 9805 1 15 . 1 1 46 46 ALA N N 46 120.685 120.685 120.851 -0.166 18027 9806 1 15 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.232 -0.362 18027 9807 1 15 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.481 -2.165 18027 9808 1 15 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.181 -3.092 18027 9809 1 15 . 1 1 46 46 ALA H H 46 8.153 8.153 8.220 -0.067 18027 9810 1 15 . 1 1 47 47 GLU N N 47 118.546 118.546 117.802 0.744 18027 9811 1 15 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.191 -0.332 18027 9812 1 15 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.714 -2.206 18027 9813 1 15 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.227 -2.487 18027 9814 1 15 . 1 1 47 47 GLU H H 47 7.554 7.554 8.523 -0.969 18027 9815 1 15 . 1 1 48 48 LEU N N 48 120.085 120.085 120.010 0.075 18027 9816 1 15 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.098 -0.158 18027 9817 1 15 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.823 -2.455 18027 9818 1 15 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.845 -2.426 18027 9819 1 15 . 1 1 48 48 LEU H H 48 8.247 8.247 7.583 0.664 18027 9820 1 15 . 1 1 49 49 GLN N N 49 118.119 118.119 117.004 1.115 18027 9821 1 15 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.000 -0.087 18027 9822 1 15 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.906 -2.203 18027 9823 1 15 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.324 -1.927 18027 9824 1 15 . 1 1 49 49 GLN H H 49 7.891 7.891 7.794 0.097 18027 9825 1 15 . 1 1 50 50 ASP N N 50 119.263 119.263 120.794 -1.531 18027 9826 1 15 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.448 -0.269 18027 9827 1 15 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.824 -1.948 18027 9828 1 15 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.953 -3.705 18027 9829 1 15 . 1 1 50 50 ASP H H 50 7.803 7.803 7.623 0.180 18027 9830 1 15 . 1 1 51 51 MET N N 51 120.178 120.178 117.250 2.928 18027 9831 1 15 . 1 1 51 51 MET HA H 51 3.966 3.966 4.410 -0.444 18027 9832 1 15 . 1 1 51 51 MET CA C 51 57.074 57.074 58.564 -1.490 18027 9833 1 15 . 1 1 51 51 MET CB C 51 29.975 29.975 33.316 -3.341 18027 9834 1 15 . 1 1 51 51 MET H H 51 7.831 7.831 7.424 0.407 18027 9835 1 15 . 1 1 52 52 ILE N N 52 116.856 116.856 120.288 -3.432 18027 9836 1 15 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.710 -0.362 18027 9837 1 15 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.151 -2.476 18027 9838 1 15 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.648 -3.826 18027 9839 1 15 . 1 1 52 52 ILE H H 52 7.703 7.703 7.692 0.011 18027 9840 1 15 . 1 1 53 53 ASN N N 53 117.417 117.417 114.893 2.524 18027 9841 1 15 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.491 -0.238 18027 9842 1 15 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.597 -2.556 18027 9843 1 15 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.329 -3.251 18027 9844 1 15 . 1 1 53 53 ASN H H 53 8.187 8.187 7.928 0.259 18027 9845 1 15 . 1 1 54 54 GLU N N 54 116.996 116.996 118.189 -1.193 18027 9846 1 15 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.212 -0.353 18027 9847 1 15 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.469 -2.595 18027 9848 1 15 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.348 -3.950 18027 9849 1 15 . 1 1 54 54 GLU H H 54 7.391 7.391 7.445 -0.054 18027 9850 1 15 . 1 1 55 55 VAL N N 55 114.596 114.596 114.132 0.464 18027 9851 1 15 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.161 -0.174 18027 9852 1 15 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.661 -3.716 18027 9853 1 15 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.767 -2.029 18027 9854 1 15 . 1 1 55 55 VAL H H 55 7.151 7.151 7.561 -0.410 18027 9855 1 15 . 1 1 56 56 ASP N N 56 119.670 119.670 122.717 -3.047 18027 9856 1 15 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.411 -0.094 18027 9857 1 15 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.493 -4.138 18027 9858 1 15 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.248 -3.657 18027 9859 1 15 . 1 1 56 56 ASP H H 56 7.913 7.913 8.274 -0.361 18027 9860 1 15 . 1 1 57 57 ALA N N 57 131.491 131.491 129.206 2.285 18027 9861 1 15 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.193 -0.092 18027 9862 1 15 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.825 -2.642 18027 9863 1 15 . 1 1 57 57 ALA H H 57 8.126 8.126 8.802 -0.676 18027 9864 1 15 . 1 1 58 58 ASP N N 58 114.255 114.255 117.778 -3.523 18027 9865 1 15 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.653 -0.219 18027 9866 1 15 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.687 -4.727 18027 9867 1 15 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.459 -4.896 18027 9868 1 15 . 1 1 58 58 ASP H H 58 8.130 8.130 8.206 -0.076 18027 9869 1 15 . 1 1 59 59 GLY N N 59 108.987 108.987 107.318 1.669 18027 9870 1 15 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.326 -1.030 18027 9871 1 15 . 1 1 59 59 GLY H H 59 7.504 7.504 8.378 -0.874 18027 9872 1 15 . 1 1 60 60 ASN N N 60 118.770 118.770 118.608 0.162 18027 9873 1 15 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.876 -0.447 18027 9874 1 15 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.681 -2.822 18027 9875 1 15 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.333 -5.826 18027 9876 1 15 . 1 1 60 60 ASN H H 60 8.095 8.095 8.731 -0.636 18027 9877 1 15 . 1 1 61 61 GLY N N 61 112.773 112.773 109.130 3.643 18027 9878 1 15 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.272 -2.560 18027 9879 1 15 . 1 1 61 61 GLY H H 61 10.280 10.280 8.791 1.489 18027 9880 1 15 . 1 1 62 62 THR N N 62 108.117 108.117 110.718 -2.601 18027 9881 1 15 . 1 1 62 62 THR HA H 62 4.672 4.672 5.027 -0.355 18027 9882 1 15 . 1 1 62 62 THR CA C 62 56.878 56.878 59.755 -2.877 18027 9883 1 15 . 1 1 62 62 THR CB C 62 69.688 69.688 71.723 -2.035 18027 9884 1 15 . 1 1 62 62 THR H H 62 7.475 7.475 7.709 -0.234 18027 9885 1 15 . 1 1 63 63 ILE N N 63 122.642 122.642 123.050 -0.408 18027 9886 1 15 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.401 0.395 18027 9887 1 15 . 1 1 63 63 ILE CA C 63 57.812 57.812 59.986 -2.174 18027 9888 1 15 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.421 -4.058 18027 9889 1 15 . 1 1 63 63 ILE H H 63 8.449 8.449 8.309 0.140 18027 9890 1 15 . 1 1 64 64 ASP N N 64 128.633 128.633 125.700 2.933 18027 9891 1 15 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.282 0.034 18027 9892 1 15 . 1 1 64 64 ASP CA C 64 49.280 49.280 52.971 -3.691 18027 9893 1 15 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.819 -4.058 18027 9894 1 15 . 1 1 64 64 ASP H H 64 9.011 9.011 8.437 0.574 18027 9895 1 15 . 1 1 65 65 PHE N N 65 118.892 118.892 116.613 2.279 18027 9896 1 15 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.629 -0.862 18027 9897 1 15 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.628 -0.415 18027 9898 1 15 . 1 1 65 65 PHE H H 65 8.766 8.766 8.156 0.610 18027 9899 1 15 . 1 1 67 67 GLU N N 67 118.675 118.675 114.946 3.729 18027 9900 1 15 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.283 -0.446 18027 9901 1 15 . 1 1 67 67 GLU CA C 67 56.605 56.605 56.776 -0.171 18027 9902 1 15 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.632 -2.235 18027 9903 1 15 . 1 1 67 67 GLU H H 67 7.487 7.487 8.661 -1.174 18027 9904 1 15 . 1 1 68 68 PHE N N 68 123.182 123.182 121.533 1.649 18027 9905 1 15 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.201 -0.533 18027 9906 1 15 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.975 -3.546 18027 9907 1 15 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.564 -1.973 18027 9908 1 15 . 1 1 68 68 PHE H H 68 8.066 8.066 7.488 0.578 18027 9909 1 15 . 1 1 69 69 LEU N N 69 119.530 119.530 113.742 5.788 18027 9910 1 15 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.360 -0.405 18027 9911 1 15 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.642 -1.868 18027 9912 1 15 . 1 1 69 69 LEU CB C 69 39.419 39.419 40.438 -1.019 18027 9913 1 15 . 1 1 69 69 LEU H H 69 8.672 8.672 8.260 0.412 18027 9914 1 15 . 1 1 70 70 THR N N 70 113.765 113.765 115.718 -1.953 18027 9915 1 15 . 1 1 70 70 THR HA H 70 3.806 3.806 4.019 -0.213 18027 9916 1 15 . 1 1 70 70 THR CA C 70 63.861 63.861 66.107 -2.246 18027 9917 1 15 . 1 1 70 70 THR CB C 70 66.147 66.147 68.531 -2.384 18027 9918 1 15 . 1 1 70 70 THR H H 70 7.909 7.909 7.082 0.827 18027 9919 1 15 . 1 1 71 71 MET N N 71 119.518 119.518 119.910 -0.392 18027 9920 1 15 . 1 1 71 71 MET HA H 71 3.881 3.881 4.152 -0.271 18027 9921 1 15 . 1 1 71 71 MET CA C 71 56.106 56.106 59.054 -2.948 18027 9922 1 15 . 1 1 71 71 MET CB C 71 29.595 29.595 32.846 -3.251 18027 9923 1 15 . 1 1 71 71 MET H H 71 7.120 7.120 7.376 -0.256 18027 9924 1 15 . 1 1 72 72 MET N N 72 116.280 116.280 115.404 0.876 18027 9925 1 15 . 1 1 72 72 MET HA H 72 3.817 3.817 4.274 -0.457 18027 9926 1 15 . 1 1 72 72 MET CA C 72 55.111 55.111 58.350 -3.239 18027 9927 1 15 . 1 1 72 72 MET CB C 72 27.892 27.892 32.139 -4.247 18027 9928 1 15 . 1 1 72 72 MET H H 72 7.737 7.737 7.602 0.135 18027 9929 1 15 . 1 1 73 73 ALA N N 73 119.984 119.984 119.864 0.120 18027 9930 1 15 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.172 -0.334 18027 9931 1 15 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.461 -1.649 18027 9932 1 15 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.483 -3.280 18027 9933 1 15 . 1 1 73 73 ALA H H 73 8.322 8.322 7.781 0.541 18027 9934 1 15 . 1 1 74 74 ARG N N 74 116.354 116.354 118.837 -2.483 18027 9935 1 15 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.149 -0.311 18027 9936 1 15 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.933 -2.976 18027 9937 1 15 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.596 -5.341 18027 9938 1 15 . 1 1 74 74 ARG H H 74 7.264 7.264 7.565 -0.301 18027 9939 1 15 . 1 1 75 75 LYS N N 75 120.084 120.084 118.524 1.560 18027 9940 1 15 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.443 -0.495 18027 9941 1 15 . 1 1 75 75 LYS CA C 75 54.859 54.859 56.909 -2.050 18027 9942 1 15 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.003 -3.322 18027 9943 1 15 . 1 1 75 75 LYS H H 75 7.756 7.756 7.722 0.034 18027 9944 1 15 . 1 1 76 76 MET N N 76 117.139 117.139 118.911 -1.772 18027 9945 1 15 . 1 1 76 76 MET HA H 76 4.168 4.168 4.458 -0.290 18027 9946 1 15 . 1 1 76 76 MET CA C 76 54.704 54.704 54.627 0.077 18027 9947 1 15 . 1 1 76 76 MET CB C 76 30.052 30.052 32.230 -2.178 18027 9948 1 15 . 1 1 76 76 MET H H 76 7.985 7.985 7.565 0.420 18027 9949 1 15 . 1 1 77 77 LYS N N 77 116.614 116.614 118.445 -1.831 18027 9950 1 15 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.404 -0.183 18027 9951 1 15 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.737 -3.553 18027 9952 1 15 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.580 -6.297 18027 9953 1 15 . 1 1 77 77 LYS H H 77 7.275 7.275 7.593 -0.318 18027 9954 1 15 . 1 1 78 78 ASP N N 78 123.187 123.187 120.722 2.465 18027 9955 1 15 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.762 -0.311 18027 9956 1 15 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.940 -3.208 18027 9957 1 15 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.123 -2.732 18027 9958 1 15 . 1 1 78 78 ASP H H 78 8.181 8.181 7.820 0.361 18027 9959 1 15 . 1 1 79 79 THR N N 79 114.325 114.325 110.554 3.771 18027 9960 1 15 . 1 1 79 79 THR HA H 79 4.034 4.034 3.946 0.088 18027 9961 1 15 . 1 1 79 79 THR CA C 79 61.322 61.322 63.947 -2.625 18027 9962 1 15 . 1 1 79 79 THR CB C 79 66.147 66.147 67.575 -1.428 18027 9963 1 15 . 1 1 79 79 THR H H 79 8.377 8.377 8.247 0.130 18027 9964 1 15 . 1 1 80 80 ASP N N 80 120.844 120.844 119.775 1.069 18027 9965 1 15 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.817 -0.512 18027 9966 1 15 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.809 -3.137 18027 9967 1 15 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.810 -3.219 18027 9968 1 15 . 1 1 80 80 ASP H H 80 8.223 8.223 8.582 -0.359 18027 9969 1 15 . 1 1 81 81 SER N N 81 115.729 115.729 114.201 1.528 18027 9970 1 15 . 1 1 81 81 SER HA H 81 3.911 3.911 4.721 -0.810 18027 9971 1 15 . 1 1 81 81 SER CA C 81 57.939 57.939 59.482 -1.543 18027 9972 1 15 . 1 1 81 81 SER CB C 81 60.664 60.664 62.822 -2.158 18027 9973 1 15 . 1 1 81 81 SER H H 81 7.785 7.785 8.266 -0.481 18027 9974 1 15 . 1 1 82 82 GLU N N 82 121.960 121.960 122.964 -1.004 18027 9975 1 15 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.136 -0.240 18027 9976 1 15 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.718 -1.889 18027 9977 1 15 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.454 -2.829 18027 9978 1 15 . 1 1 82 82 GLU H H 82 8.208 8.208 8.564 -0.356 18027 9979 1 15 . 1 1 83 83 GLU N N 83 118.040 118.040 116.946 1.094 18027 9980 1 15 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.174 -0.336 18027 9981 1 15 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.437 -2.491 18027 9982 1 15 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.262 -2.430 18027 9983 1 15 . 1 1 83 83 GLU H H 83 7.898 7.898 7.754 0.144 18027 9984 1 15 . 1 1 84 84 GLU N N 84 118.825 118.825 118.808 0.017 18027 9985 1 15 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.936 -4.178 18027 9986 1 15 . 1 1 84 84 GLU CB C 84 30.852 30.852 30.068 0.784 18027 9987 1 15 . 1 1 84 84 GLU H H 84 8.154 8.154 7.693 0.461 18027 9988 1 15 . 1 1 85 85 ILE N N 85 119.310 119.310 119.448 -0.138 18027 9989 1 15 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.930 -0.163 18027 9990 1 15 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.550 -4.692 18027 9991 1 15 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.812 -2.163 18027 9992 1 15 . 1 1 85 85 ILE H H 85 7.793 7.793 7.454 0.339 18027 9993 1 15 . 1 1 86 86 ARG N N 86 120.640 120.640 119.948 0.692 18027 9994 1 15 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.975 -0.050 18027 9995 1 15 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.625 -2.360 18027 9996 1 15 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.398 -2.544 18027 9997 1 15 . 1 1 86 86 ARG H H 86 8.177 8.177 7.792 0.385 18027 9998 1 15 . 1 1 87 87 GLU N N 87 119.448 119.448 119.893 -0.445 18027 9999 1 15 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.180 -0.328 18027 10000 1 15 . 1 1 87 87 GLU CA C 87 56.643 56.643 59.141 -2.498 18027 10001 1 15 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.219 -3.165 18027 10002 1 15 . 1 1 87 87 GLU H H 87 7.828 7.828 7.833 -0.005 18027 10003 1 15 . 1 1 88 88 ALA N N 88 122.592 122.592 122.209 0.383 18027 10004 1 15 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.292 -0.264 18027 10005 1 15 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.872 -2.276 18027 10006 1 15 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.643 -4.011 18027 10007 1 15 . 1 1 88 88 ALA H H 88 8.283 8.283 7.292 0.992 18027 10008 1 15 . 1 1 89 89 PHE N N 89 119.245 119.245 119.050 0.195 18027 10009 1 15 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.040 -0.926 18027 10010 1 15 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.077 -1.532 18027 10011 1 15 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.642 -3.307 18027 10012 1 15 . 1 1 89 89 PHE H H 89 8.423 8.423 8.865 -0.442 18027 10013 1 15 . 1 1 90 90 ARG N N 90 117.455 117.455 119.274 -1.819 18027 10014 1 15 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.289 -0.440 18027 10015 1 15 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.079 -2.766 18027 10016 1 15 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.619 -2.422 18027 10017 1 15 . 1 1 90 90 ARG H H 90 7.840 7.840 7.876 -0.036 18027 10018 1 15 . 1 1 91 91 VAL N N 91 118.698 118.698 118.840 -0.142 18027 10019 1 15 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.698 -0.446 18027 10020 1 15 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.845 -1.512 18027 10021 1 15 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.661 -3.551 18027 10022 1 15 . 1 1 91 91 VAL H H 91 7.262 7.262 7.233 0.029 18027 10023 1 15 . 1 1 92 92 PHE N N 92 112.495 112.495 117.434 -4.939 18027 10024 1 15 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.274 -0.340 18027 10025 1 15 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.091 -2.910 18027 10026 1 15 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.564 -0.145 18027 10027 1 15 . 1 1 92 92 PHE H H 92 6.693 6.693 7.285 -0.592 18027 10028 1 15 . 1 1 93 93 ASP N N 93 117.214 117.214 118.475 -1.261 18027 10029 1 15 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.607 -0.173 18027 10030 1 15 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.407 -2.626 18027 10031 1 15 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.145 -2.696 18027 10032 1 15 . 1 1 93 93 ASP H H 93 7.954 7.954 7.897 0.057 18027 10033 1 15 . 1 1 94 94 LYS N N 94 125.565 125.565 123.692 1.873 18027 10034 1 15 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.274 -0.495 18027 10035 1 15 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.392 -2.713 18027 10036 1 15 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.496 -2.901 18027 10037 1 15 . 1 1 94 94 LYS H H 94 7.671 7.671 8.044 -0.373 18027 10038 1 15 . 1 1 95 95 ASP N N 95 114.041 114.041 116.426 -2.385 18027 10039 1 15 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.777 -0.369 18027 10040 1 15 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.965 -3.752 18027 10041 1 15 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.380 -4.817 18027 10042 1 15 . 1 1 95 95 ASP H H 95 7.944 7.944 7.994 -0.050 18027 10043 1 15 . 1 1 96 96 GLY N N 96 108.849 108.849 108.301 0.548 18027 10044 1 15 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.967 -1.768 18027 10045 1 15 . 1 1 96 96 GLY H H 96 7.529 7.529 7.559 -0.030 18027 10046 1 15 . 1 1 97 97 ASN N N 97 119.410 119.410 119.302 0.108 18027 10047 1 15 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.644 -0.220 18027 10048 1 15 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.099 -3.416 18027 10049 1 15 . 1 1 97 97 ASN CB C 97 36.563 36.563 39.073 -2.510 18027 10050 1 15 . 1 1 97 97 ASN H H 97 8.234 8.234 8.301 -0.067 18027 10051 1 15 . 1 1 98 98 GLY N N 98 112.073 112.073 105.869 6.204 18027 10052 1 15 . 1 1 98 98 GLY CA C 98 42.176 42.176 46.093 -3.917 18027 10053 1 15 . 1 1 98 98 GLY H H 98 10.298 10.298 8.265 2.033 18027 10054 1 15 . 1 1 99 99 TYR N N 99 116.011 116.011 117.811 -1.800 18027 10055 1 15 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.001 -0.183 18027 10056 1 15 . 1 1 99 99 TYR CA C 99 53.681 53.681 56.922 -3.240 18027 10057 1 15 . 1 1 99 99 TYR CB C 99 39.875 39.875 42.164 -2.289 18027 10058 1 15 . 1 1 99 99 TYR H H 99 7.497 7.497 7.640 -0.143 18027 10059 1 15 . 1 1 100 100 ILE N N 100 126.793 126.793 122.553 4.240 18027 10060 1 15 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.181 0.242 18027 10061 1 15 . 1 1 100 100 ILE CA C 100 58.629 58.629 61.139 -2.510 18027 10062 1 15 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.665 -2.917 18027 10063 1 15 . 1 1 100 100 ILE H H 100 9.833 9.833 8.687 1.146 18027 10064 1 15 . 1 1 101 101 SER N N 101 123.825 123.825 123.360 0.465 18027 10065 1 15 . 1 1 101 101 SER HA H 101 4.657 4.657 4.584 0.073 18027 10066 1 15 . 1 1 101 101 SER CA C 101 53.060 53.060 58.495 -5.435 18027 10067 1 15 . 1 1 101 101 SER CB C 101 64.091 64.091 64.537 -0.446 18027 10068 1 15 . 1 1 101 101 SER H H 101 8.870 8.870 8.662 0.208 18027 10069 1 15 . 1 1 102 102 ALA N N 102 122.909 122.909 127.121 -4.212 18027 10070 1 15 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.095 -0.331 18027 10071 1 15 . 1 1 102 102 ALA CA C 102 53.050 53.050 54.957 -1.907 18027 10072 1 15 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.582 -3.607 18027 10073 1 15 . 1 1 102 102 ALA H H 102 9.209 9.209 8.988 0.221 18027 10074 1 15 . 1 1 103 103 ALA N N 103 118.692 118.692 120.227 -1.535 18027 10075 1 15 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.103 -0.229 18027 10076 1 15 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.726 -2.241 18027 10077 1 15 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.320 -3.117 18027 10078 1 15 . 1 1 103 103 ALA H H 103 8.146 8.146 8.320 -0.174 18027 10079 1 15 . 1 1 104 104 GLU N N 104 120.098 120.098 118.855 1.243 18027 10080 1 15 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.166 -0.303 18027 10081 1 15 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.895 -2.320 18027 10082 1 15 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.494 -4.125 18027 10083 1 15 . 1 1 104 104 GLU H H 104 7.832 7.832 8.018 -0.186 18027 10084 1 15 . 1 1 105 105 LEU N N 105 121.466 121.466 120.483 0.983 18027 10085 1 15 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.124 -0.008 18027 10086 1 15 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.755 -2.059 18027 10087 1 15 . 1 1 105 105 LEU CB C 105 38.962 38.962 42.025 -3.063 18027 10088 1 15 . 1 1 105 105 LEU H H 105 8.300 8.300 7.587 0.713 18027 10089 1 15 . 1 1 106 106 ARG N N 106 118.978 118.978 118.642 0.336 18027 10090 1 15 . 1 1 106 106 ARG HA H 106 3.852 3.852 4.024 -0.172 18027 10091 1 15 . 1 1 106 106 ARG CA C 106 57.434 57.434 58.933 -1.499 18027 10092 1 15 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.627 -2.543 18027 10093 1 15 . 1 1 106 106 ARG H H 106 8.882 8.882 7.666 1.216 18027 10094 1 15 . 1 1 107 107 HIS N N 107 118.543 118.543 119.013 -0.470 18027 10095 1 15 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.289 -0.089 18027 10096 1 15 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.745 -2.920 18027 10097 1 15 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.560 -2.820 18027 10098 1 15 . 1 1 107 107 HIS H H 107 7.991 7.991 7.715 0.276 18027 10099 1 15 . 1 1 108 108 VAL N N 108 118.687 118.687 118.395 0.292 18027 10100 1 15 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.744 -0.652 18027 10101 1 15 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.610 -2.400 18027 10102 1 15 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.825 -2.915 18027 10103 1 15 . 1 1 108 108 VAL H H 108 7.425 7.425 7.503 -0.078 18027 10104 1 15 . 1 1 109 109 MET N N 109 115.725 115.725 117.436 -1.711 18027 10105 1 15 . 1 1 109 109 MET HA H 109 3.944 3.944 4.237 -0.293 18027 10106 1 15 . 1 1 109 109 MET CA C 109 55.212 55.212 59.024 -3.812 18027 10107 1 15 . 1 1 109 109 MET CB C 109 27.425 27.425 32.841 -5.416 18027 10108 1 15 . 1 1 109 109 MET H H 109 7.972 7.972 7.478 0.494 18027 10109 1 15 . 1 1 110 110 THR N N 110 116.999 116.999 114.682 2.317 18027 10110 1 15 . 1 1 110 110 THR HA H 110 3.852 3.852 4.485 -0.633 18027 10111 1 15 . 1 1 110 110 THR CA C 110 63.918 63.918 65.136 -1.218 18027 10112 1 15 . 1 1 110 110 THR CB C 110 65.844 65.844 68.444 -2.600 18027 10113 1 15 . 1 1 110 110 THR H H 110 8.691 8.691 8.559 0.132 18027 10114 1 15 . 1 1 111 111 ASN N N 111 123.893 123.893 120.452 3.441 18027 10115 1 15 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.530 -0.289 18027 10116 1 15 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.125 -2.176 18027 10117 1 15 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.653 -3.689 18027 10118 1 15 . 1 1 111 111 ASN H H 111 7.911 7.911 8.046 -0.135 18027 10119 1 15 . 1 1 112 112 LEU N N 112 119.244 119.244 116.903 2.341 18027 10120 1 15 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.194 -0.122 18027 10121 1 15 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.015 -2.114 18027 10122 1 15 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.382 -2.849 18027 10123 1 15 . 1 1 112 112 LEU H H 112 7.618 7.618 7.217 0.401 18027 10124 1 15 . 1 1 113 113 GLY N N 113 107.263 107.263 106.199 1.064 18027 10125 1 15 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.700 -2.263 18027 10126 1 15 . 1 1 113 113 GLY H H 113 7.743 7.743 7.331 0.412 18027 10127 1 15 . 1 1 114 114 GLU N N 114 120.073 120.073 118.910 1.163 18027 10128 1 15 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.577 -0.287 18027 10129 1 15 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.788 -3.262 18027 10130 1 15 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.948 -5.409 18027 10131 1 15 . 1 1 114 114 GLU H H 114 7.857 7.857 7.859 -0.002 18027 10132 1 15 . 1 1 115 115 LYS N N 115 124.142 124.142 124.049 0.093 18027 10133 1 15 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.524 -0.304 18027 10134 1 15 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.647 -2.753 18027 10135 1 15 . 1 1 115 115 LYS CB C 115 29.481 29.481 32.626 -3.145 18027 10136 1 15 . 1 1 115 115 LYS H H 115 8.377 8.377 8.526 -0.149 18027 10137 1 15 . 1 1 116 116 LEU N N 116 125.240 125.240 122.837 2.403 18027 10138 1 15 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.780 -0.308 18027 10139 1 15 . 1 1 116 116 LEU CA C 116 51.438 51.438 52.896 -1.458 18027 10140 1 15 . 1 1 116 116 LEU CB C 116 40.675 40.675 43.809 -3.134 18027 10141 1 15 . 1 1 116 116 LEU H H 116 8.002 8.002 8.145 -0.143 18027 10142 1 15 . 1 1 117 117 THR N N 117 113.520 113.520 111.865 1.655 18027 10143 1 15 . 1 1 117 117 THR CA C 117 57.922 57.922 61.511 -3.589 18027 10144 1 15 . 1 1 117 117 THR CB C 117 68.352 68.352 69.734 -1.382 18027 10145 1 15 . 1 1 117 117 THR H H 117 8.927 8.927 8.593 0.334 18027 10146 1 15 . 1 1 118 118 ASP N N 118 120.859 120.859 120.773 0.086 18027 10147 1 15 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.428 -0.385 18027 10148 1 15 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.033 -1.868 18027 10149 1 15 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.916 -4.142 18027 10150 1 15 . 1 1 118 118 ASP H H 118 8.754 8.754 8.814 -0.060 18027 10151 1 15 . 1 1 119 119 GLU N N 119 119.112 119.112 118.418 0.694 18027 10152 1 15 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.004 -0.077 18027 10153 1 15 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.036 -1.846 18027 10154 1 15 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.330 -3.047 18027 10155 1 15 . 1 1 119 119 GLU H H 119 8.507 8.507 8.777 -0.270 18027 10156 1 15 . 1 1 120 120 GLU N N 120 120.059 120.059 117.590 2.469 18027 10157 1 15 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.153 -0.295 18027 10158 1 15 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.086 -1.627 18027 10159 1 15 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.846 -2.329 18027 10160 1 15 . 1 1 120 120 GLU H H 120 7.809 7.809 7.612 0.197 18027 10161 1 15 . 1 1 121 121 VAL N N 121 120.512 120.512 119.135 1.377 18027 10162 1 15 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.678 -0.206 18027 10163 1 15 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.054 -1.972 18027 10164 1 15 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.632 -3.065 18027 10165 1 15 . 1 1 121 121 VAL H H 121 7.898 7.898 7.517 0.381 18027 10166 1 15 . 1 1 122 122 ASP N N 122 119.857 119.857 119.518 0.339 18027 10167 1 15 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.338 -0.170 18027 10168 1 15 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.838 -2.932 18027 10169 1 15 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.863 -3.386 18027 10170 1 15 . 1 1 122 122 ASP H H 122 7.897 7.897 7.731 0.166 18027 10171 1 15 . 1 1 123 123 GLU N N 123 119.630 119.630 118.442 1.188 18027 10172 1 15 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.107 -0.269 18027 10173 1 15 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.574 -1.497 18027 10174 1 15 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.607 -3.438 18027 10175 1 15 . 1 1 123 123 GLU H H 123 7.963 7.963 7.541 0.422 18027 10176 1 15 . 1 1 124 124 MET N N 124 119.144 119.144 116.957 2.187 18027 10177 1 15 . 1 1 124 124 MET HA H 124 3.859 3.859 4.205 -0.346 18027 10178 1 15 . 1 1 124 124 MET CA C 124 56.508 56.508 58.645 -2.137 18027 10179 1 15 . 1 1 124 124 MET CB C 124 29.253 29.253 33.305 -4.052 18027 10180 1 15 . 1 1 124 124 MET H H 124 7.631 7.631 7.399 0.232 18027 10181 1 15 . 1 1 125 125 ILE N N 125 117.557 117.557 119.795 -2.238 18027 10182 1 15 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.997 -0.713 18027 10183 1 15 . 1 1 125 125 ILE CA C 125 61.139 61.139 65.194 -4.055 18027 10184 1 15 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.984 -3.934 18027 10185 1 15 . 1 1 125 125 ILE H H 125 7.669 7.669 7.370 0.299 18027 10186 1 15 . 1 1 126 126 ARG N N 126 118.414 118.414 118.972 -0.558 18027 10187 1 15 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.143 -0.285 18027 10188 1 15 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.552 -1.750 18027 10189 1 15 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.846 -2.421 18027 10190 1 15 . 1 1 126 126 ARG H H 126 7.952 7.952 7.533 0.419 18027 10191 1 15 . 1 1 127 127 GLU N N 127 116.143 116.143 118.009 -1.866 18027 10192 1 15 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.318 -0.460 18027 10193 1 15 . 1 1 127 127 GLU CA C 127 56.215 56.215 57.915 -1.700 18027 10194 1 15 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.085 -2.888 18027 10195 1 15 . 1 1 127 127 GLU H H 127 7.294 7.294 7.834 -0.540 18027 10196 1 15 . 1 1 128 128 ALA N N 128 116.994 116.994 118.618 -1.624 18027 10197 1 15 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.552 -0.099 18027 10198 1 15 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.674 -3.502 18027 10199 1 15 . 1 1 128 128 ALA CB C 128 19.772 19.772 21.170 -1.398 18027 10200 1 15 . 1 1 128 128 ALA H H 128 7.110 7.110 7.280 -0.170 18027 10201 1 15 . 1 1 129 129 ASP N N 129 117.846 117.846 121.544 -3.698 18027 10202 1 15 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.864 -0.422 18027 10203 1 15 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.239 -2.606 18027 10204 1 15 . 1 1 129 129 ASP CB C 129 38.505 38.505 41.276 -2.771 18027 10205 1 15 . 1 1 129 129 ASP H H 129 7.508 7.508 8.444 -0.936 18027 10206 1 15 . 1 1 130 130 ILE N N 130 128.118 128.118 120.766 7.352 18027 10207 1 15 . 1 1 130 130 ILE HA H 130 3.750 3.750 3.975 -0.225 18027 10208 1 15 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.823 -3.240 18027 10209 1 15 . 1 1 130 130 ILE CB C 130 35.763 35.763 37.817 -2.054 18027 10210 1 15 . 1 1 130 130 ILE H H 130 8.168 8.168 8.444 -0.276 18027 10211 1 15 . 1 1 131 131 ASP N N 131 116.572 116.572 119.427 -2.855 18027 10212 1 15 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.553 -0.257 18027 10213 1 15 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.855 -2.732 18027 10214 1 15 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.602 -3.125 18027 10215 1 15 . 1 1 131 131 ASP H H 131 8.136 8.136 8.025 0.111 18027 10216 1 15 . 1 1 132 132 GLY N N 132 108.411 108.411 109.136 -0.725 18027 10217 1 15 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.000 -1.493 18027 10218 1 15 . 1 1 132 132 GLY H H 132 7.460 7.460 8.353 -0.893 18027 10219 1 15 . 1 1 133 133 ASP N N 133 120.424 120.424 119.885 0.539 18027 10220 1 15 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.518 -0.222 18027 10221 1 15 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.937 -3.084 18027 10222 1 15 . 1 1 133 133 ASP H H 133 8.177 8.177 8.166 0.011 18027 10223 1 15 . 1 1 134 134 GLY N N 134 112.396 112.396 106.459 5.937 18027 10224 1 15 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.281 -2.228 18027 10225 1 15 . 1 1 134 134 GLY H H 134 10.043 10.043 7.863 2.180 18027 10226 1 15 . 1 1 135 135 GLN N N 135 115.588 115.588 118.947 -3.359 18027 10227 1 15 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.035 -0.231 18027 10228 1 15 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.926 -3.511 18027 10229 1 15 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.325 -3.043 18027 10230 1 15 . 1 1 135 135 GLN H H 135 7.866 7.866 7.550 0.316 18027 10231 1 15 . 1 1 136 136 VAL N N 136 124.910 124.910 120.836 4.074 18027 10232 1 15 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.431 0.568 18027 10233 1 15 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.726 -2.019 18027 10234 1 15 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.088 -2.008 18027 10235 1 15 . 1 1 136 136 VAL H H 136 8.856 8.856 8.293 0.563 18027 10236 1 15 . 1 1 137 137 ASN N N 137 129.009 129.009 122.517 6.492 18027 10237 1 15 . 1 1 137 137 ASN HA H 137 5.173 5.173 4.865 0.308 18027 10238 1 15 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.447 -3.364 18027 10239 1 15 . 1 1 137 137 ASN CB C 137 35.634 35.634 39.868 -4.234 18027 10240 1 15 . 1 1 137 137 ASN H H 137 9.390 9.390 8.393 0.997 18027 10241 1 15 . 1 1 138 138 TYR N N 138 118.471 118.471 118.581 -0.110 18027 10242 1 15 . 1 1 138 138 TYR HA H 138 4.478 4.478 3.958 0.520 18027 10243 1 15 . 1 1 138 138 TYR CA C 138 59.799 59.799 60.962 -1.163 18027 10244 1 15 . 1 1 138 138 TYR CB C 138 35.535 35.535 36.865 -1.330 18027 10245 1 15 . 1 1 138 138 TYR H H 138 8.075 8.075 8.138 -0.063 18027 10246 1 15 . 1 1 139 139 GLU N N 139 118.535 118.535 120.179 -1.644 18027 10247 1 15 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.021 -0.183 18027 10248 1 15 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.625 -2.093 18027 10249 1 15 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.525 -2.585 18027 10250 1 15 . 1 1 139 139 GLU H H 139 7.925 7.925 7.794 0.131 18027 10251 1 15 . 1 1 140 140 GLU N N 140 119.583 119.583 118.797 0.786 18027 10252 1 15 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.141 -0.292 18027 10253 1 15 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.452 -2.370 18027 10254 1 15 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.055 -2.544 18027 10255 1 15 . 1 1 140 140 GLU H H 140 8.664 8.664 8.175 0.489 18027 10256 1 15 . 1 1 141 141 PHE N N 141 123.810 123.810 120.702 3.108 18027 10257 1 15 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.224 -0.503 18027 10258 1 15 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.534 -2.442 18027 10259 1 15 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.295 -1.590 18027 10260 1 15 . 1 1 141 141 PHE H H 141 8.395 8.395 8.154 0.241 18027 10261 1 15 . 1 1 142 142 VAL N N 142 118.551 118.551 118.283 0.268 18027 10262 1 15 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.690 -0.598 18027 10263 1 15 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.309 -2.127 18027 10264 1 15 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.996 -3.200 18027 10265 1 15 . 1 1 142 142 VAL H H 142 8.484 8.484 7.984 0.500 18027 10266 1 15 . 1 1 143 143 GLN N N 143 119.672 119.672 118.088 1.584 18027 10267 1 15 . 1 1 143 143 GLN HA H 143 3.838 3.838 3.977 -0.139 18027 10268 1 15 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.445 -2.172 18027 10269 1 15 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.631 -3.719 18027 10270 1 15 . 1 1 143 143 GLN H H 143 7.803 7.803 7.466 0.337 18027 10271 1 15 . 1 1 144 144 MET N N 144 116.710 116.710 116.317 0.393 18027 10272 1 15 . 1 1 144 144 MET HA H 144 3.943 3.943 4.248 -0.305 18027 10273 1 15 . 1 1 144 144 MET CA C 144 55.387 55.387 56.719 -1.332 18027 10274 1 15 . 1 1 144 144 MET CB C 144 29.709 29.709 32.523 -2.814 18027 10275 1 15 . 1 1 144 144 MET H H 144 7.322 7.322 7.511 -0.189 18027 10276 1 15 . 1 1 145 145 MET N N 145 114.879 114.879 116.477 -1.598 18027 10277 1 15 . 1 1 145 145 MET HA H 145 4.062 4.062 4.425 -0.363 18027 10278 1 15 . 1 1 145 145 MET CA C 145 53.291 53.291 56.697 -3.405 18027 10279 1 15 . 1 1 145 145 MET CB C 145 29.253 29.253 32.788 -3.535 18027 10280 1 15 . 1 1 145 145 MET H H 145 7.467 7.467 7.551 -0.084 18027 10281 1 15 . 1 1 146 146 THR N N 146 108.698 108.698 113.371 -4.673 18027 10282 1 15 . 1 1 146 146 THR HA H 146 4.136 4.136 4.396 -0.260 18027 10283 1 15 . 1 1 146 146 THR CA C 146 59.201 59.201 61.895 -2.694 18027 10284 1 15 . 1 1 146 146 THR CB C 146 67.404 67.404 69.525 -2.121 18027 10285 1 15 . 1 1 146 146 THR H H 146 7.551 7.551 7.623 -0.072 18027 10286 1 15 . 1 1 147 147 ALA N N 147 126.669 126.669 124.487 2.182 18027 10287 1 15 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.505 -0.360 18027 10288 1 15 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.553 -1.480 18027 10289 1 15 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.241 -3.896 18027 10290 1 15 . 1 1 147 147 ALA H H 147 7.596 7.596 7.172 0.424 18027 10291 1 16 . 1 1 2 2 ASP N N 2 120.442 120.442 118.854 1.588 18027 10292 1 16 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.698 -0.245 18027 10293 1 16 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.347 -2.418 18027 10294 1 16 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.502 -2.997 18027 10295 1 16 . 1 1 2 2 ASP H H 2 8.521 8.521 8.480 0.041 18027 10296 1 16 . 1 1 3 3 GLN N N 3 119.769 119.769 119.962 -0.193 18027 10297 1 16 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.486 -0.268 18027 10298 1 16 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.208 -2.522 18027 10299 1 16 . 1 1 3 3 GLN H H 3 8.199 8.199 7.929 0.270 18027 10300 1 16 . 1 1 4 4 LEU N N 4 120.939 120.939 124.587 -3.648 18027 10301 1 16 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.596 -0.113 18027 10302 1 16 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.586 -3.002 18027 10303 1 16 . 1 1 4 4 LEU CB C 4 40.561 40.561 42.852 -2.291 18027 10304 1 16 . 1 1 4 4 LEU H H 4 7.510 7.510 8.475 -0.965 18027 10305 1 16 . 1 1 5 5 THR N N 5 112.777 112.777 117.603 -4.826 18027 10306 1 16 . 1 1 5 5 THR HA H 5 4.253 4.253 4.452 -0.199 18027 10307 1 16 . 1 1 5 5 THR CA C 5 57.873 57.873 61.644 -3.771 18027 10308 1 16 . 1 1 5 5 THR CB C 5 68.203 68.203 69.547 -1.344 18027 10309 1 16 . 1 1 5 5 THR H H 5 8.576 8.576 8.339 0.237 18027 10310 1 16 . 1 1 6 6 GLU N N 6 120.254 120.254 119.704 0.550 18027 10311 1 16 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.118 -0.324 18027 10312 1 16 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.221 -1.576 18027 10313 1 16 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.393 -3.107 18027 10314 1 16 . 1 1 6 6 GLU H H 6 8.874 8.874 8.657 0.217 18027 10315 1 16 . 1 1 7 7 GLU N N 7 119.637 119.637 119.393 0.244 18027 10316 1 16 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.171 -0.275 18027 10317 1 16 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.021 -1.845 18027 10318 1 16 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.473 -3.418 18027 10319 1 16 . 1 1 7 7 GLU H H 7 8.536 8.536 8.455 0.081 18027 10320 1 16 . 1 1 8 8 GLN N N 8 120.086 120.086 119.267 0.819 18027 10321 1 16 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.258 -0.420 18027 10322 1 16 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.249 -1.839 18027 10323 1 16 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.215 -2.590 18027 10324 1 16 . 1 1 8 8 GLN H H 8 7.499 7.499 7.809 -0.310 18027 10325 1 16 . 1 1 9 9 ILE N N 9 120.295 120.295 119.609 0.686 18027 10326 1 16 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.814 -0.147 18027 10327 1 16 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.755 -0.709 18027 10328 1 16 . 1 1 9 9 ILE H H 9 8.405 8.405 8.806 -0.401 18027 10329 1 16 . 1 1 10 10 ALA N N 10 121.503 121.503 121.274 0.229 18027 10330 1 16 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.130 -0.219 18027 10331 1 16 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.049 -2.392 18027 10332 1 16 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.194 -3.219 18027 10333 1 16 . 1 1 10 10 ALA H H 10 7.949 7.949 7.580 0.369 18027 10334 1 16 . 1 1 11 11 GLU N N 11 118.352 118.352 118.624 -0.272 18027 10335 1 16 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.165 -0.327 18027 10336 1 16 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.506 -1.833 18027 10337 1 16 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.536 -2.568 18027 10338 1 16 . 1 1 11 11 GLU H H 11 7.700 7.700 8.031 -0.331 18027 10339 1 16 . 1 1 12 12 PHE N N 12 117.277 117.277 121.217 -3.940 18027 10340 1 16 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.292 0.185 18027 10341 1 16 . 1 1 12 12 PHE CA C 12 59.655 59.655 62.619 -2.964 18027 10342 1 16 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.433 -3.898 18027 10343 1 16 . 1 1 12 12 PHE H H 12 8.211 8.211 7.774 0.437 18027 10344 1 16 . 1 1 13 13 LYS N N 13 122.928 122.928 119.103 3.825 18027 10345 1 16 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.989 -0.064 18027 10346 1 16 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.577 -2.423 18027 10347 1 16 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.244 -6.075 18027 10348 1 16 . 1 1 13 13 LYS H H 13 8.925 8.925 7.776 1.149 18027 10349 1 16 . 1 1 14 14 GLU N N 14 119.706 119.706 117.656 2.050 18027 10350 1 16 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.197 -0.339 18027 10351 1 16 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.856 -2.520 18027 10352 1 16 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.884 -3.601 18027 10353 1 16 . 1 1 14 14 GLU H H 14 7.824 7.824 7.771 0.053 18027 10354 1 16 . 1 1 15 15 ALA N N 15 123.880 123.880 122.443 1.437 18027 10355 1 16 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.284 -0.417 18027 10356 1 16 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.370 -1.535 18027 10357 1 16 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.527 -3.324 18027 10358 1 16 . 1 1 15 15 ALA H H 15 8.124 8.124 8.008 0.116 18027 10359 1 16 . 1 1 16 16 PHE N N 16 118.972 118.972 118.792 0.180 18027 10360 1 16 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.154 -1.022 18027 10361 1 16 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.524 -0.541 18027 10362 1 16 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.486 -3.038 18027 10363 1 16 . 1 1 16 16 PHE H H 16 8.446 8.446 8.291 0.155 18027 10364 1 16 . 1 1 17 17 SER N N 17 114.737 114.737 114.305 0.432 18027 10365 1 16 . 1 1 17 17 SER HA H 17 3.902 3.902 4.303 -0.401 18027 10366 1 16 . 1 1 17 17 SER CA C 17 58.999 58.999 60.955 -1.956 18027 10367 1 16 . 1 1 17 17 SER CB C 17 60.436 60.436 63.323 -2.887 18027 10368 1 16 . 1 1 17 17 SER H H 17 7.874 7.874 7.730 0.144 18027 10369 1 16 . 1 1 18 18 LEU N N 18 120.225 120.225 121.166 -0.941 18027 10370 1 16 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.067 -0.282 18027 10371 1 16 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.485 -2.756 18027 10372 1 16 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.225 -4.063 18027 10373 1 16 . 1 1 18 18 LEU H H 18 7.183 7.183 7.311 -0.128 18027 10374 1 16 . 1 1 19 19 PHE N N 19 112.357 112.357 113.226 -0.869 18027 10375 1 16 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.594 -2.171 18027 10376 1 16 . 1 1 19 19 PHE H H 19 6.977 6.977 7.463 -0.486 18027 10377 1 16 . 1 1 20 20 ASP N N 20 117.274 117.274 120.102 -2.828 18027 10378 1 16 . 1 1 20 20 ASP HA H 20 4.432 4.432 5.005 -0.573 18027 10379 1 16 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.814 -3.302 18027 10380 1 16 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.435 -3.758 18027 10381 1 16 . 1 1 20 20 ASP H H 20 7.446 7.446 7.519 -0.073 18027 10382 1 16 . 1 1 21 21 LYS N N 21 124.296 124.296 121.446 2.850 18027 10383 1 16 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.194 -0.356 18027 10384 1 16 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.612 -1.933 18027 10385 1 16 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.295 -2.700 18027 10386 1 16 . 1 1 21 21 LYS H H 21 7.520 7.520 8.034 -0.514 18027 10387 1 16 . 1 1 22 22 ASP N N 22 113.761 113.761 118.724 -4.963 18027 10388 1 16 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.698 -0.264 18027 10389 1 16 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.851 -4.790 18027 10390 1 16 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.363 -4.800 18027 10391 1 16 . 1 1 22 22 ASP H H 22 7.819 7.819 8.180 -0.361 18027 10392 1 16 . 1 1 23 23 GLY N N 23 108.838 108.838 107.092 1.746 18027 10393 1 16 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.698 -1.393 18027 10394 1 16 . 1 1 23 23 GLY H H 23 7.497 7.497 8.298 -0.801 18027 10395 1 16 . 1 1 24 24 ASP N N 24 120.790 120.790 120.458 0.332 18027 10396 1 16 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.710 -0.360 18027 10397 1 16 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.417 -3.564 18027 10398 1 16 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.953 -4.590 18027 10399 1 16 . 1 1 24 24 ASP H H 24 8.312 8.312 8.293 0.019 18027 10400 1 16 . 1 1 25 25 GLY N N 25 112.499 112.499 110.969 1.530 18027 10401 1 16 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.114 -2.694 18027 10402 1 16 . 1 1 25 25 GLY H H 25 10.352 10.352 8.332 2.020 18027 10403 1 16 . 1 1 26 26 THR N N 26 111.781 111.781 112.393 -0.612 18027 10404 1 16 . 1 1 26 26 THR HA H 26 5.316 5.316 5.724 -0.408 18027 10405 1 16 . 1 1 26 26 THR CA C 26 56.878 56.878 60.719 -3.841 18027 10406 1 16 . 1 1 26 26 THR CB C 26 70.031 70.031 72.245 -2.214 18027 10407 1 16 . 1 1 26 26 THR H H 26 8.018 8.018 8.959 -0.941 18027 10408 1 16 . 1 1 27 27 ILE N N 27 126.162 126.162 124.791 1.371 18027 10409 1 16 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.467 0.191 18027 10410 1 16 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.168 -1.691 18027 10411 1 16 . 1 1 27 27 ILE CB C 27 37.572 37.572 38.872 -1.300 18027 10412 1 16 . 1 1 27 27 ILE H H 27 9.769 9.769 8.617 1.152 18027 10413 1 16 . 1 1 28 28 THR N N 28 116.311 116.311 122.130 -5.819 18027 10414 1 16 . 1 1 28 28 THR HA H 28 4.669 4.669 5.092 -0.423 18027 10415 1 16 . 1 1 28 28 THR CA C 28 56.878 56.878 62.035 -5.157 18027 10416 1 16 . 1 1 28 28 THR CB C 28 69.688 69.688 69.715 -0.027 18027 10417 1 16 . 1 1 28 28 THR H H 28 8.302 8.302 8.161 0.141 18027 10418 1 16 . 1 1 29 29 THR N N 29 112.465 112.465 115.882 -3.417 18027 10419 1 16 . 1 1 29 29 THR HA H 29 3.633 3.633 3.980 -0.347 18027 10420 1 16 . 1 1 29 29 THR CA C 29 63.820 63.820 66.341 -2.522 18027 10421 1 16 . 1 1 29 29 THR CB C 29 65.160 65.160 68.520 -3.360 18027 10422 1 16 . 1 1 29 29 THR H H 29 9.078 9.078 8.696 0.382 18027 10423 1 16 . 1 1 30 30 LYS N N 30 120.792 120.792 120.107 0.685 18027 10424 1 16 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.153 -0.198 18027 10425 1 16 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.925 -2.356 18027 10426 1 16 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.616 -2.021 18027 10427 1 16 . 1 1 30 30 LYS H H 30 7.467 7.467 8.541 -1.074 18027 10428 1 16 . 1 1 31 31 GLU N N 31 121.359 121.359 120.223 1.136 18027 10429 1 16 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.157 -0.251 18027 10430 1 16 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.692 -2.015 18027 10431 1 16 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.555 -2.473 18027 10432 1 16 . 1 1 31 31 GLU H H 31 7.574 7.574 7.523 0.051 18027 10433 1 16 . 1 1 32 32 LEU N N 32 120.087 120.087 121.000 -0.913 18027 10434 1 16 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.367 -0.310 18027 10435 1 16 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.657 -2.085 18027 10436 1 16 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.207 -2.355 18027 10437 1 16 . 1 1 32 32 LEU H H 32 8.712 8.712 7.956 0.756 18027 10438 1 16 . 1 1 33 33 GLY N N 33 105.634 105.634 104.614 1.020 18027 10439 1 16 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.275 -1.638 18027 10440 1 16 . 1 1 33 33 GLY H H 33 8.696 8.696 7.839 0.857 18027 10441 1 16 . 1 1 34 34 THR N N 34 117.265 117.265 118.583 -1.318 18027 10442 1 16 . 1 1 34 34 THR HA H 34 3.810 3.810 3.977 -0.167 18027 10443 1 16 . 1 1 34 34 THR CA C 34 64.259 64.259 67.172 -2.913 18027 10444 1 16 . 1 1 34 34 THR CB C 34 66.033 66.033 68.571 -2.538 18027 10445 1 16 . 1 1 34 34 THR H H 34 7.785 7.785 7.576 0.209 18027 10446 1 16 . 1 1 35 35 VAL N N 35 121.498 121.498 120.557 0.941 18027 10447 1 16 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.654 -0.253 18027 10448 1 16 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.490 -1.182 18027 10449 1 16 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.544 -2.748 18027 10450 1 16 . 1 1 35 35 VAL H H 35 7.268 7.268 7.258 0.010 18027 10451 1 16 . 1 1 36 36 MET N N 36 117.302 117.302 118.184 -0.882 18027 10452 1 16 . 1 1 36 36 MET HA H 36 3.842 3.842 4.273 -0.431 18027 10453 1 16 . 1 1 36 36 MET CA C 36 56.606 56.606 57.464 -0.858 18027 10454 1 16 . 1 1 36 36 MET CB C 36 28.453 28.453 31.673 -3.220 18027 10455 1 16 . 1 1 36 36 MET H H 36 8.487 8.487 7.523 0.964 18027 10456 1 16 . 1 1 37 37 ARG N N 37 118.262 118.262 118.279 -0.017 18027 10457 1 16 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.396 0.261 18027 10458 1 16 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.734 -2.254 18027 10459 1 16 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.125 -3.385 18027 10460 1 16 . 1 1 37 37 ARG H H 37 8.330 8.330 8.338 -0.008 18027 10461 1 16 . 1 1 38 38 SER N N 38 117.873 117.873 113.445 4.428 18027 10462 1 16 . 1 1 38 38 SER H H 38 7.815 7.815 7.501 0.314 18027 10463 1 16 . 1 1 39 39 LEU N N 39 117.970 117.970 119.184 -1.214 18027 10464 1 16 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.407 -0.335 18027 10465 1 16 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.037 -3.599 18027 10466 1 16 . 1 1 39 39 LEU CB C 39 38.162 38.162 43.047 -4.885 18027 10467 1 16 . 1 1 39 39 LEU H H 39 7.326 7.326 7.246 0.080 18027 10468 1 16 . 1 1 40 40 GLY N N 40 106.755 106.755 106.089 0.666 18027 10469 1 16 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.865 -2.201 18027 10470 1 16 . 1 1 40 40 GLY H H 40 7.636 7.636 7.642 -0.006 18027 10471 1 16 . 1 1 41 41 GLN N N 41 118.316 118.316 119.792 -1.476 18027 10472 1 16 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.557 -0.272 18027 10473 1 16 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.641 -3.788 18027 10474 1 16 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.812 -4.501 18027 10475 1 16 . 1 1 41 41 GLN H H 41 7.827 7.827 8.328 -0.501 18027 10476 1 16 . 1 1 42 42 ASN N N 42 115.866 115.866 121.076 -5.210 18027 10477 1 16 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.031 -0.018 18027 10478 1 16 . 1 1 42 42 ASN CA C 42 48.562 48.562 50.508 -1.946 18027 10479 1 16 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.259 -2.941 18027 10480 1 16 . 1 1 42 42 ASN H H 42 8.557 8.557 8.618 -0.061 18027 10481 1 16 . 1 1 44 44 THR N N 44 113.035 113.035 110.234 2.801 18027 10482 1 16 . 1 1 44 44 THR HA H 44 4.296 4.296 4.543 -0.247 18027 10483 1 16 . 1 1 44 44 THR CA C 44 57.922 57.922 59.519 -1.597 18027 10484 1 16 . 1 1 44 44 THR CB C 44 68.317 68.317 71.351 -3.034 18027 10485 1 16 . 1 1 44 44 THR H H 44 8.694 8.694 7.918 0.776 18027 10486 1 16 . 1 1 45 45 GLU N N 45 120.283 120.283 120.447 -0.164 18027 10487 1 16 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.009 -0.113 18027 10488 1 16 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.613 -2.257 18027 10489 1 16 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.179 -3.463 18027 10490 1 16 . 1 1 45 45 GLU H H 45 8.687 8.687 8.920 -0.233 18027 10491 1 16 . 1 1 46 46 ALA N N 46 120.685 120.685 120.801 -0.116 18027 10492 1 16 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.229 -0.359 18027 10493 1 16 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.572 -2.256 18027 10494 1 16 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.061 -2.972 18027 10495 1 16 . 1 1 46 46 ALA H H 46 8.153 8.153 8.295 -0.142 18027 10496 1 16 . 1 1 47 47 GLU N N 47 118.546 118.546 118.503 0.043 18027 10497 1 16 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.155 -0.296 18027 10498 1 16 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.627 -2.119 18027 10499 1 16 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.403 -2.663 18027 10500 1 16 . 1 1 47 47 GLU H H 47 7.554 7.554 7.603 -0.049 18027 10501 1 16 . 1 1 48 48 LEU N N 48 120.085 120.085 120.924 -0.839 18027 10502 1 16 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.131 -0.191 18027 10503 1 16 . 1 1 48 48 LEU CA C 48 55.368 55.368 58.339 -2.971 18027 10504 1 16 . 1 1 48 48 LEU CB C 48 39.419 39.419 42.141 -2.722 18027 10505 1 16 . 1 1 48 48 LEU H H 48 8.247 8.247 7.657 0.590 18027 10506 1 16 . 1 1 49 49 GLN N N 49 118.119 118.119 116.908 1.211 18027 10507 1 16 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.011 -0.098 18027 10508 1 16 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.753 -2.050 18027 10509 1 16 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.423 -2.026 18027 10510 1 16 . 1 1 49 49 GLN H H 49 7.891 7.891 7.703 0.188 18027 10511 1 16 . 1 1 50 50 ASP N N 50 119.263 119.263 120.852 -1.589 18027 10512 1 16 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.461 -0.282 18027 10513 1 16 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.905 -2.029 18027 10514 1 16 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.990 -3.742 18027 10515 1 16 . 1 1 50 50 ASP H H 50 7.803 7.803 7.649 0.154 18027 10516 1 16 . 1 1 51 51 MET N N 51 120.178 120.178 117.241 2.937 18027 10517 1 16 . 1 1 51 51 MET HA H 51 3.966 3.966 4.223 -0.257 18027 10518 1 16 . 1 1 51 51 MET CA C 51 57.074 57.074 58.562 -1.488 18027 10519 1 16 . 1 1 51 51 MET CB C 51 29.975 29.975 33.276 -3.301 18027 10520 1 16 . 1 1 51 51 MET H H 51 7.831 7.831 7.428 0.403 18027 10521 1 16 . 1 1 52 52 ILE N N 52 116.856 116.856 120.469 -3.613 18027 10522 1 16 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.783 -0.435 18027 10523 1 16 . 1 1 52 52 ILE CA C 52 61.675 61.675 63.790 -2.115 18027 10524 1 16 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.674 -3.852 18027 10525 1 16 . 1 1 52 52 ILE H H 52 7.703 7.703 7.576 0.127 18027 10526 1 16 . 1 1 53 53 ASN N N 53 117.417 117.417 115.368 2.049 18027 10527 1 16 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.503 -0.250 18027 10528 1 16 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.691 -2.651 18027 10529 1 16 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.374 -3.296 18027 10530 1 16 . 1 1 53 53 ASN H H 53 8.187 8.187 7.978 0.209 18027 10531 1 16 . 1 1 54 54 GLU N N 54 116.996 116.996 118.506 -1.510 18027 10532 1 16 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.197 -0.338 18027 10533 1 16 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.169 -2.295 18027 10534 1 16 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.169 -3.772 18027 10535 1 16 . 1 1 54 54 GLU H H 54 7.391 7.391 7.742 -0.351 18027 10536 1 16 . 1 1 55 55 VAL N N 55 114.596 114.596 116.690 -2.094 18027 10537 1 16 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.141 -0.154 18027 10538 1 16 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.880 -3.935 18027 10539 1 16 . 1 1 55 55 VAL CB C 55 30.738 30.738 33.228 -2.490 18027 10540 1 16 . 1 1 55 55 VAL H H 55 7.151 7.151 7.560 -0.409 18027 10541 1 16 . 1 1 56 56 ASP N N 56 119.670 119.670 122.402 -2.732 18027 10542 1 16 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.405 -0.088 18027 10543 1 16 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.510 -4.154 18027 10544 1 16 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.215 -3.624 18027 10545 1 16 . 1 1 56 56 ASP H H 56 7.913 7.913 8.263 -0.350 18027 10546 1 16 . 1 1 57 57 ALA N N 57 131.491 131.491 128.954 2.537 18027 10547 1 16 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.152 -0.051 18027 10548 1 16 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.689 -2.506 18027 10549 1 16 . 1 1 57 57 ALA H H 57 8.126 8.126 8.722 -0.596 18027 10550 1 16 . 1 1 58 58 ASP N N 58 114.255 114.255 117.889 -3.634 18027 10551 1 16 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.644 -0.210 18027 10552 1 16 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.687 -4.726 18027 10553 1 16 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.421 -4.858 18027 10554 1 16 . 1 1 58 58 ASP H H 58 8.130 8.130 8.270 -0.140 18027 10555 1 16 . 1 1 59 59 GLY N N 59 108.987 108.987 107.225 1.762 18027 10556 1 16 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.342 -1.046 18027 10557 1 16 . 1 1 59 59 GLY H H 59 7.504 7.504 8.552 -1.048 18027 10558 1 16 . 1 1 60 60 ASN N N 60 118.770 118.770 119.087 -0.317 18027 10559 1 16 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.752 -0.323 18027 10560 1 16 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.140 -2.281 18027 10561 1 16 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.412 -5.905 18027 10562 1 16 . 1 1 60 60 ASN H H 60 8.095 8.095 8.566 -0.471 18027 10563 1 16 . 1 1 61 61 GLY N N 61 112.773 112.773 108.886 3.887 18027 10564 1 16 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.341 -2.629 18027 10565 1 16 . 1 1 61 61 GLY H H 61 10.280 10.280 8.967 1.313 18027 10566 1 16 . 1 1 62 62 THR N N 62 108.117 108.117 111.088 -2.971 18027 10567 1 16 . 1 1 62 62 THR HA H 62 4.672 4.672 4.999 -0.327 18027 10568 1 16 . 1 1 62 62 THR CA C 62 56.878 56.878 60.160 -3.282 18027 10569 1 16 . 1 1 62 62 THR CB C 62 69.688 69.688 71.609 -1.921 18027 10570 1 16 . 1 1 62 62 THR H H 62 7.475 7.475 7.711 -0.236 18027 10571 1 16 . 1 1 63 63 ILE N N 63 122.642 122.642 122.649 -0.007 18027 10572 1 16 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.401 0.395 18027 10573 1 16 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.007 -2.195 18027 10574 1 16 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.190 -3.827 18027 10575 1 16 . 1 1 63 63 ILE H H 63 8.449 8.449 8.214 0.235 18027 10576 1 16 . 1 1 64 64 ASP N N 64 128.633 128.633 126.044 2.589 18027 10577 1 16 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.306 0.010 18027 10578 1 16 . 1 1 64 64 ASP CA C 64 49.280 49.280 52.996 -3.716 18027 10579 1 16 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.758 -3.997 18027 10580 1 16 . 1 1 64 64 ASP H H 64 9.011 9.011 8.475 0.536 18027 10581 1 16 . 1 1 65 65 PHE N N 65 118.892 118.892 116.712 2.180 18027 10582 1 16 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.303 -0.536 18027 10583 1 16 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.672 -0.459 18027 10584 1 16 . 1 1 65 65 PHE H H 65 8.766 8.766 8.187 0.579 18027 10585 1 16 . 1 1 67 67 GLU N N 67 118.675 118.675 115.975 2.700 18027 10586 1 16 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.297 -0.460 18027 10587 1 16 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.293 -0.688 18027 10588 1 16 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.485 -2.088 18027 10589 1 16 . 1 1 67 67 GLU H H 67 7.487 7.487 8.770 -1.283 18027 10590 1 16 . 1 1 68 68 PHE N N 68 123.182 123.182 121.178 2.004 18027 10591 1 16 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.398 -0.730 18027 10592 1 16 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.378 -2.949 18027 10593 1 16 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.680 -2.089 18027 10594 1 16 . 1 1 68 68 PHE H H 68 8.066 8.066 7.485 0.581 18027 10595 1 16 . 1 1 69 69 LEU N N 69 119.530 119.530 118.018 1.512 18027 10596 1 16 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.103 -0.148 18027 10597 1 16 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.009 -2.235 18027 10598 1 16 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.239 -1.820 18027 10599 1 16 . 1 1 69 69 LEU H H 69 8.672 8.672 7.867 0.805 18027 10600 1 16 . 1 1 70 70 THR N N 70 113.765 113.765 115.044 -1.279 18027 10601 1 16 . 1 1 70 70 THR HA H 70 3.806 3.806 3.989 -0.183 18027 10602 1 16 . 1 1 70 70 THR CA C 70 63.861 63.861 66.813 -2.952 18027 10603 1 16 . 1 1 70 70 THR CB C 70 66.147 66.147 68.520 -2.373 18027 10604 1 16 . 1 1 70 70 THR H H 70 7.909 7.909 7.784 0.125 18027 10605 1 16 . 1 1 71 71 MET N N 71 119.518 119.518 120.871 -1.353 18027 10606 1 16 . 1 1 71 71 MET HA H 71 3.881 3.881 4.181 -0.300 18027 10607 1 16 . 1 1 71 71 MET CA C 71 56.106 56.106 58.672 -2.566 18027 10608 1 16 . 1 1 71 71 MET CB C 71 29.595 29.595 32.448 -2.853 18027 10609 1 16 . 1 1 71 71 MET H H 71 7.120 7.120 7.453 -0.333 18027 10610 1 16 . 1 1 72 72 MET N N 72 116.280 116.280 118.834 -2.554 18027 10611 1 16 . 1 1 72 72 MET HA H 72 3.817 3.817 4.119 -0.302 18027 10612 1 16 . 1 1 72 72 MET CA C 72 55.111 55.111 58.834 -3.723 18027 10613 1 16 . 1 1 72 72 MET CB C 72 27.892 27.892 33.045 -5.153 18027 10614 1 16 . 1 1 72 72 MET H H 72 7.737 7.737 7.607 0.130 18027 10615 1 16 . 1 1 73 73 ALA N N 73 119.984 119.984 119.187 0.797 18027 10616 1 16 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.163 -0.325 18027 10617 1 16 . 1 1 73 73 ALA CA C 73 51.812 51.812 54.044 -2.232 18027 10618 1 16 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.390 -3.187 18027 10619 1 16 . 1 1 73 73 ALA H H 73 8.322 8.322 7.666 0.656 18027 10620 1 16 . 1 1 74 74 ARG N N 74 116.354 116.354 119.363 -3.009 18027 10621 1 16 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.174 -0.336 18027 10622 1 16 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.575 -2.619 18027 10623 1 16 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.520 -5.265 18027 10624 1 16 . 1 1 74 74 ARG H H 74 7.264 7.264 7.634 -0.370 18027 10625 1 16 . 1 1 75 75 LYS N N 75 120.084 120.084 119.085 0.999 18027 10626 1 16 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.455 -0.507 18027 10627 1 16 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.143 -2.284 18027 10628 1 16 . 1 1 75 75 LYS CB C 75 28.681 28.681 31.992 -3.311 18027 10629 1 16 . 1 1 75 75 LYS H H 75 7.756 7.756 7.513 0.243 18027 10630 1 16 . 1 1 76 76 MET N N 76 117.139 117.139 118.025 -0.886 18027 10631 1 16 . 1 1 76 76 MET HA H 76 4.168 4.168 4.403 -0.235 18027 10632 1 16 . 1 1 76 76 MET CA C 76 54.704 54.704 55.831 -1.127 18027 10633 1 16 . 1 1 76 76 MET CB C 76 30.052 30.052 32.273 -2.220 18027 10634 1 16 . 1 1 76 76 MET H H 76 7.985 7.985 7.672 0.313 18027 10635 1 16 . 1 1 77 77 LYS N N 77 116.614 116.614 117.378 -0.764 18027 10636 1 16 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.403 -0.182 18027 10637 1 16 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.417 -3.233 18027 10638 1 16 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.753 -6.470 18027 10639 1 16 . 1 1 77 77 LYS H H 77 7.275 7.275 7.506 -0.231 18027 10640 1 16 . 1 1 78 78 ASP N N 78 123.187 123.187 119.962 3.225 18027 10641 1 16 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.701 -0.250 18027 10642 1 16 . 1 1 78 78 ASP CA C 78 51.732 51.732 55.412 -3.680 18027 10643 1 16 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.644 -3.253 18027 10644 1 16 . 1 1 78 78 ASP H H 78 8.181 8.181 7.781 0.400 18027 10645 1 16 . 1 1 79 79 THR N N 79 114.325 114.325 110.373 3.952 18027 10646 1 16 . 1 1 79 79 THR HA H 79 4.034 4.034 3.931 0.103 18027 10647 1 16 . 1 1 79 79 THR CA C 79 61.322 61.322 64.511 -3.189 18027 10648 1 16 . 1 1 79 79 THR CB C 79 66.147 66.147 66.634 -0.487 18027 10649 1 16 . 1 1 79 79 THR H H 79 8.377 8.377 8.448 -0.071 18027 10650 1 16 . 1 1 80 80 ASP N N 80 120.844 120.844 119.850 0.994 18027 10651 1 16 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.861 -0.556 18027 10652 1 16 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.709 -3.037 18027 10653 1 16 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.809 -3.218 18027 10654 1 16 . 1 1 80 80 ASP H H 80 8.223 8.223 8.486 -0.263 18027 10655 1 16 . 1 1 81 81 SER N N 81 115.729 115.729 114.432 1.297 18027 10656 1 16 . 1 1 81 81 SER HA H 81 3.911 3.911 4.759 -0.848 18027 10657 1 16 . 1 1 81 81 SER CA C 81 57.939 57.939 60.032 -2.093 18027 10658 1 16 . 1 1 81 81 SER CB C 81 60.664 60.664 62.851 -2.187 18027 10659 1 16 . 1 1 81 81 SER H H 81 7.785 7.785 8.224 -0.439 18027 10660 1 16 . 1 1 82 82 GLU N N 82 121.960 121.960 122.533 -0.573 18027 10661 1 16 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.193 -0.297 18027 10662 1 16 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.668 -1.839 18027 10663 1 16 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.584 -2.959 18027 10664 1 16 . 1 1 82 82 GLU H H 82 8.208 8.208 8.381 -0.173 18027 10665 1 16 . 1 1 83 83 GLU N N 83 118.040 118.040 116.680 1.360 18027 10666 1 16 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.205 -0.367 18027 10667 1 16 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.315 -2.370 18027 10668 1 16 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.277 -2.445 18027 10669 1 16 . 1 1 83 83 GLU H H 83 7.898 7.898 7.697 0.201 18027 10670 1 16 . 1 1 84 84 GLU N N 84 118.825 118.825 118.547 0.278 18027 10671 1 16 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.433 -3.675 18027 10672 1 16 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.988 0.864 18027 10673 1 16 . 1 1 84 84 GLU H H 84 8.154 8.154 7.561 0.593 18027 10674 1 16 . 1 1 85 85 ILE N N 85 119.310 119.310 120.067 -0.757 18027 10675 1 16 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.812 -0.045 18027 10676 1 16 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.457 -4.599 18027 10677 1 16 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.656 -2.007 18027 10678 1 16 . 1 1 85 85 ILE H H 85 7.793 7.793 7.558 0.235 18027 10679 1 16 . 1 1 86 86 ARG N N 86 120.640 120.640 119.888 0.752 18027 10680 1 16 . 1 1 86 86 ARG HA H 86 3.925 3.925 4.141 -0.216 18027 10681 1 16 . 1 1 86 86 ARG CA C 86 57.265 57.265 60.098 -2.833 18027 10682 1 16 . 1 1 86 86 ARG CB C 86 26.854 26.854 30.086 -3.232 18027 10683 1 16 . 1 1 86 86 ARG H H 86 8.177 8.177 7.821 0.356 18027 10684 1 16 . 1 1 87 87 GLU N N 87 119.448 119.448 118.527 0.921 18027 10685 1 16 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.188 -0.336 18027 10686 1 16 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.992 -2.349 18027 10687 1 16 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.422 -3.368 18027 10688 1 16 . 1 1 87 87 GLU H H 87 7.828 7.828 7.536 0.292 18027 10689 1 16 . 1 1 88 88 ALA N N 88 122.592 122.592 122.371 0.221 18027 10690 1 16 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.338 -0.310 18027 10691 1 16 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.770 -2.174 18027 10692 1 16 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.687 -4.055 18027 10693 1 16 . 1 1 88 88 ALA H H 88 8.283 8.283 7.468 0.815 18027 10694 1 16 . 1 1 89 89 PHE N N 89 119.245 119.245 119.091 0.154 18027 10695 1 16 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.015 -0.901 18027 10696 1 16 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.473 -1.928 18027 10697 1 16 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.539 -3.204 18027 10698 1 16 . 1 1 89 89 PHE H H 89 8.423 8.423 8.135 0.288 18027 10699 1 16 . 1 1 90 90 ARG N N 90 117.455 117.455 118.597 -1.142 18027 10700 1 16 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.383 -0.534 18027 10701 1 16 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.422 -2.109 18027 10702 1 16 . 1 1 90 90 ARG CB C 90 27.197 27.197 28.885 -1.688 18027 10703 1 16 . 1 1 90 90 ARG H H 90 7.840 7.840 7.781 0.059 18027 10704 1 16 . 1 1 91 91 VAL N N 91 118.698 118.698 118.750 -0.052 18027 10705 1 16 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.819 -0.567 18027 10706 1 16 . 1 1 91 91 VAL CA C 91 63.333 63.333 65.409 -2.076 18027 10707 1 16 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.605 -3.495 18027 10708 1 16 . 1 1 91 91 VAL H H 91 7.262 7.262 7.375 -0.113 18027 10709 1 16 . 1 1 92 92 PHE N N 92 112.495 112.495 117.346 -4.851 18027 10710 1 16 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.293 -0.359 18027 10711 1 16 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.561 -3.380 18027 10712 1 16 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.835 -0.416 18027 10713 1 16 . 1 1 92 92 PHE H H 92 6.693 6.693 7.452 -0.759 18027 10714 1 16 . 1 1 93 93 ASP N N 93 117.214 117.214 118.454 -1.240 18027 10715 1 16 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.703 -0.269 18027 10716 1 16 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.356 -2.575 18027 10717 1 16 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.315 -2.866 18027 10718 1 16 . 1 1 93 93 ASP H H 93 7.954 7.954 8.130 -0.176 18027 10719 1 16 . 1 1 94 94 LYS N N 94 125.565 125.565 124.112 1.453 18027 10720 1 16 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.290 -0.511 18027 10721 1 16 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.422 -2.743 18027 10722 1 16 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.473 -2.878 18027 10723 1 16 . 1 1 94 94 LYS H H 94 7.671 7.671 8.054 -0.383 18027 10724 1 16 . 1 1 95 95 ASP N N 95 114.041 114.041 116.592 -2.551 18027 10725 1 16 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.760 -0.352 18027 10726 1 16 . 1 1 95 95 ASP CA C 95 50.213 50.213 54.064 -3.851 18027 10727 1 16 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.266 -4.703 18027 10728 1 16 . 1 1 95 95 ASP H H 95 7.944 7.944 7.952 -0.008 18027 10729 1 16 . 1 1 96 96 GLY N N 96 108.849 108.849 108.292 0.557 18027 10730 1 16 . 1 1 96 96 GLY CA C 96 44.199 44.199 46.054 -1.855 18027 10731 1 16 . 1 1 96 96 GLY H H 96 7.529 7.529 7.466 0.063 18027 10732 1 16 . 1 1 97 97 ASN N N 97 119.410 119.410 118.340 1.070 18027 10733 1 16 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.587 -0.163 18027 10734 1 16 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.592 -3.909 18027 10735 1 16 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.635 -2.072 18027 10736 1 16 . 1 1 97 97 ASN H H 97 8.234 8.234 8.363 -0.129 18027 10737 1 16 . 1 1 98 98 GLY N N 98 112.073 112.073 107.132 4.941 18027 10738 1 16 . 1 1 98 98 GLY CA C 98 42.176 42.176 46.070 -3.894 18027 10739 1 16 . 1 1 98 98 GLY H H 98 10.298 10.298 8.272 2.026 18027 10740 1 16 . 1 1 99 99 TYR N N 99 116.011 116.011 117.560 -1.549 18027 10741 1 16 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.021 -0.203 18027 10742 1 16 . 1 1 99 99 TYR CA C 99 53.681 53.681 56.895 -3.214 18027 10743 1 16 . 1 1 99 99 TYR CB C 99 39.875 39.875 42.583 -2.708 18027 10744 1 16 . 1 1 99 99 TYR H H 99 7.497 7.497 7.574 -0.077 18027 10745 1 16 . 1 1 100 100 ILE N N 100 126.793 126.793 122.319 4.474 18027 10746 1 16 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.215 0.208 18027 10747 1 16 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.678 -2.049 18027 10748 1 16 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.343 -2.595 18027 10749 1 16 . 1 1 100 100 ILE H H 100 9.833 9.833 8.320 1.513 18027 10750 1 16 . 1 1 101 101 SER N N 101 123.825 123.825 122.942 0.883 18027 10751 1 16 . 1 1 101 101 SER HA H 101 4.657 4.657 4.894 -0.237 18027 10752 1 16 . 1 1 101 101 SER CA C 101 53.060 53.060 56.758 -3.698 18027 10753 1 16 . 1 1 101 101 SER CB C 101 64.091 64.091 64.970 -0.879 18027 10754 1 16 . 1 1 101 101 SER H H 101 8.870 8.870 8.367 0.503 18027 10755 1 16 . 1 1 102 102 ALA N N 102 122.909 122.909 127.621 -4.712 18027 10756 1 16 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.096 -0.332 18027 10757 1 16 . 1 1 102 102 ALA CA C 102 53.050 53.050 54.890 -1.840 18027 10758 1 16 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.651 -3.676 18027 10759 1 16 . 1 1 102 102 ALA H H 102 9.209 9.209 8.878 0.331 18027 10760 1 16 . 1 1 103 103 ALA N N 103 118.692 118.692 120.435 -1.743 18027 10761 1 16 . 1 1 103 103 ALA HA H 103 3.874 3.874 3.991 -0.117 18027 10762 1 16 . 1 1 103 103 ALA CA C 103 52.485 52.485 55.021 -2.536 18027 10763 1 16 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.326 -3.123 18027 10764 1 16 . 1 1 103 103 ALA H H 103 8.146 8.146 7.799 0.347 18027 10765 1 16 . 1 1 104 104 GLU N N 104 120.098 120.098 118.509 1.589 18027 10766 1 16 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.185 -0.322 18027 10767 1 16 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.621 -2.046 18027 10768 1 16 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.463 -4.094 18027 10769 1 16 . 1 1 104 104 GLU H H 104 7.832 7.832 8.141 -0.309 18027 10770 1 16 . 1 1 105 105 LEU N N 105 121.466 121.466 120.801 0.665 18027 10771 1 16 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.033 0.083 18027 10772 1 16 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.894 -2.198 18027 10773 1 16 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.966 -3.004 18027 10774 1 16 . 1 1 105 105 LEU H H 105 8.300 8.300 7.490 0.810 18027 10775 1 16 . 1 1 106 106 ARG N N 106 118.978 118.978 118.367 0.611 18027 10776 1 16 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.918 -0.066 18027 10777 1 16 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.842 -2.408 18027 10778 1 16 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.920 -2.836 18027 10779 1 16 . 1 1 106 106 ARG H H 106 8.882 8.882 7.755 1.127 18027 10780 1 16 . 1 1 107 107 HIS N N 107 118.543 118.543 118.782 -0.239 18027 10781 1 16 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.291 -0.091 18027 10782 1 16 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.975 -3.150 18027 10783 1 16 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.689 -2.949 18027 10784 1 16 . 1 1 107 107 HIS H H 107 7.991 7.991 7.827 0.164 18027 10785 1 16 . 1 1 108 108 VAL N N 108 118.687 118.687 117.529 1.158 18027 10786 1 16 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.726 -0.634 18027 10787 1 16 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.507 -2.297 18027 10788 1 16 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.676 -2.766 18027 10789 1 16 . 1 1 108 108 VAL H H 108 7.425 7.425 7.472 -0.047 18027 10790 1 16 . 1 1 109 109 MET N N 109 115.725 115.725 118.075 -2.350 18027 10791 1 16 . 1 1 109 109 MET HA H 109 3.944 3.944 4.309 -0.365 18027 10792 1 16 . 1 1 109 109 MET CA C 109 55.212 55.212 57.555 -2.343 18027 10793 1 16 . 1 1 109 109 MET CB C 109 27.425 27.425 31.820 -4.394 18027 10794 1 16 . 1 1 109 109 MET H H 109 7.972 7.972 7.753 0.219 18027 10795 1 16 . 1 1 110 110 THR N N 110 116.999 116.999 115.075 1.924 18027 10796 1 16 . 1 1 110 110 THR HA H 110 3.852 3.852 4.450 -0.598 18027 10797 1 16 . 1 1 110 110 THR CA C 110 63.918 63.918 65.292 -1.374 18027 10798 1 16 . 1 1 110 110 THR CB C 110 65.844 65.844 68.418 -2.574 18027 10799 1 16 . 1 1 110 110 THR H H 110 8.691 8.691 8.620 0.071 18027 10800 1 16 . 1 1 111 111 ASN N N 111 123.893 123.893 120.271 3.622 18027 10801 1 16 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.535 -0.294 18027 10802 1 16 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.334 -2.385 18027 10803 1 16 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.556 -3.592 18027 10804 1 16 . 1 1 111 111 ASN H H 111 7.911 7.911 7.999 -0.088 18027 10805 1 16 . 1 1 112 112 LEU N N 112 119.244 119.244 117.802 1.442 18027 10806 1 16 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.230 -0.158 18027 10807 1 16 . 1 1 112 112 LEU CA C 112 52.901 52.901 54.664 -1.763 18027 10808 1 16 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.572 -3.039 18027 10809 1 16 . 1 1 112 112 LEU H H 112 7.618 7.618 7.340 0.278 18027 10810 1 16 . 1 1 113 113 GLY N N 113 107.263 107.263 106.338 0.925 18027 10811 1 16 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.870 -2.433 18027 10812 1 16 . 1 1 113 113 GLY H H 113 7.743 7.743 7.294 0.449 18027 10813 1 16 . 1 1 114 114 GLU N N 114 120.073 120.073 119.088 0.985 18027 10814 1 16 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.653 -0.363 18027 10815 1 16 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.898 -3.372 18027 10816 1 16 . 1 1 114 114 GLU CB C 114 27.539 27.539 33.223 -5.684 18027 10817 1 16 . 1 1 114 114 GLU H H 114 7.857 7.857 7.752 0.105 18027 10818 1 16 . 1 1 115 115 LYS N N 115 124.142 124.142 123.478 0.664 18027 10819 1 16 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.509 -0.289 18027 10820 1 16 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.444 -2.550 18027 10821 1 16 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.361 -3.880 18027 10822 1 16 . 1 1 115 115 LYS H H 115 8.377 8.377 8.582 -0.205 18027 10823 1 16 . 1 1 116 116 LEU N N 116 125.240 125.240 124.148 1.092 18027 10824 1 16 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.653 -0.181 18027 10825 1 16 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.575 -2.138 18027 10826 1 16 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.146 -3.471 18027 10827 1 16 . 1 1 116 116 LEU H H 116 8.002 8.002 8.431 -0.429 18027 10828 1 16 . 1 1 117 117 THR N N 117 113.520 113.520 112.404 1.116 18027 10829 1 16 . 1 1 117 117 THR CA C 117 57.922 57.922 60.774 -2.852 18027 10830 1 16 . 1 1 117 117 THR CB C 117 68.352 68.352 70.147 -1.794 18027 10831 1 16 . 1 1 117 117 THR H H 117 8.927 8.927 8.605 0.322 18027 10832 1 16 . 1 1 118 118 ASP N N 118 120.859 120.859 121.629 -0.770 18027 10833 1 16 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.445 -0.402 18027 10834 1 16 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.294 -2.129 18027 10835 1 16 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.846 -4.072 18027 10836 1 16 . 1 1 118 118 ASP H H 118 8.754 8.754 8.743 0.011 18027 10837 1 16 . 1 1 119 119 GLU N N 119 119.112 119.112 118.466 0.646 18027 10838 1 16 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.070 -0.143 18027 10839 1 16 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.996 -1.806 18027 10840 1 16 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.476 -3.193 18027 10841 1 16 . 1 1 119 119 GLU H H 119 8.507 8.507 8.774 -0.267 18027 10842 1 16 . 1 1 120 120 GLU N N 120 120.059 120.059 118.584 1.475 18027 10843 1 16 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.139 -0.281 18027 10844 1 16 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.385 -1.926 18027 10845 1 16 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.780 -2.264 18027 10846 1 16 . 1 1 120 120 GLU H H 120 7.809 7.809 7.877 -0.068 18027 10847 1 16 . 1 1 121 121 VAL N N 121 120.512 120.512 119.133 1.379 18027 10848 1 16 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.725 -0.253 18027 10849 1 16 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.398 -2.316 18027 10850 1 16 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.782 -3.215 18027 10851 1 16 . 1 1 121 121 VAL H H 121 7.898 7.898 7.344 0.554 18027 10852 1 16 . 1 1 122 122 ASP N N 122 119.857 119.857 120.238 -0.381 18027 10853 1 16 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.313 -0.145 18027 10854 1 16 . 1 1 122 122 ASP CA C 122 54.906 54.906 58.016 -3.110 18027 10855 1 16 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.759 -3.282 18027 10856 1 16 . 1 1 122 122 ASP H H 122 7.897 7.897 7.797 0.100 18027 10857 1 16 . 1 1 123 123 GLU N N 123 119.630 119.630 118.179 1.451 18027 10858 1 16 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.081 -0.243 18027 10859 1 16 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.816 -1.739 18027 10860 1 16 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.477 -3.308 18027 10861 1 16 . 1 1 123 123 GLU H H 123 7.963 7.963 7.597 0.366 18027 10862 1 16 . 1 1 124 124 MET N N 124 119.144 119.144 116.719 2.425 18027 10863 1 16 . 1 1 124 124 MET HA H 124 3.859 3.859 4.263 -0.404 18027 10864 1 16 . 1 1 124 124 MET CA C 124 56.508 56.508 57.509 -1.001 18027 10865 1 16 . 1 1 124 124 MET CB C 124 29.253 29.253 32.787 -3.534 18027 10866 1 16 . 1 1 124 124 MET H H 124 7.631 7.631 7.664 -0.033 18027 10867 1 16 . 1 1 125 125 ILE N N 125 117.557 117.557 120.021 -2.464 18027 10868 1 16 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.836 -0.552 18027 10869 1 16 . 1 1 125 125 ILE CA C 125 61.139 61.139 63.841 -2.702 18027 10870 1 16 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.660 -3.610 18027 10871 1 16 . 1 1 125 125 ILE H H 125 7.669 7.669 7.420 0.249 18027 10872 1 16 . 1 1 126 126 ARG N N 126 118.414 118.414 119.828 -1.414 18027 10873 1 16 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.170 -0.312 18027 10874 1 16 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.751 -1.949 18027 10875 1 16 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.721 -2.296 18027 10876 1 16 . 1 1 126 126 ARG H H 126 7.952 7.952 7.504 0.448 18027 10877 1 16 . 1 1 127 127 GLU N N 127 116.143 116.143 117.708 -1.565 18027 10878 1 16 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.317 -0.459 18027 10879 1 16 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.232 -2.017 18027 10880 1 16 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.037 -2.840 18027 10881 1 16 . 1 1 127 127 GLU H H 127 7.294 7.294 8.108 -0.814 18027 10882 1 16 . 1 1 128 128 ALA N N 128 116.994 116.994 119.690 -2.696 18027 10883 1 16 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.517 -0.064 18027 10884 1 16 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.932 -3.760 18027 10885 1 16 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.721 -0.949 18027 10886 1 16 . 1 1 128 128 ALA H H 128 7.110 7.110 7.187 -0.077 18027 10887 1 16 . 1 1 129 129 ASP N N 129 117.846 117.846 121.429 -3.583 18027 10888 1 16 . 1 1 129 129 ASP HA H 129 4.442 4.442 5.130 -0.688 18027 10889 1 16 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.496 -2.863 18027 10890 1 16 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.966 -2.461 18027 10891 1 16 . 1 1 129 129 ASP H H 129 7.508 7.508 8.593 -1.085 18027 10892 1 16 . 1 1 130 130 ILE N N 130 128.118 128.118 121.096 7.022 18027 10893 1 16 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.037 -0.287 18027 10894 1 16 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.694 -3.111 18027 10895 1 16 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.030 -2.267 18027 10896 1 16 . 1 1 130 130 ILE H H 130 8.168 8.168 8.457 -0.289 18027 10897 1 16 . 1 1 131 131 ASP N N 131 116.572 116.572 119.236 -2.664 18027 10898 1 16 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.586 -0.290 18027 10899 1 16 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.789 -2.667 18027 10900 1 16 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.884 -3.407 18027 10901 1 16 . 1 1 131 131 ASP H H 131 8.136 8.136 8.300 -0.164 18027 10902 1 16 . 1 1 132 132 GLY N N 132 108.411 108.411 109.071 -0.660 18027 10903 1 16 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.007 -1.500 18027 10904 1 16 . 1 1 132 132 GLY H H 132 7.460 7.460 8.352 -0.892 18027 10905 1 16 . 1 1 133 133 ASP N N 133 120.424 120.424 120.250 0.174 18027 10906 1 16 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.564 -0.268 18027 10907 1 16 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.725 -2.872 18027 10908 1 16 . 1 1 133 133 ASP H H 133 8.177 8.177 8.184 -0.007 18027 10909 1 16 . 1 1 134 134 GLY N N 134 112.396 112.396 107.288 5.108 18027 10910 1 16 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.222 -2.169 18027 10911 1 16 . 1 1 134 134 GLY H H 134 10.043 10.043 7.805 2.238 18027 10912 1 16 . 1 1 135 135 GLN N N 135 115.588 115.588 118.409 -2.821 18027 10913 1 16 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.257 -0.453 18027 10914 1 16 . 1 1 135 135 GLN CA C 135 50.415 50.415 54.058 -3.643 18027 10915 1 16 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.792 -3.511 18027 10916 1 16 . 1 1 135 135 GLN H H 135 7.866 7.866 8.011 -0.145 18027 10917 1 16 . 1 1 136 136 VAL N N 136 124.910 124.910 122.316 2.594 18027 10918 1 16 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.531 0.468 18027 10919 1 16 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.816 -2.109 18027 10920 1 16 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.137 -2.057 18027 10921 1 16 . 1 1 136 136 VAL H H 136 8.856 8.856 8.648 0.208 18027 10922 1 16 . 1 1 137 137 ASN N N 137 129.009 129.009 124.599 4.410 18027 10923 1 16 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.092 0.081 18027 10924 1 16 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.708 -3.625 18027 10925 1 16 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.208 -4.574 18027 10926 1 16 . 1 1 137 137 ASN H H 137 9.390 9.390 8.518 0.872 18027 10927 1 16 . 1 1 138 138 TYR N N 138 118.471 118.471 119.138 -0.667 18027 10928 1 16 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.305 0.173 18027 10929 1 16 . 1 1 138 138 TYR CA C 138 59.799 59.799 62.237 -2.438 18027 10930 1 16 . 1 1 138 138 TYR CB C 138 35.535 35.535 38.745 -3.210 18027 10931 1 16 . 1 1 138 138 TYR H H 138 8.075 8.075 9.034 -0.959 18027 10932 1 16 . 1 1 139 139 GLU N N 139 118.535 118.535 119.067 -0.532 18027 10933 1 16 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.159 -0.321 18027 10934 1 16 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.529 -1.998 18027 10935 1 16 . 1 1 139 139 GLU CB C 139 25.940 25.940 29.373 -3.433 18027 10936 1 16 . 1 1 139 139 GLU H H 139 7.925 7.925 8.167 -0.242 18027 10937 1 16 . 1 1 140 140 GLU N N 140 119.583 119.583 119.802 -0.219 18027 10938 1 16 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.161 -0.312 18027 10939 1 16 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.692 -2.610 18027 10940 1 16 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.939 -3.428 18027 10941 1 16 . 1 1 140 140 GLU H H 140 8.664 8.664 8.567 0.097 18027 10942 1 16 . 1 1 141 141 PHE N N 141 123.810 123.810 120.450 3.360 18027 10943 1 16 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.145 -0.424 18027 10944 1 16 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.592 -2.499 18027 10945 1 16 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.214 -1.509 18027 10946 1 16 . 1 1 141 141 PHE H H 141 8.395 8.395 8.178 0.217 18027 10947 1 16 . 1 1 142 142 VAL N N 142 118.551 118.551 118.416 0.135 18027 10948 1 16 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.604 -0.512 18027 10949 1 16 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.620 -2.438 18027 10950 1 16 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.895 -3.099 18027 10951 1 16 . 1 1 142 142 VAL H H 142 8.484 8.484 8.318 0.166 18027 10952 1 16 . 1 1 143 143 GLN N N 143 119.672 119.672 117.562 2.110 18027 10953 1 16 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.091 -0.253 18027 10954 1 16 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.090 -1.817 18027 10955 1 16 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.446 -3.534 18027 10956 1 16 . 1 1 143 143 GLN H H 143 7.803 7.803 7.596 0.207 18027 10957 1 16 . 1 1 144 144 MET N N 144 116.710 116.710 117.856 -1.146 18027 10958 1 16 . 1 1 144 144 MET HA H 144 3.943 3.943 4.147 -0.204 18027 10959 1 16 . 1 1 144 144 MET CA C 144 55.387 55.387 57.803 -2.416 18027 10960 1 16 . 1 1 144 144 MET CB C 144 29.709 29.709 32.027 -2.318 18027 10961 1 16 . 1 1 144 144 MET H H 144 7.322 7.322 7.313 0.009 18027 10962 1 16 . 1 1 145 145 MET N N 145 114.879 114.879 115.186 -0.307 18027 10963 1 16 . 1 1 145 145 MET HA H 145 4.062 4.062 4.378 -0.316 18027 10964 1 16 . 1 1 145 145 MET CA C 145 53.291 53.291 56.626 -3.335 18027 10965 1 16 . 1 1 145 145 MET CB C 145 29.253 29.253 32.718 -3.465 18027 10966 1 16 . 1 1 145 145 MET H H 145 7.467 7.467 7.670 -0.203 18027 10967 1 16 . 1 1 146 146 THR N N 146 108.698 108.698 109.567 -0.869 18027 10968 1 16 . 1 1 146 146 THR HA H 146 4.136 4.136 4.379 -0.243 18027 10969 1 16 . 1 1 146 146 THR CA C 146 59.201 59.201 61.906 -2.705 18027 10970 1 16 . 1 1 146 146 THR CB C 146 67.404 67.404 69.452 -2.048 18027 10971 1 16 . 1 1 146 146 THR H H 146 7.551 7.551 7.529 0.022 18027 10972 1 16 . 1 1 147 147 ALA N N 147 126.669 126.669 124.742 1.927 18027 10973 1 16 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.445 -0.300 18027 10974 1 16 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.474 -1.401 18027 10975 1 16 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.271 -3.926 18027 10976 1 16 . 1 1 147 147 ALA H H 147 7.596 7.596 7.065 0.531 18027 10977 1 17 . 1 1 2 2 ASP N N 2 120.442 120.442 121.193 -0.751 18027 10978 1 17 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.472 -0.019 18027 10979 1 17 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.592 -2.663 18027 10980 1 17 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.607 -3.102 18027 10981 1 17 . 1 1 2 2 ASP H H 2 8.521 8.521 8.399 0.122 18027 10982 1 17 . 1 1 3 3 GLN N N 3 119.769 119.769 120.531 -0.762 18027 10983 1 17 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.491 -0.273 18027 10984 1 17 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.310 -2.624 18027 10985 1 17 . 1 1 3 3 GLN H H 3 8.199 8.199 8.430 -0.231 18027 10986 1 17 . 1 1 4 4 LEU N N 4 120.939 120.939 123.127 -2.188 18027 10987 1 17 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.524 -0.041 18027 10988 1 17 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.534 -2.950 18027 10989 1 17 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.271 -2.710 18027 10990 1 17 . 1 1 4 4 LEU H H 4 7.510 7.510 8.407 -0.897 18027 10991 1 17 . 1 1 5 5 THR N N 5 112.777 112.777 113.282 -0.505 18027 10992 1 17 . 1 1 5 5 THR HA H 5 4.253 4.253 4.462 -0.209 18027 10993 1 17 . 1 1 5 5 THR CA C 5 57.873 57.873 61.471 -3.598 18027 10994 1 17 . 1 1 5 5 THR CB C 5 68.203 68.203 70.290 -2.087 18027 10995 1 17 . 1 1 5 5 THR H H 5 8.576 8.576 8.296 0.280 18027 10996 1 17 . 1 1 6 6 GLU N N 6 120.254 120.254 120.150 0.104 18027 10997 1 17 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.019 -0.225 18027 10998 1 17 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.418 -1.773 18027 10999 1 17 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.231 -2.945 18027 11000 1 17 . 1 1 6 6 GLU H H 6 8.874 8.874 8.850 0.024 18027 11001 1 17 . 1 1 7 7 GLU N N 7 119.637 119.637 119.376 0.261 18027 11002 1 17 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.138 -0.242 18027 11003 1 17 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.080 -1.904 18027 11004 1 17 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.338 -3.284 18027 11005 1 17 . 1 1 7 7 GLU H H 7 8.536 8.536 8.291 0.245 18027 11006 1 17 . 1 1 8 8 GLN N N 8 120.086 120.086 118.602 1.484 18027 11007 1 17 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.289 -0.451 18027 11008 1 17 . 1 1 8 8 GLN CA C 8 56.411 56.411 57.874 -1.463 18027 11009 1 17 . 1 1 8 8 GLN CB C 8 26.625 26.625 28.928 -2.303 18027 11010 1 17 . 1 1 8 8 GLN H H 8 7.499 7.499 7.806 -0.307 18027 11011 1 17 . 1 1 9 9 ILE N N 9 120.295 120.295 119.830 0.465 18027 11012 1 17 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.728 -0.061 18027 11013 1 17 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.839 -0.793 18027 11014 1 17 . 1 1 9 9 ILE H H 9 8.405 8.405 8.811 -0.406 18027 11015 1 17 . 1 1 10 10 ALA N N 10 121.503 121.503 121.206 0.297 18027 11016 1 17 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.106 -0.195 18027 11017 1 17 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.080 -2.423 18027 11018 1 17 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.196 -3.221 18027 11019 1 17 . 1 1 10 10 ALA H H 10 7.949 7.949 7.580 0.369 18027 11020 1 17 . 1 1 11 11 GLU N N 11 118.352 118.352 118.674 -0.322 18027 11021 1 17 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.107 -0.269 18027 11022 1 17 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.455 -1.782 18027 11023 1 17 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.561 -2.593 18027 11024 1 17 . 1 1 11 11 GLU H H 11 7.700 7.700 7.899 -0.199 18027 11025 1 17 . 1 1 12 12 PHE N N 12 117.277 117.277 120.935 -3.658 18027 11026 1 17 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.190 0.287 18027 11027 1 17 . 1 1 12 12 PHE CA C 12 59.655 59.655 62.539 -2.885 18027 11028 1 17 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.356 -3.821 18027 11029 1 17 . 1 1 12 12 PHE H H 12 8.211 8.211 7.775 0.436 18027 11030 1 17 . 1 1 13 13 LYS N N 13 122.928 122.928 118.978 3.950 18027 11031 1 17 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.929 -0.004 18027 11032 1 17 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.441 -2.288 18027 11033 1 17 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.183 -6.014 18027 11034 1 17 . 1 1 13 13 LYS H H 13 8.925 8.925 7.744 1.181 18027 11035 1 17 . 1 1 14 14 GLU N N 14 119.706 119.706 117.637 2.069 18027 11036 1 17 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.169 -0.311 18027 11037 1 17 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.788 -2.452 18027 11038 1 17 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.840 -3.557 18027 11039 1 17 . 1 1 14 14 GLU H H 14 7.824 7.824 7.748 0.076 18027 11040 1 17 . 1 1 15 15 ALA N N 15 123.880 123.880 122.524 1.356 18027 11041 1 17 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.223 -0.356 18027 11042 1 17 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.337 -1.502 18027 11043 1 17 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.374 -3.171 18027 11044 1 17 . 1 1 15 15 ALA H H 15 8.124 8.124 7.898 0.226 18027 11045 1 17 . 1 1 16 16 PHE N N 16 118.972 118.972 118.542 0.430 18027 11046 1 17 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.073 -0.941 18027 11047 1 17 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.356 -0.373 18027 11048 1 17 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.368 -2.919 18027 11049 1 17 . 1 1 16 16 PHE H H 16 8.446 8.446 8.060 0.386 18027 11050 1 17 . 1 1 17 17 SER N N 17 114.737 114.737 114.421 0.316 18027 11051 1 17 . 1 1 17 17 SER HA H 17 3.902 3.902 4.291 -0.389 18027 11052 1 17 . 1 1 17 17 SER CA C 17 58.999 58.999 61.103 -2.104 18027 11053 1 17 . 1 1 17 17 SER CB C 17 60.436 60.436 63.390 -2.954 18027 11054 1 17 . 1 1 17 17 SER H H 17 7.874 7.874 7.551 0.323 18027 11055 1 17 . 1 1 18 18 LEU N N 18 120.225 120.225 121.077 -0.852 18027 11056 1 17 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.069 -0.284 18027 11057 1 17 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.515 -2.786 18027 11058 1 17 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.230 -4.068 18027 11059 1 17 . 1 1 18 18 LEU H H 18 7.183 7.183 7.322 -0.139 18027 11060 1 17 . 1 1 19 19 PHE N N 19 112.357 112.357 113.487 -1.130 18027 11061 1 17 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.808 -2.384 18027 11062 1 17 . 1 1 19 19 PHE H H 19 6.977 6.977 7.470 -0.493 18027 11063 1 17 . 1 1 20 20 ASP N N 20 117.274 117.274 119.459 -2.185 18027 11064 1 17 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.909 -0.477 18027 11065 1 17 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.909 -3.397 18027 11066 1 17 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.700 -4.023 18027 11067 1 17 . 1 1 20 20 ASP H H 20 7.446 7.446 7.526 -0.080 18027 11068 1 17 . 1 1 21 21 LYS N N 21 124.296 124.296 121.396 2.900 18027 11069 1 17 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.202 -0.364 18027 11070 1 17 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.603 -1.925 18027 11071 1 17 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.268 -2.673 18027 11072 1 17 . 1 1 21 21 LYS H H 21 7.520 7.520 7.990 -0.470 18027 11073 1 17 . 1 1 22 22 ASP N N 22 113.761 113.761 118.828 -5.067 18027 11074 1 17 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.714 -0.280 18027 11075 1 17 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.919 -4.858 18027 11076 1 17 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.414 -4.851 18027 11077 1 17 . 1 1 22 22 ASP H H 22 7.819 7.819 8.169 -0.350 18027 11078 1 17 . 1 1 23 23 GLY N N 23 108.838 108.838 106.975 1.863 18027 11079 1 17 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.905 -1.600 18027 11080 1 17 . 1 1 23 23 GLY H H 23 7.497 7.497 8.024 -0.527 18027 11081 1 17 . 1 1 24 24 ASP N N 24 120.790 120.790 120.092 0.698 18027 11082 1 17 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.784 -0.434 18027 11083 1 17 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.404 -3.551 18027 11084 1 17 . 1 1 24 24 ASP CB C 24 37.363 37.363 42.085 -4.722 18027 11085 1 17 . 1 1 24 24 ASP H H 24 8.312 8.312 8.726 -0.414 18027 11086 1 17 . 1 1 25 25 GLY N N 25 112.499 112.499 109.528 2.971 18027 11087 1 17 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.362 -2.942 18027 11088 1 17 . 1 1 25 25 GLY H H 25 10.352 10.352 8.404 1.948 18027 11089 1 17 . 1 1 26 26 THR N N 26 111.781 111.781 112.437 -0.656 18027 11090 1 17 . 1 1 26 26 THR HA H 26 5.316 5.316 5.570 -0.254 18027 11091 1 17 . 1 1 26 26 THR CA C 26 56.878 56.878 60.913 -4.035 18027 11092 1 17 . 1 1 26 26 THR CB C 26 70.031 70.031 71.989 -1.958 18027 11093 1 17 . 1 1 26 26 THR H H 26 8.018 8.018 9.022 -1.004 18027 11094 1 17 . 1 1 27 27 ILE N N 27 126.162 126.162 125.610 0.552 18027 11095 1 17 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.473 0.185 18027 11096 1 17 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.158 -1.681 18027 11097 1 17 . 1 1 27 27 ILE CB C 27 37.572 37.572 38.320 -0.748 18027 11098 1 17 . 1 1 27 27 ILE H H 27 9.769 9.769 8.650 1.119 18027 11099 1 17 . 1 1 28 28 THR N N 28 116.311 116.311 123.254 -6.943 18027 11100 1 17 . 1 1 28 28 THR HA H 28 4.669 4.669 5.070 -0.401 18027 11101 1 17 . 1 1 28 28 THR CA C 28 56.878 56.878 62.569 -5.691 18027 11102 1 17 . 1 1 28 28 THR CB C 28 69.688 69.688 69.860 -0.172 18027 11103 1 17 . 1 1 28 28 THR H H 28 8.302 8.302 8.210 0.092 18027 11104 1 17 . 1 1 29 29 THR N N 29 112.465 112.465 115.307 -2.842 18027 11105 1 17 . 1 1 29 29 THR HA H 29 3.633 3.633 3.977 -0.344 18027 11106 1 17 . 1 1 29 29 THR CA C 29 63.820 63.820 66.439 -2.619 18027 11107 1 17 . 1 1 29 29 THR CB C 29 65.160 65.160 68.455 -3.295 18027 11108 1 17 . 1 1 29 29 THR H H 29 9.078 9.078 8.779 0.299 18027 11109 1 17 . 1 1 30 30 LYS N N 30 120.792 120.792 121.427 -0.635 18027 11110 1 17 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.151 -0.196 18027 11111 1 17 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.903 -2.334 18027 11112 1 17 . 1 1 30 30 LYS CB C 30 29.595 29.595 32.152 -2.557 18027 11113 1 17 . 1 1 30 30 LYS H H 30 7.467 7.467 8.590 -1.123 18027 11114 1 17 . 1 1 31 31 GLU N N 31 121.359 121.359 119.705 1.654 18027 11115 1 17 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.111 -0.205 18027 11116 1 17 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.987 -2.310 18027 11117 1 17 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.575 -2.493 18027 11118 1 17 . 1 1 31 31 GLU H H 31 7.574 7.574 7.573 0.001 18027 11119 1 17 . 1 1 32 32 LEU N N 32 120.087 120.087 121.077 -0.990 18027 11120 1 17 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.296 -0.239 18027 11121 1 17 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.629 -2.057 18027 11122 1 17 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.178 -2.326 18027 11123 1 17 . 1 1 32 32 LEU H H 32 8.712 8.712 7.946 0.766 18027 11124 1 17 . 1 1 33 33 GLY N N 33 105.634 105.634 104.998 0.636 18027 11125 1 17 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.159 -1.522 18027 11126 1 17 . 1 1 33 33 GLY H H 33 8.696 8.696 7.763 0.933 18027 11127 1 17 . 1 1 34 34 THR N N 34 117.265 117.265 118.761 -1.496 18027 11128 1 17 . 1 1 34 34 THR HA H 34 3.810 3.810 3.889 -0.079 18027 11129 1 17 . 1 1 34 34 THR CA C 34 64.259 64.259 66.078 -1.819 18027 11130 1 17 . 1 1 34 34 THR CB C 34 66.033 66.033 68.748 -2.715 18027 11131 1 17 . 1 1 34 34 THR H H 34 7.785 7.785 7.523 0.262 18027 11132 1 17 . 1 1 35 35 VAL N N 35 121.498 121.498 120.642 0.856 18027 11133 1 17 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.789 -0.388 18027 11134 1 17 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.430 -1.122 18027 11135 1 17 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.498 -2.702 18027 11136 1 17 . 1 1 35 35 VAL H H 35 7.268 7.268 7.481 -0.213 18027 11137 1 17 . 1 1 36 36 MET N N 36 117.302 117.302 118.810 -1.508 18027 11138 1 17 . 1 1 36 36 MET HA H 36 3.842 3.842 4.336 -0.494 18027 11139 1 17 . 1 1 36 36 MET CA C 36 56.606 56.606 56.561 0.045 18027 11140 1 17 . 1 1 36 36 MET CB C 36 28.453 28.453 32.230 -3.777 18027 11141 1 17 . 1 1 36 36 MET H H 36 8.487 8.487 7.875 0.612 18027 11142 1 17 . 1 1 37 37 ARG N N 37 118.262 118.262 118.918 -0.656 18027 11143 1 17 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.448 0.209 18027 11144 1 17 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.702 -2.222 18027 11145 1 17 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.252 -3.512 18027 11146 1 17 . 1 1 37 37 ARG H H 37 8.330 8.330 7.695 0.635 18027 11147 1 17 . 1 1 38 38 SER N N 38 117.873 117.873 113.938 3.935 18027 11148 1 17 . 1 1 38 38 SER H H 38 7.815 7.815 7.623 0.192 18027 11149 1 17 . 1 1 39 39 LEU N N 39 117.970 117.970 118.810 -0.840 18027 11150 1 17 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.269 -0.197 18027 11151 1 17 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.240 -3.802 18027 11152 1 17 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.076 -3.914 18027 11153 1 17 . 1 1 39 39 LEU H H 39 7.326 7.326 7.605 -0.279 18027 11154 1 17 . 1 1 40 40 GLY N N 40 106.755 106.755 105.978 0.777 18027 11155 1 17 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.747 -2.083 18027 11156 1 17 . 1 1 40 40 GLY H H 40 7.636 7.636 7.508 0.128 18027 11157 1 17 . 1 1 41 41 GLN N N 41 118.316 118.316 119.689 -1.373 18027 11158 1 17 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.538 -0.253 18027 11159 1 17 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.373 -3.520 18027 11160 1 17 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.990 -4.679 18027 11161 1 17 . 1 1 41 41 GLN H H 41 7.827 7.827 7.664 0.163 18027 11162 1 17 . 1 1 42 42 ASN N N 42 115.866 115.866 122.024 -6.158 18027 11163 1 17 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.140 -0.127 18027 11164 1 17 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.458 -2.896 18027 11165 1 17 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.352 -3.034 18027 11166 1 17 . 1 1 42 42 ASN H H 42 8.557 8.557 8.699 -0.142 18027 11167 1 17 . 1 1 44 44 THR N N 44 113.035 113.035 115.090 -2.055 18027 11168 1 17 . 1 1 44 44 THR HA H 44 4.296 4.296 4.438 -0.142 18027 11169 1 17 . 1 1 44 44 THR CA C 44 57.922 57.922 60.465 -2.543 18027 11170 1 17 . 1 1 44 44 THR CB C 44 68.317 68.317 70.151 -1.834 18027 11171 1 17 . 1 1 44 44 THR H H 44 8.694 8.694 8.103 0.591 18027 11172 1 17 . 1 1 45 45 GLU N N 45 120.283 120.283 120.631 -0.348 18027 11173 1 17 . 1 1 45 45 GLU HA H 45 3.896 3.896 3.975 -0.079 18027 11174 1 17 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.789 -2.433 18027 11175 1 17 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.245 -3.529 18027 11176 1 17 . 1 1 45 45 GLU H H 45 8.687 8.687 8.726 -0.039 18027 11177 1 17 . 1 1 46 46 ALA N N 46 120.685 120.685 121.870 -1.185 18027 11178 1 17 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.254 -0.384 18027 11179 1 17 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.578 -2.262 18027 11180 1 17 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.021 -2.932 18027 11181 1 17 . 1 1 46 46 ALA H H 46 8.153 8.153 8.197 -0.044 18027 11182 1 17 . 1 1 47 47 GLU N N 47 118.546 118.546 117.859 0.687 18027 11183 1 17 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.192 -0.333 18027 11184 1 17 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.774 -2.266 18027 11185 1 17 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.206 -2.466 18027 11186 1 17 . 1 1 47 47 GLU H H 47 7.554 7.554 8.543 -0.989 18027 11187 1 17 . 1 1 48 48 LEU N N 48 120.085 120.085 119.821 0.264 18027 11188 1 17 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.126 -0.186 18027 11189 1 17 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.698 -2.330 18027 11190 1 17 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.808 -2.389 18027 11191 1 17 . 1 1 48 48 LEU H H 48 8.247 8.247 7.517 0.730 18027 11192 1 17 . 1 1 49 49 GLN N N 49 118.119 118.119 117.187 0.932 18027 11193 1 17 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.011 -0.098 18027 11194 1 17 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.885 -2.182 18027 11195 1 17 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.389 -1.992 18027 11196 1 17 . 1 1 49 49 GLN H H 49 7.891 7.891 7.928 -0.037 18027 11197 1 17 . 1 1 50 50 ASP N N 50 119.263 119.263 120.747 -1.484 18027 11198 1 17 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.467 -0.288 18027 11199 1 17 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.843 -1.966 18027 11200 1 17 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.947 -3.699 18027 11201 1 17 . 1 1 50 50 ASP H H 50 7.803 7.803 7.642 0.161 18027 11202 1 17 . 1 1 51 51 MET N N 51 120.178 120.178 117.138 3.040 18027 11203 1 17 . 1 1 51 51 MET HA H 51 3.966 3.966 4.125 -0.159 18027 11204 1 17 . 1 1 51 51 MET CA C 51 57.074 57.074 58.908 -1.834 18027 11205 1 17 . 1 1 51 51 MET CB C 51 29.975 29.975 33.096 -3.121 18027 11206 1 17 . 1 1 51 51 MET H H 51 7.831 7.831 7.351 0.480 18027 11207 1 17 . 1 1 52 52 ILE N N 52 116.856 116.856 120.456 -3.600 18027 11208 1 17 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.717 -0.369 18027 11209 1 17 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.303 -2.628 18027 11210 1 17 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.636 -3.813 18027 11211 1 17 . 1 1 52 52 ILE H H 52 7.703 7.703 7.728 -0.025 18027 11212 1 17 . 1 1 53 53 ASN N N 53 117.417 117.417 114.847 2.570 18027 11213 1 17 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.491 -0.238 18027 11214 1 17 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.692 -2.651 18027 11215 1 17 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.246 -3.168 18027 11216 1 17 . 1 1 53 53 ASN H H 53 8.187 8.187 7.919 0.268 18027 11217 1 17 . 1 1 54 54 GLU N N 54 116.996 116.996 118.552 -1.556 18027 11218 1 17 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.283 -0.424 18027 11219 1 17 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.018 -2.144 18027 11220 1 17 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.460 -4.063 18027 11221 1 17 . 1 1 54 54 GLU H H 54 7.391 7.391 7.605 -0.214 18027 11222 1 17 . 1 1 55 55 VAL N N 55 114.596 114.596 115.060 -0.464 18027 11223 1 17 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.146 -0.159 18027 11224 1 17 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.487 -3.542 18027 11225 1 17 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.665 -1.927 18027 11226 1 17 . 1 1 55 55 VAL H H 55 7.151 7.151 7.608 -0.457 18027 11227 1 17 . 1 1 56 56 ASP N N 56 119.670 119.670 122.691 -3.021 18027 11228 1 17 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.456 -0.139 18027 11229 1 17 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.400 -4.044 18027 11230 1 17 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.519 -3.928 18027 11231 1 17 . 1 1 56 56 ASP H H 56 7.913 7.913 8.303 -0.390 18027 11232 1 17 . 1 1 57 57 ALA N N 57 131.491 131.491 129.374 2.117 18027 11233 1 17 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.195 -0.094 18027 11234 1 17 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.760 -2.577 18027 11235 1 17 . 1 1 57 57 ALA H H 57 8.126 8.126 8.716 -0.590 18027 11236 1 17 . 1 1 58 58 ASP N N 58 114.255 114.255 117.182 -2.927 18027 11237 1 17 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.649 -0.215 18027 11238 1 17 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.755 -4.795 18027 11239 1 17 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.836 -5.273 18027 11240 1 17 . 1 1 58 58 ASP H H 58 8.130 8.130 8.174 -0.044 18027 11241 1 17 . 1 1 59 59 GLY N N 59 108.987 108.987 109.509 -0.522 18027 11242 1 17 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.341 -1.045 18027 11243 1 17 . 1 1 59 59 GLY H H 59 7.504 7.504 8.730 -1.226 18027 11244 1 17 . 1 1 60 60 ASN N N 60 118.770 118.770 118.368 0.402 18027 11245 1 17 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.816 -0.387 18027 11246 1 17 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.214 -2.355 18027 11247 1 17 . 1 1 60 60 ASN CB C 60 34.507 34.507 39.858 -5.351 18027 11248 1 17 . 1 1 60 60 ASN H H 60 8.095 8.095 8.405 -0.310 18027 11249 1 17 . 1 1 61 61 GLY N N 61 112.773 112.773 109.469 3.304 18027 11250 1 17 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.264 -2.551 18027 11251 1 17 . 1 1 61 61 GLY H H 61 10.280 10.280 9.207 1.073 18027 11252 1 17 . 1 1 62 62 THR N N 62 108.117 108.117 110.687 -2.570 18027 11253 1 17 . 1 1 62 62 THR HA H 62 4.672 4.672 4.990 -0.318 18027 11254 1 17 . 1 1 62 62 THR CA C 62 56.878 56.878 60.096 -3.218 18027 11255 1 17 . 1 1 62 62 THR CB C 62 69.688 69.688 71.864 -2.176 18027 11256 1 17 . 1 1 62 62 THR H H 62 7.475 7.475 7.748 -0.273 18027 11257 1 17 . 1 1 63 63 ILE N N 63 122.642 122.642 117.170 5.472 18027 11258 1 17 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.676 0.120 18027 11259 1 17 . 1 1 63 63 ILE CA C 63 57.812 57.812 59.782 -1.970 18027 11260 1 17 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.088 -3.725 18027 11261 1 17 . 1 1 63 63 ILE H H 63 8.449 8.449 7.571 0.878 18027 11262 1 17 . 1 1 64 64 ASP N N 64 128.633 128.633 124.517 4.116 18027 11263 1 17 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.388 -0.073 18027 11264 1 17 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.387 -4.107 18027 11265 1 17 . 1 1 64 64 ASP CB C 64 39.761 39.761 42.804 -3.043 18027 11266 1 17 . 1 1 64 64 ASP H H 64 9.011 9.011 8.482 0.529 18027 11267 1 17 . 1 1 65 65 PHE N N 65 118.892 118.892 116.516 2.376 18027 11268 1 17 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.076 -0.309 18027 11269 1 17 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.468 -0.255 18027 11270 1 17 . 1 1 65 65 PHE H H 65 8.766 8.766 8.116 0.650 18027 11271 1 17 . 1 1 67 67 GLU N N 67 118.675 118.675 115.921 2.754 18027 11272 1 17 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.304 -0.467 18027 11273 1 17 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.305 -0.700 18027 11274 1 17 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.682 -2.285 18027 11275 1 17 . 1 1 67 67 GLU H H 67 7.487 7.487 8.751 -1.264 18027 11276 1 17 . 1 1 68 68 PHE N N 68 123.182 123.182 121.928 1.254 18027 11277 1 17 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.329 -0.661 18027 11278 1 17 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.621 -3.192 18027 11279 1 17 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.666 -2.075 18027 11280 1 17 . 1 1 68 68 PHE H H 68 8.066 8.066 7.505 0.561 18027 11281 1 17 . 1 1 69 69 LEU N N 69 119.530 119.530 117.186 2.344 18027 11282 1 17 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.395 -0.440 18027 11283 1 17 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.193 -2.419 18027 11284 1 17 . 1 1 69 69 LEU CB C 69 39.419 39.419 40.734 -1.315 18027 11285 1 17 . 1 1 69 69 LEU H H 69 8.672 8.672 8.219 0.453 18027 11286 1 17 . 1 1 70 70 THR N N 70 113.765 113.765 115.908 -2.143 18027 11287 1 17 . 1 1 70 70 THR HA H 70 3.806 3.806 4.029 -0.223 18027 11288 1 17 . 1 1 70 70 THR CA C 70 63.861 63.861 66.691 -2.830 18027 11289 1 17 . 1 1 70 70 THR CB C 70 66.147 66.147 68.676 -2.529 18027 11290 1 17 . 1 1 70 70 THR H H 70 7.909 7.909 7.232 0.677 18027 11291 1 17 . 1 1 71 71 MET N N 71 119.518 119.518 119.511 0.007 18027 11292 1 17 . 1 1 71 71 MET HA H 71 3.881 3.881 4.082 -0.201 18027 11293 1 17 . 1 1 71 71 MET CA C 71 56.106 56.106 58.812 -2.706 18027 11294 1 17 . 1 1 71 71 MET CB C 71 29.595 29.595 32.664 -3.070 18027 11295 1 17 . 1 1 71 71 MET H H 71 7.120 7.120 7.431 -0.311 18027 11296 1 17 . 1 1 72 72 MET N N 72 116.280 116.280 118.054 -1.774 18027 11297 1 17 . 1 1 72 72 MET HA H 72 3.817 3.817 4.160 -0.343 18027 11298 1 17 . 1 1 72 72 MET CA C 72 55.111 55.111 58.784 -3.673 18027 11299 1 17 . 1 1 72 72 MET CB C 72 27.892 27.892 32.835 -4.943 18027 11300 1 17 . 1 1 72 72 MET H H 72 7.737 7.737 7.494 0.243 18027 11301 1 17 . 1 1 73 73 ALA N N 73 119.984 119.984 119.116 0.868 18027 11302 1 17 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.218 -0.380 18027 11303 1 17 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.803 -1.991 18027 11304 1 17 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.387 -3.184 18027 11305 1 17 . 1 1 73 73 ALA H H 73 8.322 8.322 7.771 0.551 18027 11306 1 17 . 1 1 74 74 ARG N N 74 116.354 116.354 119.280 -2.926 18027 11307 1 17 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.161 -0.323 18027 11308 1 17 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.937 -2.979 18027 11309 1 17 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.499 -5.244 18027 11310 1 17 . 1 1 74 74 ARG H H 74 7.264 7.264 7.757 -0.493 18027 11311 1 17 . 1 1 75 75 LYS N N 75 120.084 120.084 118.595 1.489 18027 11312 1 17 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.405 -0.457 18027 11313 1 17 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.448 -2.589 18027 11314 1 17 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.023 -3.342 18027 11315 1 17 . 1 1 75 75 LYS H H 75 7.756 7.756 7.677 0.079 18027 11316 1 17 . 1 1 76 76 MET N N 76 117.139 117.139 118.447 -1.308 18027 11317 1 17 . 1 1 76 76 MET HA H 76 4.168 4.168 4.445 -0.277 18027 11318 1 17 . 1 1 76 76 MET CA C 76 54.704 54.704 56.454 -1.750 18027 11319 1 17 . 1 1 76 76 MET CB C 76 30.052 30.052 32.322 -2.270 18027 11320 1 17 . 1 1 76 76 MET H H 76 7.985 7.985 7.587 0.398 18027 11321 1 17 . 1 1 77 77 LYS N N 77 116.614 116.614 118.527 -1.913 18027 11322 1 17 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.346 -0.125 18027 11323 1 17 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.378 -3.194 18027 11324 1 17 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.583 -6.300 18027 11325 1 17 . 1 1 77 77 LYS H H 77 7.275 7.275 7.467 -0.192 18027 11326 1 17 . 1 1 78 78 ASP N N 78 123.187 123.187 119.462 3.725 18027 11327 1 17 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.762 -0.311 18027 11328 1 17 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.988 -3.256 18027 11329 1 17 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.670 -3.279 18027 11330 1 17 . 1 1 78 78 ASP H H 78 8.181 8.181 7.710 0.471 18027 11331 1 17 . 1 1 79 79 THR N N 79 114.325 114.325 111.631 2.694 18027 11332 1 17 . 1 1 79 79 THR HA H 79 4.034 4.034 3.937 0.097 18027 11333 1 17 . 1 1 79 79 THR CA C 79 61.322 61.322 64.517 -3.195 18027 11334 1 17 . 1 1 79 79 THR CB C 79 66.147 66.147 66.769 -0.622 18027 11335 1 17 . 1 1 79 79 THR H H 79 8.377 8.377 8.389 -0.012 18027 11336 1 17 . 1 1 80 80 ASP N N 80 120.844 120.844 119.330 1.514 18027 11337 1 17 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.784 -0.479 18027 11338 1 17 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.633 -2.961 18027 11339 1 17 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.927 -3.336 18027 11340 1 17 . 1 1 80 80 ASP H H 80 8.223 8.223 8.694 -0.471 18027 11341 1 17 . 1 1 81 81 SER N N 81 115.729 115.729 114.948 0.781 18027 11342 1 17 . 1 1 81 81 SER HA H 81 3.911 3.911 4.633 -0.722 18027 11343 1 17 . 1 1 81 81 SER CA C 81 57.939 57.939 60.148 -2.209 18027 11344 1 17 . 1 1 81 81 SER CB C 81 60.664 60.664 63.246 -2.582 18027 11345 1 17 . 1 1 81 81 SER H H 81 7.785 7.785 8.326 -0.541 18027 11346 1 17 . 1 1 82 82 GLU N N 82 121.960 121.960 122.943 -0.983 18027 11347 1 17 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.016 -0.120 18027 11348 1 17 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.923 -2.094 18027 11349 1 17 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.283 -2.658 18027 11350 1 17 . 1 1 82 82 GLU H H 82 8.208 8.208 8.621 -0.413 18027 11351 1 17 . 1 1 83 83 GLU N N 83 118.040 118.040 117.104 0.936 18027 11352 1 17 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.139 -0.301 18027 11353 1 17 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.590 -2.646 18027 11354 1 17 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.209 -2.377 18027 11355 1 17 . 1 1 83 83 GLU H H 83 7.898 7.898 7.771 0.127 18027 11356 1 17 . 1 1 84 84 GLU N N 84 118.825 118.825 120.055 -1.230 18027 11357 1 17 . 1 1 84 84 GLU CA C 84 54.758 54.758 59.075 -4.317 18027 11358 1 17 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.899 0.953 18027 11359 1 17 . 1 1 84 84 GLU H H 84 8.154 8.154 7.834 0.320 18027 11360 1 17 . 1 1 85 85 ILE N N 85 119.310 119.310 119.582 -0.272 18027 11361 1 17 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.901 -0.134 18027 11362 1 17 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.503 -4.645 18027 11363 1 17 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.832 -2.183 18027 11364 1 17 . 1 1 85 85 ILE H H 85 7.793 7.793 7.466 0.327 18027 11365 1 17 . 1 1 86 86 ARG N N 86 120.640 120.640 119.746 0.894 18027 11366 1 17 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.911 0.014 18027 11367 1 17 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.642 -2.377 18027 11368 1 17 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.350 -2.496 18027 11369 1 17 . 1 1 86 86 ARG H H 86 8.177 8.177 7.791 0.386 18027 11370 1 17 . 1 1 87 87 GLU N N 87 119.448 119.448 119.665 -0.217 18027 11371 1 17 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.204 -0.352 18027 11372 1 17 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.798 -2.155 18027 11373 1 17 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.423 -3.369 18027 11374 1 17 . 1 1 87 87 GLU H H 87 7.828 7.828 7.616 0.212 18027 11375 1 17 . 1 1 88 88 ALA N N 88 122.592 122.592 122.058 0.534 18027 11376 1 17 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.327 -0.299 18027 11377 1 17 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.556 -1.960 18027 11378 1 17 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.627 -3.995 18027 11379 1 17 . 1 1 88 88 ALA H H 88 8.283 8.283 7.598 0.685 18027 11380 1 17 . 1 1 89 89 PHE N N 89 119.245 119.245 119.752 -0.507 18027 11381 1 17 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.010 -0.896 18027 11382 1 17 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.901 -2.356 18027 11383 1 17 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.669 -3.334 18027 11384 1 17 . 1 1 89 89 PHE H H 89 8.423 8.423 8.434 -0.011 18027 11385 1 17 . 1 1 90 90 ARG N N 90 117.455 117.455 118.878 -1.423 18027 11386 1 17 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.415 -0.566 18027 11387 1 17 . 1 1 90 90 ARG CA C 90 56.313 56.313 59.082 -2.769 18027 11388 1 17 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.599 -2.402 18027 11389 1 17 . 1 1 90 90 ARG H H 90 7.840 7.840 7.796 0.044 18027 11390 1 17 . 1 1 91 91 VAL N N 91 118.698 118.698 118.774 -0.076 18027 11391 1 17 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.848 -0.596 18027 11392 1 17 . 1 1 91 91 VAL CA C 91 63.333 63.333 65.135 -1.802 18027 11393 1 17 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.499 -3.389 18027 11394 1 17 . 1 1 91 91 VAL H H 91 7.262 7.262 7.397 -0.136 18027 11395 1 17 . 1 1 92 92 PHE N N 92 112.495 112.495 117.992 -5.497 18027 11396 1 17 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.290 -0.356 18027 11397 1 17 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.599 -3.418 18027 11398 1 17 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.926 -0.507 18027 11399 1 17 . 1 1 92 92 PHE H H 92 6.693 6.693 7.408 -0.715 18027 11400 1 17 . 1 1 93 93 ASP N N 93 117.214 117.214 117.828 -0.614 18027 11401 1 17 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.725 -0.291 18027 11402 1 17 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.324 -2.543 18027 11403 1 17 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.592 -3.143 18027 11404 1 17 . 1 1 93 93 ASP H H 93 7.954 7.954 8.159 -0.205 18027 11405 1 17 . 1 1 94 94 LYS N N 94 125.565 125.565 124.481 1.084 18027 11406 1 17 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.323 -0.544 18027 11407 1 17 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.407 -2.728 18027 11408 1 17 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.514 -2.919 18027 11409 1 17 . 1 1 94 94 LYS H H 94 7.671 7.671 8.262 -0.591 18027 11410 1 17 . 1 1 95 95 ASP N N 95 114.041 114.041 116.692 -2.651 18027 11411 1 17 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.762 -0.354 18027 11412 1 17 . 1 1 95 95 ASP CA C 95 50.213 50.213 54.003 -3.790 18027 11413 1 17 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.230 -4.667 18027 11414 1 17 . 1 1 95 95 ASP H H 95 7.944 7.944 7.861 0.083 18027 11415 1 17 . 1 1 96 96 GLY N N 96 108.849 108.849 108.778 0.071 18027 11416 1 17 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.919 -1.720 18027 11417 1 17 . 1 1 96 96 GLY H H 96 7.529 7.529 7.586 -0.057 18027 11418 1 17 . 1 1 97 97 ASN N N 97 119.410 119.410 120.338 -0.928 18027 11419 1 17 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.569 -0.145 18027 11420 1 17 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.204 -3.521 18027 11421 1 17 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.808 -2.245 18027 11422 1 17 . 1 1 97 97 ASN H H 97 8.234 8.234 8.505 -0.271 18027 11423 1 17 . 1 1 98 98 GLY N N 98 112.073 112.073 106.521 5.552 18027 11424 1 17 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.790 -3.614 18027 11425 1 17 . 1 1 98 98 GLY H H 98 10.298 10.298 7.981 2.317 18027 11426 1 17 . 1 1 99 99 TYR N N 99 116.011 116.011 115.667 0.344 18027 11427 1 17 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.143 -0.325 18027 11428 1 17 . 1 1 99 99 TYR CA C 99 53.681 53.681 54.515 -0.834 18027 11429 1 17 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.706 -0.831 18027 11430 1 17 . 1 1 99 99 TYR H H 99 7.497 7.497 7.098 0.399 18027 11431 1 17 . 1 1 100 100 ILE N N 100 126.793 126.793 122.062 4.731 18027 11432 1 17 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.159 0.264 18027 11433 1 17 . 1 1 100 100 ILE CA C 100 58.629 58.629 61.046 -2.417 18027 11434 1 17 . 1 1 100 100 ILE CB C 100 35.748 35.748 37.415 -1.667 18027 11435 1 17 . 1 1 100 100 ILE H H 100 9.833 9.833 8.862 0.971 18027 11436 1 17 . 1 1 101 101 SER N N 101 123.825 123.825 123.971 -0.146 18027 11437 1 17 . 1 1 101 101 SER HA H 101 4.657 4.657 4.936 -0.279 18027 11438 1 17 . 1 1 101 101 SER CA C 101 53.060 53.060 57.668 -4.608 18027 11439 1 17 . 1 1 101 101 SER CB C 101 64.091 64.091 64.365 -0.274 18027 11440 1 17 . 1 1 101 101 SER H H 101 8.870 8.870 8.450 0.420 18027 11441 1 17 . 1 1 102 102 ALA N N 102 122.909 122.909 125.908 -2.999 18027 11442 1 17 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.058 -0.294 18027 11443 1 17 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.205 -2.155 18027 11444 1 17 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.353 -3.378 18027 11445 1 17 . 1 1 102 102 ALA H H 102 9.209 9.209 8.683 0.526 18027 11446 1 17 . 1 1 103 103 ALA N N 103 118.692 118.692 121.102 -2.410 18027 11447 1 17 . 1 1 103 103 ALA HA H 103 3.874 3.874 3.977 -0.103 18027 11448 1 17 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.836 -2.351 18027 11449 1 17 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.111 -2.908 18027 11450 1 17 . 1 1 103 103 ALA H H 103 8.146 8.146 8.461 -0.315 18027 11451 1 17 . 1 1 104 104 GLU N N 104 120.098 120.098 118.018 2.080 18027 11452 1 17 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.120 -0.257 18027 11453 1 17 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.743 -2.168 18027 11454 1 17 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.314 -3.945 18027 11455 1 17 . 1 1 104 104 GLU H H 104 7.832 7.832 8.102 -0.270 18027 11456 1 17 . 1 1 105 105 LEU N N 105 121.466 121.466 120.668 0.798 18027 11457 1 17 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.043 0.073 18027 11458 1 17 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.800 -2.104 18027 11459 1 17 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.966 -3.004 18027 11460 1 17 . 1 1 105 105 LEU H H 105 8.300 8.300 7.645 0.655 18027 11461 1 17 . 1 1 106 106 ARG N N 106 118.978 118.978 118.424 0.554 18027 11462 1 17 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.907 -0.055 18027 11463 1 17 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.761 -2.327 18027 11464 1 17 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.823 -2.739 18027 11465 1 17 . 1 1 106 106 ARG H H 106 8.882 8.882 7.750 1.132 18027 11466 1 17 . 1 1 107 107 HIS N N 107 118.543 118.543 118.816 -0.273 18027 11467 1 17 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.318 -0.118 18027 11468 1 17 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.834 -3.009 18027 11469 1 17 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.960 -3.220 18027 11470 1 17 . 1 1 107 107 HIS H H 107 7.991 7.991 7.723 0.268 18027 11471 1 17 . 1 1 108 108 VAL N N 108 118.687 118.687 117.259 1.428 18027 11472 1 17 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.755 -0.663 18027 11473 1 17 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.126 -1.916 18027 11474 1 17 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.630 -2.720 18027 11475 1 17 . 1 1 108 108 VAL H H 108 7.425 7.425 7.475 -0.050 18027 11476 1 17 . 1 1 109 109 MET N N 109 115.725 115.725 117.468 -1.743 18027 11477 1 17 . 1 1 109 109 MET HA H 109 3.944 3.944 4.316 -0.372 18027 11478 1 17 . 1 1 109 109 MET CA C 109 55.212 55.212 57.623 -2.411 18027 11479 1 17 . 1 1 109 109 MET CB C 109 27.425 27.425 32.042 -4.617 18027 11480 1 17 . 1 1 109 109 MET H H 109 7.972 7.972 7.662 0.310 18027 11481 1 17 . 1 1 110 110 THR N N 110 116.999 116.999 114.491 2.508 18027 11482 1 17 . 1 1 110 110 THR HA H 110 3.852 3.852 4.558 -0.706 18027 11483 1 17 . 1 1 110 110 THR CA C 110 63.918 63.918 64.813 -0.895 18027 11484 1 17 . 1 1 110 110 THR CB C 110 65.844 65.844 68.251 -2.406 18027 11485 1 17 . 1 1 110 110 THR H H 110 8.691 8.691 8.520 0.171 18027 11486 1 17 . 1 1 111 111 ASN N N 111 123.893 123.893 120.836 3.057 18027 11487 1 17 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.487 -0.246 18027 11488 1 17 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.014 -2.065 18027 11489 1 17 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.550 -3.586 18027 11490 1 17 . 1 1 111 111 ASN H H 111 7.911 7.911 7.904 0.007 18027 11491 1 17 . 1 1 112 112 LEU N N 112 119.244 119.244 118.265 0.979 18027 11492 1 17 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.252 -0.180 18027 11493 1 17 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.173 -2.272 18027 11494 1 17 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.340 -2.807 18027 11495 1 17 . 1 1 112 112 LEU H H 112 7.618 7.618 7.470 0.148 18027 11496 1 17 . 1 1 113 113 GLY N N 113 107.263 107.263 107.053 0.210 18027 11497 1 17 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.710 -2.273 18027 11498 1 17 . 1 1 113 113 GLY H H 113 7.743 7.743 7.354 0.389 18027 11499 1 17 . 1 1 114 114 GLU N N 114 120.073 120.073 118.895 1.178 18027 11500 1 17 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.574 -0.284 18027 11501 1 17 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.824 -3.298 18027 11502 1 17 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.939 -5.400 18027 11503 1 17 . 1 1 114 114 GLU H H 114 7.857 7.857 7.880 -0.023 18027 11504 1 17 . 1 1 115 115 LYS N N 115 124.142 124.142 124.019 0.123 18027 11505 1 17 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.530 -0.310 18027 11506 1 17 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.671 -2.777 18027 11507 1 17 . 1 1 115 115 LYS CB C 115 29.481 29.481 32.732 -3.251 18027 11508 1 17 . 1 1 115 115 LYS H H 115 8.377 8.377 8.515 -0.138 18027 11509 1 17 . 1 1 116 116 LEU N N 116 125.240 125.240 123.268 1.972 18027 11510 1 17 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.805 -0.333 18027 11511 1 17 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.052 -1.614 18027 11512 1 17 . 1 1 116 116 LEU CB C 116 40.675 40.675 43.533 -2.858 18027 11513 1 17 . 1 1 116 116 LEU H H 116 8.002 8.002 8.172 -0.170 18027 11514 1 17 . 1 1 117 117 THR N N 117 113.520 113.520 111.769 1.751 18027 11515 1 17 . 1 1 117 117 THR CA C 117 57.922 57.922 61.274 -3.352 18027 11516 1 17 . 1 1 117 117 THR CB C 117 68.352 68.352 69.897 -1.545 18027 11517 1 17 . 1 1 117 117 THR H H 117 8.927 8.927 8.397 0.530 18027 11518 1 17 . 1 1 118 118 ASP N N 118 120.859 120.859 120.603 0.256 18027 11519 1 17 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.389 -0.346 18027 11520 1 17 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.247 -2.082 18027 11521 1 17 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.883 -4.109 18027 11522 1 17 . 1 1 118 118 ASP H H 118 8.754 8.754 8.740 0.014 18027 11523 1 17 . 1 1 119 119 GLU N N 119 119.112 119.112 118.530 0.582 18027 11524 1 17 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.017 -0.090 18027 11525 1 17 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.208 -2.018 18027 11526 1 17 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.385 -3.102 18027 11527 1 17 . 1 1 119 119 GLU H H 119 8.507 8.507 8.866 -0.359 18027 11528 1 17 . 1 1 120 120 GLU N N 120 120.059 120.059 117.863 2.196 18027 11529 1 17 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.148 -0.290 18027 11530 1 17 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.371 -1.913 18027 11531 1 17 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.772 -2.255 18027 11532 1 17 . 1 1 120 120 GLU H H 120 7.809 7.809 7.627 0.182 18027 11533 1 17 . 1 1 121 121 VAL N N 121 120.512 120.512 119.244 1.268 18027 11534 1 17 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.786 -0.314 18027 11535 1 17 . 1 1 121 121 VAL CA C 121 64.082 64.082 65.910 -1.828 18027 11536 1 17 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.509 -2.942 18027 11537 1 17 . 1 1 121 121 VAL H H 121 7.898 7.898 7.379 0.519 18027 11538 1 17 . 1 1 122 122 ASP N N 122 119.857 119.857 120.085 -0.228 18027 11539 1 17 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.300 -0.132 18027 11540 1 17 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.956 -3.050 18027 11541 1 17 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.706 -3.229 18027 11542 1 17 . 1 1 122 122 ASP H H 122 7.897 7.897 8.132 -0.235 18027 11543 1 17 . 1 1 123 123 GLU N N 123 119.630 119.630 118.700 0.930 18027 11544 1 17 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.105 -0.267 18027 11545 1 17 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.604 -1.527 18027 11546 1 17 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.659 -3.490 18027 11547 1 17 . 1 1 123 123 GLU H H 123 7.963 7.963 7.681 0.282 18027 11548 1 17 . 1 1 124 124 MET N N 124 119.144 119.144 116.760 2.384 18027 11549 1 17 . 1 1 124 124 MET HA H 124 3.859 3.859 4.225 -0.366 18027 11550 1 17 . 1 1 124 124 MET CA C 124 56.508 56.508 58.838 -2.330 18027 11551 1 17 . 1 1 124 124 MET CB C 124 29.253 29.253 33.317 -4.064 18027 11552 1 17 . 1 1 124 124 MET H H 124 7.631 7.631 7.809 -0.178 18027 11553 1 17 . 1 1 125 125 ILE N N 125 117.557 117.557 119.562 -2.005 18027 11554 1 17 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.959 -0.675 18027 11555 1 17 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.353 -3.214 18027 11556 1 17 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.627 -3.576 18027 11557 1 17 . 1 1 125 125 ILE H H 125 7.669 7.669 7.443 0.226 18027 11558 1 17 . 1 1 126 126 ARG N N 126 118.414 118.414 119.827 -1.413 18027 11559 1 17 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.150 -0.292 18027 11560 1 17 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.773 -1.971 18027 11561 1 17 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.716 -2.292 18027 11562 1 17 . 1 1 126 126 ARG H H 126 7.952 7.952 7.564 0.388 18027 11563 1 17 . 1 1 127 127 GLU N N 127 116.143 116.143 118.141 -1.998 18027 11564 1 17 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.280 -0.422 18027 11565 1 17 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.116 -1.901 18027 11566 1 17 . 1 1 127 127 GLU CB C 127 27.197 27.197 29.980 -2.783 18027 11567 1 17 . 1 1 127 127 GLU H H 127 7.294 7.294 7.901 -0.607 18027 11568 1 17 . 1 1 128 128 ALA N N 128 116.994 116.994 120.379 -3.385 18027 11569 1 17 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.647 -0.194 18027 11570 1 17 . 1 1 128 128 ALA CA C 128 48.172 48.172 52.022 -3.850 18027 11571 1 17 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.701 -0.929 18027 11572 1 17 . 1 1 128 128 ALA H H 128 7.110 7.110 7.289 -0.179 18027 11573 1 17 . 1 1 129 129 ASP N N 129 117.846 117.846 121.122 -3.276 18027 11574 1 17 . 1 1 129 129 ASP HA H 129 4.442 4.442 5.120 -0.678 18027 11575 1 17 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.300 -2.667 18027 11576 1 17 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.803 -2.298 18027 11577 1 17 . 1 1 129 129 ASP H H 129 7.508 7.508 8.521 -1.013 18027 11578 1 17 . 1 1 130 130 ILE N N 130 128.118 128.118 121.313 6.805 18027 11579 1 17 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.048 -0.298 18027 11580 1 17 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.678 -3.095 18027 11581 1 17 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.158 -2.396 18027 11582 1 17 . 1 1 130 130 ILE H H 130 8.168 8.168 8.362 -0.194 18027 11583 1 17 . 1 1 131 131 ASP N N 131 116.572 116.572 120.351 -3.779 18027 11584 1 17 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.582 -0.286 18027 11585 1 17 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.710 -2.588 18027 11586 1 17 . 1 1 131 131 ASP CB C 131 37.477 37.477 41.206 -3.729 18027 11587 1 17 . 1 1 131 131 ASP H H 131 8.136 8.136 8.255 -0.119 18027 11588 1 17 . 1 1 132 132 GLY N N 132 108.411 108.411 109.123 -0.712 18027 11589 1 17 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.887 -1.380 18027 11590 1 17 . 1 1 132 132 GLY H H 132 7.460 7.460 8.397 -0.937 18027 11591 1 17 . 1 1 133 133 ASP N N 133 120.424 120.424 120.097 0.327 18027 11592 1 17 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.519 -0.223 18027 11593 1 17 . 1 1 133 133 ASP CA C 133 50.853 50.853 54.234 -3.381 18027 11594 1 17 . 1 1 133 133 ASP H H 133 8.177 8.177 8.105 0.072 18027 11595 1 17 . 1 1 134 134 GLY N N 134 112.396 112.396 106.320 6.076 18027 11596 1 17 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.502 -2.449 18027 11597 1 17 . 1 1 134 134 GLY H H 134 10.043 10.043 7.693 2.350 18027 11598 1 17 . 1 1 135 135 GLN N N 135 115.588 115.588 118.617 -3.029 18027 11599 1 17 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.152 -0.348 18027 11600 1 17 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.828 -3.413 18027 11601 1 17 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.103 -2.822 18027 11602 1 17 . 1 1 135 135 GLN H H 135 7.866 7.866 7.485 0.381 18027 11603 1 17 . 1 1 136 136 VAL N N 136 124.910 124.910 122.055 2.855 18027 11604 1 17 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.264 0.735 18027 11605 1 17 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.520 -1.813 18027 11606 1 17 . 1 1 136 136 VAL CB C 136 31.080 31.080 32.194 -1.114 18027 11607 1 17 . 1 1 136 136 VAL H H 136 8.856 8.856 8.628 0.228 18027 11608 1 17 . 1 1 137 137 ASN N N 137 129.009 129.009 125.115 3.894 18027 11609 1 17 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.193 -0.020 18027 11610 1 17 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.603 -3.520 18027 11611 1 17 . 1 1 137 137 ASN CB C 137 35.634 35.634 41.536 -5.902 18027 11612 1 17 . 1 1 137 137 ASN H H 137 9.390 9.390 8.693 0.697 18027 11613 1 17 . 1 1 138 138 TYR N N 138 118.471 118.471 120.709 -2.238 18027 11614 1 17 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.380 0.098 18027 11615 1 17 . 1 1 138 138 TYR CA C 138 59.799 59.799 61.163 -1.364 18027 11616 1 17 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.493 -1.958 18027 11617 1 17 . 1 1 138 138 TYR H H 138 8.075 8.075 8.640 -0.565 18027 11618 1 17 . 1 1 139 139 GLU N N 139 118.535 118.535 119.133 -0.598 18027 11619 1 17 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.118 -0.280 18027 11620 1 17 . 1 1 139 139 GLU CA C 139 57.532 57.532 58.864 -1.332 18027 11621 1 17 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.478 -2.538 18027 11622 1 17 . 1 1 139 139 GLU H H 139 7.925 7.925 8.120 -0.195 18027 11623 1 17 . 1 1 140 140 GLU N N 140 119.583 119.583 120.062 -0.479 18027 11624 1 17 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.179 -0.330 18027 11625 1 17 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.760 -2.678 18027 11626 1 17 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.418 -2.907 18027 11627 1 17 . 1 1 140 140 GLU H H 140 8.664 8.664 8.487 0.177 18027 11628 1 17 . 1 1 141 141 PHE N N 141 123.810 123.810 120.537 3.273 18027 11629 1 17 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.218 -0.497 18027 11630 1 17 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.442 -2.350 18027 11631 1 17 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.462 -1.757 18027 11632 1 17 . 1 1 141 141 PHE H H 141 8.395 8.395 8.493 -0.098 18027 11633 1 17 . 1 1 142 142 VAL N N 142 118.551 118.551 118.817 -0.266 18027 11634 1 17 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.743 -0.651 18027 11635 1 17 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.162 -1.980 18027 11636 1 17 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.458 -2.662 18027 11637 1 17 . 1 1 142 142 VAL H H 142 8.484 8.484 8.073 0.411 18027 11638 1 17 . 1 1 143 143 GLN N N 143 119.672 119.672 118.171 1.501 18027 11639 1 17 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.126 -0.288 18027 11640 1 17 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.032 -1.758 18027 11641 1 17 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.681 -3.769 18027 11642 1 17 . 1 1 143 143 GLN H H 143 7.803 7.803 7.547 0.256 18027 11643 1 17 . 1 1 144 144 MET N N 144 116.710 116.710 117.709 -0.999 18027 11644 1 17 . 1 1 144 144 MET HA H 144 3.943 3.943 4.151 -0.208 18027 11645 1 17 . 1 1 144 144 MET CA C 144 55.387 55.387 57.939 -2.552 18027 11646 1 17 . 1 1 144 144 MET CB C 144 29.709 29.709 32.243 -2.534 18027 11647 1 17 . 1 1 144 144 MET H H 144 7.322 7.322 7.561 -0.239 18027 11648 1 17 . 1 1 145 145 MET N N 145 114.879 114.879 117.183 -2.304 18027 11649 1 17 . 1 1 145 145 MET HA H 145 4.062 4.062 4.304 -0.242 18027 11650 1 17 . 1 1 145 145 MET CA C 145 53.291 53.291 58.325 -5.034 18027 11651 1 17 . 1 1 145 145 MET CB C 145 29.253 29.253 32.969 -3.716 18027 11652 1 17 . 1 1 145 145 MET H H 145 7.467 7.467 7.649 -0.182 18027 11653 1 17 . 1 1 146 146 THR N N 146 108.698 108.698 109.037 -0.339 18027 11654 1 17 . 1 1 146 146 THR HA H 146 4.136 4.136 4.380 -0.244 18027 11655 1 17 . 1 1 146 146 THR CA C 146 59.201 59.201 61.787 -2.586 18027 11656 1 17 . 1 1 146 146 THR CB C 146 67.404 67.404 68.749 -1.345 18027 11657 1 17 . 1 1 146 146 THR H H 146 7.551 7.551 7.450 0.101 18027 11658 1 17 . 1 1 147 147 ALA N N 147 126.669 126.669 124.494 2.175 18027 11659 1 17 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.414 -0.269 18027 11660 1 17 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.663 -1.590 18027 11661 1 17 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.241 -2.897 18027 11662 1 17 . 1 1 147 147 ALA H H 147 7.596 7.596 7.537 0.059 18027 11663 1 18 . 1 1 2 2 ASP N N 2 120.442 120.442 120.660 -0.218 18027 11664 1 18 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.846 -0.393 18027 11665 1 18 . 1 1 2 2 ASP CA C 2 51.929 51.929 53.759 -1.830 18027 11666 1 18 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.972 -3.467 18027 11667 1 18 . 1 1 2 2 ASP H H 2 8.521 8.521 8.376 0.145 18027 11668 1 18 . 1 1 3 3 GLN N N 3 119.769 119.769 119.798 -0.029 18027 11669 1 18 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.564 -0.346 18027 11670 1 18 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.329 -2.643 18027 11671 1 18 . 1 1 3 3 GLN H H 3 8.199 8.199 8.422 -0.223 18027 11672 1 18 . 1 1 4 4 LEU N N 4 120.939 120.939 124.465 -3.526 18027 11673 1 18 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.536 -0.053 18027 11674 1 18 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.450 -2.866 18027 11675 1 18 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.186 -2.625 18027 11676 1 18 . 1 1 4 4 LEU H H 4 7.510 7.510 8.408 -0.898 18027 11677 1 18 . 1 1 5 5 THR N N 5 112.777 112.777 113.545 -0.768 18027 11678 1 18 . 1 1 5 5 THR HA H 5 4.253 4.253 4.443 -0.190 18027 11679 1 18 . 1 1 5 5 THR CA C 5 57.873 57.873 61.710 -3.837 18027 11680 1 18 . 1 1 5 5 THR CB C 5 68.203 68.203 69.837 -1.634 18027 11681 1 18 . 1 1 5 5 THR H H 5 8.576 8.576 8.181 0.395 18027 11682 1 18 . 1 1 6 6 GLU N N 6 120.254 120.254 120.598 -0.344 18027 11683 1 18 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.147 -0.353 18027 11684 1 18 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.050 -1.405 18027 11685 1 18 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.383 -3.097 18027 11686 1 18 . 1 1 6 6 GLU H H 6 8.874 8.874 8.737 0.137 18027 11687 1 18 . 1 1 7 7 GLU N N 7 119.637 119.637 118.798 0.839 18027 11688 1 18 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.223 -0.327 18027 11689 1 18 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.086 -1.910 18027 11690 1 18 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.218 -3.164 18027 11691 1 18 . 1 1 7 7 GLU H H 7 8.536 8.536 8.514 0.022 18027 11692 1 18 . 1 1 8 8 GLN N N 8 120.086 120.086 119.361 0.725 18027 11693 1 18 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.243 -0.405 18027 11694 1 18 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.121 -1.710 18027 11695 1 18 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.245 -2.620 18027 11696 1 18 . 1 1 8 8 GLN H H 8 7.499 7.499 7.802 -0.303 18027 11697 1 18 . 1 1 9 9 ILE N N 9 120.295 120.295 119.754 0.541 18027 11698 1 18 . 1 1 9 9 ILE HA H 9 3.667 3.667 4.007 -0.340 18027 11699 1 18 . 1 1 9 9 ILE CA C 9 64.046 64.046 65.166 -1.120 18027 11700 1 18 . 1 1 9 9 ILE H H 9 8.405 8.405 8.882 -0.477 18027 11701 1 18 . 1 1 10 10 ALA N N 10 121.503 121.503 120.599 0.904 18027 11702 1 18 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.182 -0.271 18027 11703 1 18 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.142 -2.485 18027 11704 1 18 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.163 -3.188 18027 11705 1 18 . 1 1 10 10 ALA H H 10 7.949 7.949 7.820 0.129 18027 11706 1 18 . 1 1 11 11 GLU N N 11 118.352 118.352 119.408 -1.056 18027 11707 1 18 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.141 -0.303 18027 11708 1 18 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.695 -2.022 18027 11709 1 18 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.595 -2.627 18027 11710 1 18 . 1 1 11 11 GLU H H 11 7.700 7.700 7.710 -0.010 18027 11711 1 18 . 1 1 12 12 PHE N N 12 117.277 117.277 119.850 -2.573 18027 11712 1 18 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.342 0.135 18027 11713 1 18 . 1 1 12 12 PHE CA C 12 59.655 59.655 62.178 -2.523 18027 11714 1 18 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.074 -3.539 18027 11715 1 18 . 1 1 12 12 PHE H H 12 8.211 8.211 8.012 0.199 18027 11716 1 18 . 1 1 13 13 LYS N N 13 122.928 122.928 119.870 3.058 18027 11717 1 18 . 1 1 13 13 LYS HA H 13 3.925 3.925 4.016 -0.091 18027 11718 1 18 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.547 -2.393 18027 11719 1 18 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.083 -5.914 18027 11720 1 18 . 1 1 13 13 LYS H H 13 8.925 8.925 8.315 0.610 18027 11721 1 18 . 1 1 14 14 GLU N N 14 119.706 119.706 117.952 1.754 18027 11722 1 18 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.197 -0.339 18027 11723 1 18 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.923 -2.587 18027 11724 1 18 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.915 -3.632 18027 11725 1 18 . 1 1 14 14 GLU H H 14 7.824 7.824 7.757 0.067 18027 11726 1 18 . 1 1 15 15 ALA N N 15 123.880 123.880 122.358 1.522 18027 11727 1 18 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.329 -0.462 18027 11728 1 18 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.383 -1.548 18027 11729 1 18 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.679 -3.476 18027 11730 1 18 . 1 1 15 15 ALA H H 15 8.124 8.124 8.237 -0.113 18027 11731 1 18 . 1 1 16 16 PHE N N 16 118.972 118.972 118.228 0.744 18027 11732 1 18 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.238 -1.106 18027 11733 1 18 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.790 -0.807 18027 11734 1 18 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.550 -3.101 18027 11735 1 18 . 1 1 16 16 PHE H H 16 8.446 8.446 8.230 0.216 18027 11736 1 18 . 1 1 17 17 SER N N 17 114.737 114.737 115.077 -0.340 18027 11737 1 18 . 1 1 17 17 SER HA H 17 3.902 3.902 4.465 -0.563 18027 11738 1 18 . 1 1 17 17 SER CA C 17 58.999 58.999 60.653 -1.653 18027 11739 1 18 . 1 1 17 17 SER CB C 17 60.436 60.436 63.426 -2.990 18027 11740 1 18 . 1 1 17 17 SER H H 17 7.874 7.874 7.743 0.131 18027 11741 1 18 . 1 1 18 18 LEU N N 18 120.225 120.225 120.232 -0.007 18027 11742 1 18 . 1 1 18 18 LEU HA H 18 3.785 3.785 3.991 -0.206 18027 11743 1 18 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.256 -2.527 18027 11744 1 18 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.080 -3.918 18027 11745 1 18 . 1 1 18 18 LEU H H 18 7.183 7.183 7.383 -0.200 18027 11746 1 18 . 1 1 19 19 PHE N N 19 112.357 112.357 111.682 0.675 18027 11747 1 18 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.953 -2.529 18027 11748 1 18 . 1 1 19 19 PHE H H 19 6.977 6.977 7.692 -0.715 18027 11749 1 18 . 1 1 20 20 ASP N N 20 117.274 117.274 119.413 -2.139 18027 11750 1 18 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.874 -0.442 18027 11751 1 18 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.714 -3.202 18027 11752 1 18 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.693 -4.016 18027 11753 1 18 . 1 1 20 20 ASP H H 20 7.446 7.446 7.755 -0.309 18027 11754 1 18 . 1 1 21 21 LYS N N 21 124.296 124.296 124.081 0.215 18027 11755 1 18 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.285 -0.447 18027 11756 1 18 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.365 -1.686 18027 11757 1 18 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.105 -2.510 18027 11758 1 18 . 1 1 21 21 LYS H H 21 7.520 7.520 8.103 -0.583 18027 11759 1 18 . 1 1 22 22 ASP N N 22 113.761 113.761 118.744 -4.983 18027 11760 1 18 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.676 -0.242 18027 11761 1 18 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.595 -4.534 18027 11762 1 18 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.781 -5.218 18027 11763 1 18 . 1 1 22 22 ASP H H 22 7.819 7.819 7.787 0.032 18027 11764 1 18 . 1 1 23 23 GLY N N 23 108.838 108.838 106.954 1.884 18027 11765 1 18 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.538 -1.233 18027 11766 1 18 . 1 1 23 23 GLY H H 23 7.497 7.497 8.311 -0.814 18027 11767 1 18 . 1 1 24 24 ASP N N 24 120.790 120.790 120.685 0.105 18027 11768 1 18 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.706 -0.356 18027 11769 1 18 . 1 1 24 24 ASP CA C 24 50.853 50.853 53.575 -2.721 18027 11770 1 18 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.830 -4.467 18027 11771 1 18 . 1 1 24 24 ASP H H 24 8.312 8.312 8.246 0.066 18027 11772 1 18 . 1 1 25 25 GLY N N 25 112.499 112.499 109.333 3.166 18027 11773 1 18 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.274 -2.854 18027 11774 1 18 . 1 1 25 25 GLY H H 25 10.352 10.352 8.807 1.545 18027 11775 1 18 . 1 1 26 26 THR N N 26 111.781 111.781 109.875 1.906 18027 11776 1 18 . 1 1 26 26 THR HA H 26 5.316 5.316 5.757 -0.441 18027 11777 1 18 . 1 1 26 26 THR CA C 26 56.878 56.878 59.655 -2.777 18027 11778 1 18 . 1 1 26 26 THR CB C 26 70.031 70.031 72.634 -2.603 18027 11779 1 18 . 1 1 26 26 THR H H 26 8.018 8.018 8.154 -0.136 18027 11780 1 18 . 1 1 27 27 ILE N N 27 126.162 126.162 124.574 1.588 18027 11781 1 18 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.516 0.142 18027 11782 1 18 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.245 -1.768 18027 11783 1 18 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.615 -2.043 18027 11784 1 18 . 1 1 27 27 ILE H H 27 9.769 9.769 8.524 1.245 18027 11785 1 18 . 1 1 28 28 THR N N 28 116.311 116.311 122.939 -6.628 18027 11786 1 18 . 1 1 28 28 THR HA H 28 4.669 4.669 4.989 -0.320 18027 11787 1 18 . 1 1 28 28 THR CA C 28 56.878 56.878 61.934 -5.056 18027 11788 1 18 . 1 1 28 28 THR CB C 28 69.688 69.688 69.798 -0.110 18027 11789 1 18 . 1 1 28 28 THR H H 28 8.302 8.302 8.760 -0.458 18027 11790 1 18 . 1 1 29 29 THR N N 29 112.465 112.465 116.113 -3.648 18027 11791 1 18 . 1 1 29 29 THR HA H 29 3.633 3.633 3.947 -0.314 18027 11792 1 18 . 1 1 29 29 THR CA C 29 63.820 63.820 66.449 -2.629 18027 11793 1 18 . 1 1 29 29 THR CB C 29 65.160 65.160 68.514 -3.354 18027 11794 1 18 . 1 1 29 29 THR H H 29 9.078 9.078 8.840 0.238 18027 11795 1 18 . 1 1 30 30 LYS N N 30 120.792 120.792 121.230 -0.438 18027 11796 1 18 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.150 -0.195 18027 11797 1 18 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.296 -2.727 18027 11798 1 18 . 1 1 30 30 LYS CB C 30 29.595 29.595 32.073 -2.478 18027 11799 1 18 . 1 1 30 30 LYS H H 30 7.467 7.467 8.492 -1.025 18027 11800 1 18 . 1 1 31 31 GLU N N 31 121.359 121.359 119.506 1.853 18027 11801 1 18 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.145 -0.239 18027 11802 1 18 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.989 -2.312 18027 11803 1 18 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.367 -2.285 18027 11804 1 18 . 1 1 31 31 GLU H H 31 7.574 7.574 7.630 -0.056 18027 11805 1 18 . 1 1 32 32 LEU N N 32 120.087 120.087 121.145 -1.058 18027 11806 1 18 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.334 -0.277 18027 11807 1 18 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.759 -2.187 18027 11808 1 18 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.103 -2.251 18027 11809 1 18 . 1 1 32 32 LEU H H 32 8.712 8.712 8.012 0.700 18027 11810 1 18 . 1 1 33 33 GLY N N 33 105.634 105.634 105.063 0.571 18027 11811 1 18 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.184 -1.547 18027 11812 1 18 . 1 1 33 33 GLY H H 33 8.696 8.696 7.779 0.917 18027 11813 1 18 . 1 1 34 34 THR N N 34 117.265 117.265 118.458 -1.193 18027 11814 1 18 . 1 1 34 34 THR HA H 34 3.810 3.810 3.970 -0.160 18027 11815 1 18 . 1 1 34 34 THR CA C 34 64.259 64.259 66.353 -2.094 18027 11816 1 18 . 1 1 34 34 THR CB C 34 66.033 66.033 68.681 -2.648 18027 11817 1 18 . 1 1 34 34 THR H H 34 7.785 7.785 7.566 0.219 18027 11818 1 18 . 1 1 35 35 VAL N N 35 121.498 121.498 120.443 1.055 18027 11819 1 18 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.789 -0.388 18027 11820 1 18 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.278 -0.969 18027 11821 1 18 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.373 -2.578 18027 11822 1 18 . 1 1 35 35 VAL H H 35 7.268 7.268 7.400 -0.132 18027 11823 1 18 . 1 1 36 36 MET N N 36 117.302 117.302 118.509 -1.207 18027 11824 1 18 . 1 1 36 36 MET HA H 36 3.842 3.842 4.251 -0.409 18027 11825 1 18 . 1 1 36 36 MET CA C 36 56.606 56.606 58.392 -1.786 18027 11826 1 18 . 1 1 36 36 MET CB C 36 28.453 28.453 32.669 -4.216 18027 11827 1 18 . 1 1 36 36 MET H H 36 8.487 8.487 7.636 0.851 18027 11828 1 18 . 1 1 37 37 ARG N N 37 118.262 118.262 118.409 -0.147 18027 11829 1 18 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.422 0.235 18027 11830 1 18 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.563 -2.083 18027 11831 1 18 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.266 -3.526 18027 11832 1 18 . 1 1 37 37 ARG H H 37 8.330 8.330 7.925 0.405 18027 11833 1 18 . 1 1 38 38 SER N N 38 117.873 117.873 113.155 4.718 18027 11834 1 18 . 1 1 38 38 SER H H 38 7.815 7.815 7.707 0.108 18027 11835 1 18 . 1 1 39 39 LEU N N 39 117.970 117.970 119.452 -1.482 18027 11836 1 18 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.327 -0.255 18027 11837 1 18 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.153 -3.715 18027 11838 1 18 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.351 -4.189 18027 11839 1 18 . 1 1 39 39 LEU H H 39 7.326 7.326 7.060 0.266 18027 11840 1 18 . 1 1 40 40 GLY N N 40 106.755 106.755 105.909 0.846 18027 11841 1 18 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.802 -2.138 18027 11842 1 18 . 1 1 40 40 GLY H H 40 7.636 7.636 7.787 -0.151 18027 11843 1 18 . 1 1 41 41 GLN N N 41 118.316 118.316 119.214 -0.898 18027 11844 1 18 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.584 -0.299 18027 11845 1 18 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.342 -3.489 18027 11846 1 18 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.927 -4.616 18027 11847 1 18 . 1 1 41 41 GLN H H 41 7.827 7.827 7.627 0.200 18027 11848 1 18 . 1 1 42 42 ASN N N 42 115.866 115.866 122.343 -6.477 18027 11849 1 18 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.052 -0.039 18027 11850 1 18 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.428 -2.866 18027 11851 1 18 . 1 1 42 42 ASN CB C 42 36.318 36.318 38.839 -2.521 18027 11852 1 18 . 1 1 42 42 ASN H H 42 8.557 8.557 8.642 -0.085 18027 11853 1 18 . 1 1 44 44 THR N N 44 113.035 113.035 113.656 -0.621 18027 11854 1 18 . 1 1 44 44 THR HA H 44 4.296 4.296 4.629 -0.333 18027 11855 1 18 . 1 1 44 44 THR CA C 44 57.922 57.922 59.199 -1.276 18027 11856 1 18 . 1 1 44 44 THR CB C 44 68.317 68.317 71.903 -3.586 18027 11857 1 18 . 1 1 44 44 THR H H 44 8.694 8.694 7.857 0.837 18027 11858 1 18 . 1 1 45 45 GLU N N 45 120.283 120.283 121.477 -1.194 18027 11859 1 18 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.038 -0.142 18027 11860 1 18 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.446 -2.090 18027 11861 1 18 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.201 -3.485 18027 11862 1 18 . 1 1 45 45 GLU H H 45 8.687 8.687 8.960 -0.273 18027 11863 1 18 . 1 1 46 46 ALA N N 46 120.685 120.685 120.694 -0.009 18027 11864 1 18 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.184 -0.314 18027 11865 1 18 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.797 -2.481 18027 11866 1 18 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.444 -3.355 18027 11867 1 18 . 1 1 46 46 ALA H H 46 8.153 8.153 8.231 -0.078 18027 11868 1 18 . 1 1 47 47 GLU N N 47 118.546 118.546 119.386 -0.840 18027 11869 1 18 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.115 -0.256 18027 11870 1 18 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.526 -2.018 18027 11871 1 18 . 1 1 47 47 GLU CB C 47 26.740 26.740 28.951 -2.211 18027 11872 1 18 . 1 1 47 47 GLU H H 47 7.554 7.554 7.653 -0.099 18027 11873 1 18 . 1 1 48 48 LEU N N 48 120.085 120.085 121.475 -1.390 18027 11874 1 18 . 1 1 48 48 LEU HA H 48 3.940 3.940 3.999 -0.059 18027 11875 1 18 . 1 1 48 48 LEU CA C 48 55.368 55.368 59.188 -3.820 18027 11876 1 18 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.928 -2.509 18027 11877 1 18 . 1 1 48 48 LEU H H 48 8.247 8.247 8.100 0.147 18027 11878 1 18 . 1 1 49 49 GLN N N 49 118.119 118.119 116.361 1.758 18027 11879 1 18 . 1 1 49 49 GLN HA H 49 3.913 3.913 3.993 -0.080 18027 11880 1 18 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.858 -2.155 18027 11881 1 18 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.516 -2.119 18027 11882 1 18 . 1 1 49 49 GLN H H 49 7.891 7.891 7.709 0.182 18027 11883 1 18 . 1 1 50 50 ASP N N 50 119.263 119.263 121.072 -1.809 18027 11884 1 18 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.448 -0.269 18027 11885 1 18 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.833 -1.957 18027 11886 1 18 . 1 1 50 50 ASP CB C 50 37.248 37.248 41.041 -3.793 18027 11887 1 18 . 1 1 50 50 ASP H H 50 7.803 7.803 7.556 0.247 18027 11888 1 18 . 1 1 51 51 MET N N 51 120.178 120.178 117.400 2.778 18027 11889 1 18 . 1 1 51 51 MET HA H 51 3.966 3.966 4.180 -0.214 18027 11890 1 18 . 1 1 51 51 MET CA C 51 57.074 57.074 58.793 -1.719 18027 11891 1 18 . 1 1 51 51 MET CB C 51 29.975 29.975 33.269 -3.294 18027 11892 1 18 . 1 1 51 51 MET H H 51 7.831 7.831 8.053 -0.222 18027 11893 1 18 . 1 1 52 52 ILE N N 52 116.856 116.856 120.292 -3.436 18027 11894 1 18 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.728 -0.380 18027 11895 1 18 . 1 1 52 52 ILE CA C 52 61.675 61.675 63.778 -2.103 18027 11896 1 18 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.568 -3.746 18027 11897 1 18 . 1 1 52 52 ILE H H 52 7.703 7.703 7.652 0.051 18027 11898 1 18 . 1 1 53 53 ASN N N 53 117.417 117.417 114.804 2.613 18027 11899 1 18 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.495 -0.242 18027 11900 1 18 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.653 -2.612 18027 11901 1 18 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.313 -3.235 18027 11902 1 18 . 1 1 53 53 ASN H H 53 8.187 8.187 7.949 0.238 18027 11903 1 18 . 1 1 54 54 GLU N N 54 116.996 116.996 118.302 -1.306 18027 11904 1 18 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.216 -0.357 18027 11905 1 18 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.398 -2.524 18027 11906 1 18 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.409 -4.012 18027 11907 1 18 . 1 1 54 54 GLU H H 54 7.391 7.391 7.468 -0.077 18027 11908 1 18 . 1 1 55 55 VAL N N 55 114.596 114.596 114.178 0.418 18027 11909 1 18 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.149 -0.162 18027 11910 1 18 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.617 -3.671 18027 11911 1 18 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.688 -1.950 18027 11912 1 18 . 1 1 55 55 VAL H H 55 7.151 7.151 7.517 -0.366 18027 11913 1 18 . 1 1 56 56 ASP N N 56 119.670 119.670 122.490 -2.820 18027 11914 1 18 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.513 -0.196 18027 11915 1 18 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.653 -4.297 18027 11916 1 18 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.072 -3.481 18027 11917 1 18 . 1 1 56 56 ASP H H 56 7.913 7.913 8.287 -0.374 18027 11918 1 18 . 1 1 57 57 ALA N N 57 131.491 131.491 128.870 2.621 18027 11919 1 18 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.164 -0.063 18027 11920 1 18 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.721 -2.538 18027 11921 1 18 . 1 1 57 57 ALA H H 57 8.126 8.126 8.719 -0.593 18027 11922 1 18 . 1 1 58 58 ASP N N 58 114.255 114.255 117.898 -3.643 18027 11923 1 18 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.660 -0.226 18027 11924 1 18 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.697 -4.737 18027 11925 1 18 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.453 -4.889 18027 11926 1 18 . 1 1 58 58 ASP H H 58 8.130 8.130 8.277 -0.147 18027 11927 1 18 . 1 1 59 59 GLY N N 59 108.987 108.987 107.239 1.748 18027 11928 1 18 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.354 -1.058 18027 11929 1 18 . 1 1 59 59 GLY H H 59 7.504 7.504 8.612 -1.108 18027 11930 1 18 . 1 1 60 60 ASN N N 60 118.770 118.770 118.554 0.216 18027 11931 1 18 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.846 -0.417 18027 11932 1 18 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.916 -3.057 18027 11933 1 18 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.416 -5.909 18027 11934 1 18 . 1 1 60 60 ASN H H 60 8.095 8.095 8.655 -0.560 18027 11935 1 18 . 1 1 61 61 GLY N N 61 112.773 112.773 110.205 2.568 18027 11936 1 18 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.472 -2.760 18027 11937 1 18 . 1 1 61 61 GLY H H 61 10.280 10.280 9.034 1.246 18027 11938 1 18 . 1 1 62 62 THR N N 62 108.117 108.117 111.040 -2.923 18027 11939 1 18 . 1 1 62 62 THR HA H 62 4.672 4.672 4.922 -0.250 18027 11940 1 18 . 1 1 62 62 THR CA C 62 56.878 56.878 60.103 -3.225 18027 11941 1 18 . 1 1 62 62 THR CB C 62 69.688 69.688 71.697 -2.009 18027 11942 1 18 . 1 1 62 62 THR H H 62 7.475 7.475 7.738 -0.263 18027 11943 1 18 . 1 1 63 63 ILE N N 63 122.642 122.642 122.217 0.425 18027 11944 1 18 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.397 0.399 18027 11945 1 18 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.030 -2.218 18027 11946 1 18 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.121 -3.758 18027 11947 1 18 . 1 1 63 63 ILE H H 63 8.449 8.449 8.251 0.198 18027 11948 1 18 . 1 1 64 64 ASP N N 64 128.633 128.633 126.289 2.344 18027 11949 1 18 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.296 0.020 18027 11950 1 18 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.195 -3.915 18027 11951 1 18 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.571 -3.810 18027 11952 1 18 . 1 1 64 64 ASP H H 64 9.011 9.011 8.460 0.551 18027 11953 1 18 . 1 1 65 65 PHE N N 65 118.892 118.892 120.502 -1.610 18027 11954 1 18 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.395 -0.628 18027 11955 1 18 . 1 1 65 65 PHE CA C 65 60.213 60.213 62.245 -2.032 18027 11956 1 18 . 1 1 65 65 PHE H H 65 8.766 8.766 8.678 0.088 18027 11957 1 18 . 1 1 67 67 GLU N N 67 118.675 118.675 114.872 3.803 18027 11958 1 18 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.222 -0.385 18027 11959 1 18 . 1 1 67 67 GLU CA C 67 56.605 56.605 56.985 -0.380 18027 11960 1 18 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.354 -1.957 18027 11961 1 18 . 1 1 67 67 GLU H H 67 7.487 7.487 8.723 -1.236 18027 11962 1 18 . 1 1 68 68 PHE N N 68 123.182 123.182 122.023 1.159 18027 11963 1 18 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.120 -0.452 18027 11964 1 18 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.769 -3.340 18027 11965 1 18 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.294 -1.703 18027 11966 1 18 . 1 1 68 68 PHE H H 68 8.066 8.066 7.527 0.539 18027 11967 1 18 . 1 1 69 69 LEU N N 69 119.530 119.530 114.173 5.357 18027 11968 1 18 . 1 1 69 69 LEU HA H 69 3.955 3.955 3.929 0.026 18027 11969 1 18 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.455 -1.681 18027 11970 1 18 . 1 1 69 69 LEU CB C 69 39.419 39.419 40.026 -0.607 18027 11971 1 18 . 1 1 69 69 LEU H H 69 8.672 8.672 7.624 1.048 18027 11972 1 18 . 1 1 70 70 THR N N 70 113.765 113.765 116.082 -2.317 18027 11973 1 18 . 1 1 70 70 THR HA H 70 3.806 3.806 3.917 -0.111 18027 11974 1 18 . 1 1 70 70 THR CA C 70 63.861 63.861 66.241 -2.380 18027 11975 1 18 . 1 1 70 70 THR CB C 70 66.147 66.147 68.524 -2.377 18027 11976 1 18 . 1 1 70 70 THR H H 70 7.909 7.909 7.465 0.444 18027 11977 1 18 . 1 1 71 71 MET N N 71 119.518 119.518 119.271 0.247 18027 11978 1 18 . 1 1 71 71 MET HA H 71 3.881 3.881 4.160 -0.279 18027 11979 1 18 . 1 1 71 71 MET CA C 71 56.106 56.106 56.474 -0.368 18027 11980 1 18 . 1 1 71 71 MET CB C 71 29.595 29.595 32.452 -2.857 18027 11981 1 18 . 1 1 71 71 MET H H 71 7.120 7.120 7.335 -0.215 18027 11982 1 18 . 1 1 72 72 MET N N 72 116.280 116.280 117.884 -1.604 18027 11983 1 18 . 1 1 72 72 MET HA H 72 3.817 3.817 4.080 -0.263 18027 11984 1 18 . 1 1 72 72 MET CA C 72 55.111 55.111 58.678 -3.567 18027 11985 1 18 . 1 1 72 72 MET CB C 72 27.892 27.892 32.758 -4.866 18027 11986 1 18 . 1 1 72 72 MET H H 72 7.737 7.737 7.425 0.312 18027 11987 1 18 . 1 1 73 73 ALA N N 73 119.984 119.984 117.469 2.515 18027 11988 1 18 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.154 -0.316 18027 11989 1 18 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.560 -1.748 18027 11990 1 18 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.375 -3.172 18027 11991 1 18 . 1 1 73 73 ALA H H 73 8.322 8.322 7.498 0.824 18027 11992 1 18 . 1 1 74 74 ARG N N 74 116.354 116.354 118.813 -2.459 18027 11993 1 18 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.144 -0.306 18027 11994 1 18 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.840 -2.883 18027 11995 1 18 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.514 -5.259 18027 11996 1 18 . 1 1 74 74 ARG H H 74 7.264 7.264 7.387 -0.123 18027 11997 1 18 . 1 1 75 75 LYS N N 75 120.084 120.084 118.599 1.485 18027 11998 1 18 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.501 -0.553 18027 11999 1 18 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.483 -2.624 18027 12000 1 18 . 1 1 75 75 LYS CB C 75 28.681 28.681 31.837 -3.156 18027 12001 1 18 . 1 1 75 75 LYS H H 75 7.756 7.756 7.916 -0.160 18027 12002 1 18 . 1 1 76 76 MET N N 76 117.139 117.139 118.442 -1.303 18027 12003 1 18 . 1 1 76 76 MET HA H 76 4.168 4.168 4.317 -0.149 18027 12004 1 18 . 1 1 76 76 MET CA C 76 54.704 54.704 56.540 -1.836 18027 12005 1 18 . 1 1 76 76 MET CB C 76 30.052 30.052 32.763 -2.711 18027 12006 1 18 . 1 1 76 76 MET H H 76 7.985 7.985 7.658 0.327 18027 12007 1 18 . 1 1 77 77 LYS N N 77 116.614 116.614 115.978 0.636 18027 12008 1 18 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.468 -0.247 18027 12009 1 18 . 1 1 77 77 LYS CA C 77 53.184 53.184 55.997 -2.813 18027 12010 1 18 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.172 -5.889 18027 12011 1 18 . 1 1 77 77 LYS H H 77 7.275 7.275 7.387 -0.112 18027 12012 1 18 . 1 1 78 78 ASP N N 78 123.187 123.187 120.696 2.491 18027 12013 1 18 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.740 -0.289 18027 12014 1 18 . 1 1 78 78 ASP CA C 78 51.732 51.732 55.489 -3.756 18027 12015 1 18 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.507 -3.116 18027 12016 1 18 . 1 1 78 78 ASP H H 78 8.181 8.181 7.851 0.330 18027 12017 1 18 . 1 1 79 79 THR N N 79 114.325 114.325 111.490 2.835 18027 12018 1 18 . 1 1 79 79 THR HA H 79 4.034 4.034 3.936 0.098 18027 12019 1 18 . 1 1 79 79 THR CA C 79 61.322 61.322 64.575 -3.253 18027 12020 1 18 . 1 1 79 79 THR CB C 79 66.147 66.147 66.740 -0.593 18027 12021 1 18 . 1 1 79 79 THR H H 79 8.377 8.377 8.363 0.014 18027 12022 1 18 . 1 1 80 80 ASP N N 80 120.844 120.844 119.508 1.336 18027 12023 1 18 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.799 -0.494 18027 12024 1 18 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.848 -3.176 18027 12025 1 18 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.794 -3.203 18027 12026 1 18 . 1 1 80 80 ASP H H 80 8.223 8.223 8.664 -0.441 18027 12027 1 18 . 1 1 81 81 SER N N 81 115.729 115.729 114.679 1.050 18027 12028 1 18 . 1 1 81 81 SER HA H 81 3.911 3.911 4.425 -0.514 18027 12029 1 18 . 1 1 81 81 SER CA C 81 57.939 57.939 60.121 -2.182 18027 12030 1 18 . 1 1 81 81 SER CB C 81 60.664 60.664 62.943 -2.279 18027 12031 1 18 . 1 1 81 81 SER H H 81 7.785 7.785 8.371 -0.586 18027 12032 1 18 . 1 1 82 82 GLU N N 82 121.960 121.960 122.118 -0.158 18027 12033 1 18 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.207 -0.311 18027 12034 1 18 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.705 -1.876 18027 12035 1 18 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.490 -2.865 18027 12036 1 18 . 1 1 82 82 GLU H H 82 8.208 8.208 8.374 -0.166 18027 12037 1 18 . 1 1 83 83 GLU N N 83 118.040 118.040 116.973 1.067 18027 12038 1 18 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.179 -0.341 18027 12039 1 18 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.460 -2.515 18027 12040 1 18 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.241 -2.409 18027 12041 1 18 . 1 1 83 83 GLU H H 83 7.898 7.898 7.787 0.111 18027 12042 1 18 . 1 1 84 84 GLU N N 84 118.825 118.825 119.864 -1.039 18027 12043 1 18 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.649 -3.891 18027 12044 1 18 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.888 0.964 18027 12045 1 18 . 1 1 84 84 GLU H H 84 8.154 8.154 7.740 0.414 18027 12046 1 18 . 1 1 85 85 ILE N N 85 119.310 119.310 119.038 0.272 18027 12047 1 18 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.829 -0.062 18027 12048 1 18 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.352 -4.494 18027 12049 1 18 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.568 -1.919 18027 12050 1 18 . 1 1 85 85 ILE H H 85 7.793 7.793 7.495 0.298 18027 12051 1 18 . 1 1 86 86 ARG N N 86 120.640 120.640 120.469 0.171 18027 12052 1 18 . 1 1 86 86 ARG HA H 86 3.925 3.925 4.118 -0.193 18027 12053 1 18 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.758 -2.494 18027 12054 1 18 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.428 -2.574 18027 12055 1 18 . 1 1 86 86 ARG H H 86 8.177 8.177 7.725 0.452 18027 12056 1 18 . 1 1 87 87 GLU N N 87 119.448 119.448 119.544 -0.096 18027 12057 1 18 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.264 -0.412 18027 12058 1 18 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.892 -2.249 18027 12059 1 18 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.130 -3.076 18027 12060 1 18 . 1 1 87 87 GLU H H 87 7.828 7.828 8.206 -0.378 18027 12061 1 18 . 1 1 88 88 ALA N N 88 122.592 122.592 122.049 0.543 18027 12062 1 18 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.333 -0.305 18027 12063 1 18 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.472 -1.876 18027 12064 1 18 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.458 -3.826 18027 12065 1 18 . 1 1 88 88 ALA H H 88 8.283 8.283 7.566 0.717 18027 12066 1 18 . 1 1 89 89 PHE N N 89 119.245 119.245 119.317 -0.072 18027 12067 1 18 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.045 -0.931 18027 12068 1 18 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.975 -2.430 18027 12069 1 18 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.603 -3.268 18027 12070 1 18 . 1 1 89 89 PHE H H 89 8.423 8.423 8.026 0.397 18027 12071 1 18 . 1 1 90 90 ARG N N 90 117.455 117.455 118.615 -1.160 18027 12072 1 18 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.403 -0.554 18027 12073 1 18 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.979 -2.666 18027 12074 1 18 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.838 -2.641 18027 12075 1 18 . 1 1 90 90 ARG H H 90 7.840 7.840 7.851 -0.011 18027 12076 1 18 . 1 1 91 91 VAL N N 91 118.698 118.698 118.714 -0.016 18027 12077 1 18 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.830 -0.578 18027 12078 1 18 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.475 -1.141 18027 12079 1 18 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.158 -3.048 18027 12080 1 18 . 1 1 91 91 VAL H H 91 7.262 7.262 7.442 -0.180 18027 12081 1 18 . 1 1 92 92 PHE N N 92 112.495 112.495 118.190 -5.695 18027 12082 1 18 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.370 -0.436 18027 12083 1 18 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.635 -3.454 18027 12084 1 18 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.821 -0.402 18027 12085 1 18 . 1 1 92 92 PHE H H 92 6.693 6.693 7.619 -0.926 18027 12086 1 18 . 1 1 93 93 ASP N N 93 117.214 117.214 118.204 -0.990 18027 12087 1 18 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.709 -0.275 18027 12088 1 18 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.067 -2.286 18027 12089 1 18 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.386 -2.938 18027 12090 1 18 . 1 1 93 93 ASP H H 93 7.954 7.954 8.002 -0.048 18027 12091 1 18 . 1 1 94 94 LYS N N 94 125.565 125.565 124.620 0.945 18027 12092 1 18 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.339 -0.560 18027 12093 1 18 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.676 -2.997 18027 12094 1 18 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.565 -2.970 18027 12095 1 18 . 1 1 94 94 LYS H H 94 7.671 7.671 8.150 -0.479 18027 12096 1 18 . 1 1 95 95 ASP N N 95 114.041 114.041 116.400 -2.359 18027 12097 1 18 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.762 -0.354 18027 12098 1 18 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.807 -3.594 18027 12099 1 18 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.121 -4.558 18027 12100 1 18 . 1 1 95 95 ASP H H 95 7.944 7.944 8.013 -0.069 18027 12101 1 18 . 1 1 96 96 GLY N N 96 108.849 108.849 107.492 1.357 18027 12102 1 18 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.889 -1.690 18027 12103 1 18 . 1 1 96 96 GLY H H 96 7.529 7.529 8.004 -0.475 18027 12104 1 18 . 1 1 97 97 ASN N N 97 119.410 119.410 119.169 0.241 18027 12105 1 18 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.644 -0.220 18027 12106 1 18 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.525 -3.842 18027 12107 1 18 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.837 -2.274 18027 12108 1 18 . 1 1 97 97 ASN H H 97 8.234 8.234 8.385 -0.151 18027 12109 1 18 . 1 1 98 98 GLY N N 98 112.073 112.073 106.543 5.530 18027 12110 1 18 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.971 -3.795 18027 12111 1 18 . 1 1 98 98 GLY H H 98 10.298 10.298 8.190 2.108 18027 12112 1 18 . 1 1 99 99 TYR N N 99 116.011 116.011 118.101 -2.090 18027 12113 1 18 . 1 1 99 99 TYR HA H 99 4.818 4.818 4.886 -0.068 18027 12114 1 18 . 1 1 99 99 TYR CA C 99 53.681 53.681 56.515 -2.834 18027 12115 1 18 . 1 1 99 99 TYR CB C 99 39.875 39.875 42.345 -2.470 18027 12116 1 18 . 1 1 99 99 TYR H H 99 7.497 7.497 7.589 -0.092 18027 12117 1 18 . 1 1 100 100 ILE N N 100 126.793 126.793 121.567 5.226 18027 12118 1 18 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.250 0.173 18027 12119 1 18 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.717 -2.088 18027 12120 1 18 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.471 -2.723 18027 12121 1 18 . 1 1 100 100 ILE H H 100 9.833 9.833 8.707 1.126 18027 12122 1 18 . 1 1 101 101 SER N N 101 123.825 123.825 123.640 0.185 18027 12123 1 18 . 1 1 101 101 SER HA H 101 4.657 4.657 4.601 0.056 18027 12124 1 18 . 1 1 101 101 SER CA C 101 53.060 53.060 57.756 -4.696 18027 12125 1 18 . 1 1 101 101 SER CB C 101 64.091 64.091 64.645 -0.554 18027 12126 1 18 . 1 1 101 101 SER H H 101 8.870 8.870 8.610 0.260 18027 12127 1 18 . 1 1 102 102 ALA N N 102 122.909 122.909 128.026 -5.117 18027 12128 1 18 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.113 -0.349 18027 12129 1 18 . 1 1 102 102 ALA CA C 102 53.050 53.050 54.702 -1.652 18027 12130 1 18 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.683 -3.708 18027 12131 1 18 . 1 1 102 102 ALA H H 102 9.209 9.209 9.051 0.158 18027 12132 1 18 . 1 1 103 103 ALA N N 103 118.692 118.692 120.290 -1.598 18027 12133 1 18 . 1 1 103 103 ALA HA H 103 3.874 3.874 3.987 -0.113 18027 12134 1 18 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.940 -2.455 18027 12135 1 18 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.440 -3.237 18027 12136 1 18 . 1 1 103 103 ALA H H 103 8.146 8.146 7.890 0.256 18027 12137 1 18 . 1 1 104 104 GLU N N 104 120.098 120.098 118.701 1.397 18027 12138 1 18 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.396 -0.533 18027 12139 1 18 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.834 -2.259 18027 12140 1 18 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.573 -4.204 18027 12141 1 18 . 1 1 104 104 GLU H H 104 7.832 7.832 8.004 -0.172 18027 12142 1 18 . 1 1 105 105 LEU N N 105 121.466 121.466 120.779 0.687 18027 12143 1 18 . 1 1 105 105 LEU HA H 105 4.116 4.116 3.999 0.117 18027 12144 1 18 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.774 -2.078 18027 12145 1 18 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.957 -2.995 18027 12146 1 18 . 1 1 105 105 LEU H H 105 8.300 8.300 7.452 0.848 18027 12147 1 18 . 1 1 106 106 ARG N N 106 118.978 118.978 118.684 0.294 18027 12148 1 18 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.935 -0.083 18027 12149 1 18 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.181 -1.746 18027 12150 1 18 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.566 -2.482 18027 12151 1 18 . 1 1 106 106 ARG H H 106 8.882 8.882 7.759 1.123 18027 12152 1 18 . 1 1 107 107 HIS N N 107 118.543 118.543 118.538 0.005 18027 12153 1 18 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.288 -0.088 18027 12154 1 18 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.743 -2.918 18027 12155 1 18 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.395 -2.655 18027 12156 1 18 . 1 1 107 107 HIS H H 107 7.991 7.991 7.635 0.356 18027 12157 1 18 . 1 1 108 108 VAL N N 108 118.687 118.687 118.492 0.195 18027 12158 1 18 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.745 -0.653 18027 12159 1 18 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.121 -1.911 18027 12160 1 18 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.574 -2.664 18027 12161 1 18 . 1 1 108 108 VAL H H 108 7.425 7.425 7.438 -0.013 18027 12162 1 18 . 1 1 109 109 MET N N 109 115.725 115.725 117.918 -2.193 18027 12163 1 18 . 1 1 109 109 MET HA H 109 3.944 3.944 4.285 -0.341 18027 12164 1 18 . 1 1 109 109 MET CA C 109 55.212 55.212 57.721 -2.509 18027 12165 1 18 . 1 1 109 109 MET CB C 109 27.425 27.425 32.115 -4.690 18027 12166 1 18 . 1 1 109 109 MET H H 109 7.972 7.972 7.664 0.308 18027 12167 1 18 . 1 1 110 110 THR N N 110 116.999 116.999 115.266 1.733 18027 12168 1 18 . 1 1 110 110 THR HA H 110 3.852 3.852 4.482 -0.630 18027 12169 1 18 . 1 1 110 110 THR CA C 110 63.918 63.918 64.687 -0.769 18027 12170 1 18 . 1 1 110 110 THR CB C 110 65.844 65.844 68.633 -2.789 18027 12171 1 18 . 1 1 110 110 THR H H 110 8.691 8.691 8.566 0.125 18027 12172 1 18 . 1 1 111 111 ASN N N 111 123.893 123.893 120.820 3.073 18027 12173 1 18 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.612 -0.371 18027 12174 1 18 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.536 -2.587 18027 12175 1 18 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.445 -3.481 18027 12176 1 18 . 1 1 111 111 ASN H H 111 7.911 7.911 8.017 -0.106 18027 12177 1 18 . 1 1 112 112 LEU N N 112 119.244 119.244 117.398 1.846 18027 12178 1 18 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.235 -0.163 18027 12179 1 18 . 1 1 112 112 LEU CA C 112 52.901 52.901 54.845 -1.944 18027 12180 1 18 . 1 1 112 112 LEU CB C 112 39.533 39.533 41.915 -2.382 18027 12181 1 18 . 1 1 112 112 LEU H H 112 7.618 7.618 7.800 -0.182 18027 12182 1 18 . 1 1 113 113 GLY N N 113 107.263 107.263 106.508 0.755 18027 12183 1 18 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.885 -2.448 18027 12184 1 18 . 1 1 113 113 GLY H H 113 7.743 7.743 7.435 0.308 18027 12185 1 18 . 1 1 114 114 GLU N N 114 120.073 120.073 118.973 1.100 18027 12186 1 18 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.585 -0.295 18027 12187 1 18 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.906 -3.380 18027 12188 1 18 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.716 -5.177 18027 12189 1 18 . 1 1 114 114 GLU H H 114 7.857 7.857 7.768 0.089 18027 12190 1 18 . 1 1 115 115 LYS N N 115 124.142 124.142 124.012 0.130 18027 12191 1 18 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.524 -0.304 18027 12192 1 18 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.664 -2.770 18027 12193 1 18 . 1 1 115 115 LYS CB C 115 29.481 29.481 32.628 -3.147 18027 12194 1 18 . 1 1 115 115 LYS H H 115 8.377 8.377 8.521 -0.144 18027 12195 1 18 . 1 1 116 116 LEU N N 116 125.240 125.240 123.011 2.229 18027 12196 1 18 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.809 -0.337 18027 12197 1 18 . 1 1 116 116 LEU CA C 116 51.438 51.438 52.976 -1.538 18027 12198 1 18 . 1 1 116 116 LEU CB C 116 40.675 40.675 43.835 -3.160 18027 12199 1 18 . 1 1 116 116 LEU H H 116 8.002 8.002 8.159 -0.157 18027 12200 1 18 . 1 1 117 117 THR N N 117 113.520 113.520 111.671 1.849 18027 12201 1 18 . 1 1 117 117 THR CA C 117 57.922 57.922 61.250 -3.328 18027 12202 1 18 . 1 1 117 117 THR CB C 117 68.352 68.352 69.937 -1.585 18027 12203 1 18 . 1 1 117 117 THR H H 117 8.927 8.927 8.397 0.530 18027 12204 1 18 . 1 1 118 118 ASP N N 118 120.859 120.859 121.123 -0.264 18027 12205 1 18 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.400 -0.357 18027 12206 1 18 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.038 -1.873 18027 12207 1 18 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.849 -4.075 18027 12208 1 18 . 1 1 118 118 ASP H H 118 8.754 8.754 8.781 -0.027 18027 12209 1 18 . 1 1 119 119 GLU N N 119 119.112 119.112 118.365 0.747 18027 12210 1 18 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.015 -0.088 18027 12211 1 18 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.077 -1.887 18027 12212 1 18 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.370 -3.087 18027 12213 1 18 . 1 1 119 119 GLU H H 119 8.507 8.507 8.818 -0.311 18027 12214 1 18 . 1 1 120 120 GLU N N 120 120.059 120.059 117.997 2.062 18027 12215 1 18 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.150 -0.292 18027 12216 1 18 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.361 -1.902 18027 12217 1 18 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.866 -2.349 18027 12218 1 18 . 1 1 120 120 GLU H H 120 7.809 7.809 7.626 0.183 18027 12219 1 18 . 1 1 121 121 VAL N N 121 120.512 120.512 119.519 0.993 18027 12220 1 18 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.742 -0.270 18027 12221 1 18 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.108 -2.026 18027 12222 1 18 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.736 -3.169 18027 12223 1 18 . 1 1 121 121 VAL H H 121 7.898 7.898 7.220 0.678 18027 12224 1 18 . 1 1 122 122 ASP N N 122 119.857 119.857 119.956 -0.099 18027 12225 1 18 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.319 -0.151 18027 12226 1 18 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.815 -2.909 18027 12227 1 18 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.850 -3.373 18027 12228 1 18 . 1 1 122 122 ASP H H 122 7.897 7.897 7.892 0.005 18027 12229 1 18 . 1 1 123 123 GLU N N 123 119.630 119.630 118.071 1.559 18027 12230 1 18 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.084 -0.246 18027 12231 1 18 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.695 -1.618 18027 12232 1 18 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.556 -3.387 18027 12233 1 18 . 1 1 123 123 GLU H H 123 7.963 7.963 7.639 0.324 18027 12234 1 18 . 1 1 124 124 MET N N 124 119.144 119.144 117.049 2.095 18027 12235 1 18 . 1 1 124 124 MET HA H 124 3.859 3.859 4.212 -0.353 18027 12236 1 18 . 1 1 124 124 MET CA C 124 56.508 56.508 58.776 -2.268 18027 12237 1 18 . 1 1 124 124 MET CB C 124 29.253 29.253 33.334 -4.080 18027 12238 1 18 . 1 1 124 124 MET H H 124 7.631 7.631 7.757 -0.126 18027 12239 1 18 . 1 1 125 125 ILE N N 125 117.557 117.557 119.373 -1.816 18027 12240 1 18 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.964 -0.680 18027 12241 1 18 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.183 -3.045 18027 12242 1 18 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.644 -3.594 18027 12243 1 18 . 1 1 125 125 ILE H H 125 7.669 7.669 7.450 0.219 18027 12244 1 18 . 1 1 126 126 ARG N N 126 118.414 118.414 119.817 -1.403 18027 12245 1 18 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.157 -0.299 18027 12246 1 18 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.756 -1.954 18027 12247 1 18 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.735 -2.310 18027 12248 1 18 . 1 1 126 126 ARG H H 126 7.952 7.952 7.524 0.428 18027 12249 1 18 . 1 1 127 127 GLU N N 127 116.143 116.143 117.819 -1.676 18027 12250 1 18 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.286 -0.428 18027 12251 1 18 . 1 1 127 127 GLU CA C 127 56.215 56.215 57.956 -1.741 18027 12252 1 18 . 1 1 127 127 GLU CB C 127 27.197 27.197 29.941 -2.744 18027 12253 1 18 . 1 1 127 127 GLU H H 127 7.294 7.294 7.997 -0.703 18027 12254 1 18 . 1 1 128 128 ALA N N 128 116.994 116.994 119.893 -2.899 18027 12255 1 18 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.387 0.066 18027 12256 1 18 . 1 1 128 128 ALA CA C 128 48.172 48.172 52.148 -3.976 18027 12257 1 18 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.656 -0.884 18027 12258 1 18 . 1 1 128 128 ALA H H 128 7.110 7.110 7.255 -0.145 18027 12259 1 18 . 1 1 129 129 ASP N N 129 117.846 117.846 121.421 -3.575 18027 12260 1 18 . 1 1 129 129 ASP HA H 129 4.442 4.442 5.131 -0.689 18027 12261 1 18 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.465 -2.832 18027 12262 1 18 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.825 -2.320 18027 12263 1 18 . 1 1 129 129 ASP H H 129 7.508 7.508 8.578 -1.070 18027 12264 1 18 . 1 1 130 130 ILE N N 130 128.118 128.118 121.574 6.544 18027 12265 1 18 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.030 -0.280 18027 12266 1 18 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.755 -3.172 18027 12267 1 18 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.075 -2.312 18027 12268 1 18 . 1 1 130 130 ILE H H 130 8.168 8.168 8.403 -0.235 18027 12269 1 18 . 1 1 131 131 ASP N N 131 116.572 116.572 118.764 -2.192 18027 12270 1 18 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.613 -0.317 18027 12271 1 18 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.409 -2.287 18027 12272 1 18 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.483 -3.006 18027 12273 1 18 . 1 1 131 131 ASP H H 131 8.136 8.136 8.166 -0.030 18027 12274 1 18 . 1 1 132 132 GLY N N 132 108.411 108.411 108.954 -0.543 18027 12275 1 18 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.101 -1.594 18027 12276 1 18 . 1 1 132 132 GLY H H 132 7.460 7.460 8.192 -0.732 18027 12277 1 18 . 1 1 133 133 ASP N N 133 120.424 120.424 119.532 0.892 18027 12278 1 18 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.451 -0.155 18027 12279 1 18 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.560 -2.707 18027 12280 1 18 . 1 1 133 133 ASP H H 133 8.177 8.177 8.103 0.074 18027 12281 1 18 . 1 1 134 134 GLY N N 134 112.396 112.396 109.145 3.251 18027 12282 1 18 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.223 -2.170 18027 12283 1 18 . 1 1 134 134 GLY H H 134 10.043 10.043 8.067 1.976 18027 12284 1 18 . 1 1 135 135 GLN N N 135 115.588 115.588 118.316 -2.728 18027 12285 1 18 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.249 -0.445 18027 12286 1 18 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.726 -3.311 18027 12287 1 18 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.403 -3.122 18027 12288 1 18 . 1 1 135 135 GLN H H 135 7.866 7.866 7.788 0.078 18027 12289 1 18 . 1 1 136 136 VAL N N 136 124.910 124.910 120.635 4.275 18027 12290 1 18 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.525 0.474 18027 12291 1 18 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.589 -1.882 18027 12292 1 18 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.059 -1.980 18027 12293 1 18 . 1 1 136 136 VAL H H 136 8.856 8.856 8.807 0.049 18027 12294 1 18 . 1 1 137 137 ASN N N 137 129.009 129.009 123.831 5.178 18027 12295 1 18 . 1 1 137 137 ASN HA H 137 5.173 5.173 4.843 0.330 18027 12296 1 18 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.522 -3.439 18027 12297 1 18 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.157 -4.523 18027 12298 1 18 . 1 1 137 137 ASN H H 137 9.390 9.390 8.651 0.739 18027 12299 1 18 . 1 1 138 138 TYR N N 138 118.471 118.471 121.061 -2.590 18027 12300 1 18 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.305 0.173 18027 12301 1 18 . 1 1 138 138 TYR CA C 138 59.799 59.799 62.709 -2.910 18027 12302 1 18 . 1 1 138 138 TYR CB C 138 35.535 35.535 38.655 -3.120 18027 12303 1 18 . 1 1 138 138 TYR H H 138 8.075 8.075 8.944 -0.869 18027 12304 1 18 . 1 1 139 139 GLU N N 139 118.535 118.535 118.504 0.031 18027 12305 1 18 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.097 -0.259 18027 12306 1 18 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.748 -2.216 18027 12307 1 18 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.969 -3.029 18027 12308 1 18 . 1 1 139 139 GLU H H 139 7.925 7.925 8.594 -0.669 18027 12309 1 18 . 1 1 140 140 GLU N N 140 119.583 119.583 119.359 0.224 18027 12310 1 18 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.193 -0.344 18027 12311 1 18 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.717 -2.635 18027 12312 1 18 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.523 -3.012 18027 12313 1 18 . 1 1 140 140 GLU H H 140 8.664 8.664 8.613 0.051 18027 12314 1 18 . 1 1 141 141 PHE N N 141 123.810 123.810 119.066 4.744 18027 12315 1 18 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.213 -0.492 18027 12316 1 18 . 1 1 141 141 PHE CA C 141 59.092 59.092 60.977 -1.885 18027 12317 1 18 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.262 -1.557 18027 12318 1 18 . 1 1 141 141 PHE H H 141 8.395 8.395 8.025 0.370 18027 12319 1 18 . 1 1 142 142 VAL N N 142 118.551 118.551 118.250 0.301 18027 12320 1 18 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.667 -0.575 18027 12321 1 18 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.037 -1.855 18027 12322 1 18 . 1 1 142 142 VAL CB C 142 28.796 28.796 32.040 -3.244 18027 12323 1 18 . 1 1 142 142 VAL H H 142 8.484 8.484 7.920 0.564 18027 12324 1 18 . 1 1 143 143 GLN N N 143 119.672 119.672 119.079 0.593 18027 12325 1 18 . 1 1 143 143 GLN HA H 143 3.838 3.838 3.951 -0.113 18027 12326 1 18 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.627 -2.354 18027 12327 1 18 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.441 -3.529 18027 12328 1 18 . 1 1 143 143 GLN H H 143 7.803 7.803 7.589 0.214 18027 12329 1 18 . 1 1 144 144 MET N N 144 116.710 116.710 116.836 -0.126 18027 12330 1 18 . 1 1 144 144 MET HA H 144 3.943 3.943 4.042 -0.099 18027 12331 1 18 . 1 1 144 144 MET CA C 144 55.387 55.387 58.451 -3.064 18027 12332 1 18 . 1 1 144 144 MET CB C 144 29.709 29.709 32.450 -2.741 18027 12333 1 18 . 1 1 144 144 MET H H 144 7.322 7.322 7.557 -0.235 18027 12334 1 18 . 1 1 145 145 MET N N 145 114.879 114.879 113.796 1.083 18027 12335 1 18 . 1 1 145 145 MET HA H 145 4.062 4.062 4.415 -0.353 18027 12336 1 18 . 1 1 145 145 MET CA C 145 53.291 53.291 56.198 -2.907 18027 12337 1 18 . 1 1 145 145 MET CB C 145 29.253 29.253 32.777 -3.524 18027 12338 1 18 . 1 1 145 145 MET H H 145 7.467 7.467 7.374 0.093 18027 12339 1 18 . 1 1 146 146 THR N N 146 108.698 108.698 112.247 -3.549 18027 12340 1 18 . 1 1 146 146 THR HA H 146 4.136 4.136 4.391 -0.255 18027 12341 1 18 . 1 1 146 146 THR CA C 146 59.201 59.201 61.703 -2.502 18027 12342 1 18 . 1 1 146 146 THR CB C 146 67.404 67.404 69.740 -2.336 18027 12343 1 18 . 1 1 146 146 THR H H 146 7.551 7.551 7.370 0.181 18027 12344 1 18 . 1 1 147 147 ALA N N 147 126.669 126.669 124.694 1.975 18027 12345 1 18 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.558 -0.413 18027 12346 1 18 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.919 -1.846 18027 12347 1 18 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.965 -3.620 18027 12348 1 18 . 1 1 147 147 ALA H H 147 7.596 7.596 7.699 -0.103 18027 12349 1 19 . 1 1 2 2 ASP N N 2 120.442 120.442 120.868 -0.426 18027 12350 1 19 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.206 0.247 18027 12351 1 19 . 1 1 2 2 ASP CA C 2 51.929 51.929 56.556 -4.627 18027 12352 1 19 . 1 1 2 2 ASP CB C 2 38.505 38.505 40.257 -1.752 18027 12353 1 19 . 1 1 2 2 ASP H H 2 8.521 8.521 8.761 -0.240 18027 12354 1 19 . 1 1 3 3 GLN N N 3 119.769 119.769 118.615 1.154 18027 12355 1 19 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.552 -0.334 18027 12356 1 19 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.064 -2.378 18027 12357 1 19 . 1 1 3 3 GLN H H 3 8.199 8.199 8.215 -0.016 18027 12358 1 19 . 1 1 4 4 LEU N N 4 120.939 120.939 119.215 1.724 18027 12359 1 19 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.746 -0.263 18027 12360 1 19 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.683 -3.099 18027 12361 1 19 . 1 1 4 4 LEU CB C 4 40.561 40.561 41.989 -1.428 18027 12362 1 19 . 1 1 4 4 LEU H H 4 7.510 7.510 8.436 -0.926 18027 12363 1 19 . 1 1 5 5 THR N N 5 112.777 112.777 118.299 -5.522 18027 12364 1 19 . 1 1 5 5 THR HA H 5 4.253 4.253 4.539 -0.286 18027 12365 1 19 . 1 1 5 5 THR CA C 5 57.873 57.873 59.790 -1.917 18027 12366 1 19 . 1 1 5 5 THR CB C 5 68.203 68.203 70.365 -2.162 18027 12367 1 19 . 1 1 5 5 THR H H 5 8.576 8.576 8.309 0.267 18027 12368 1 19 . 1 1 6 6 GLU N N 6 120.254 120.254 119.877 0.377 18027 12369 1 19 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.099 -0.305 18027 12370 1 19 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.371 -1.726 18027 12371 1 19 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.579 -3.293 18027 12372 1 19 . 1 1 6 6 GLU H H 6 8.874 8.874 8.695 0.179 18027 12373 1 19 . 1 1 7 7 GLU N N 7 119.637 119.637 119.483 0.154 18027 12374 1 19 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.172 -0.276 18027 12375 1 19 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.972 -1.796 18027 12376 1 19 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.442 -3.388 18027 12377 1 19 . 1 1 7 7 GLU H H 7 8.536 8.536 8.459 0.077 18027 12378 1 19 . 1 1 8 8 GLN N N 8 120.086 120.086 118.657 1.429 18027 12379 1 19 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.232 -0.394 18027 12380 1 19 . 1 1 8 8 GLN CA C 8 56.411 56.411 57.955 -1.544 18027 12381 1 19 . 1 1 8 8 GLN CB C 8 26.625 26.625 28.855 -2.230 18027 12382 1 19 . 1 1 8 8 GLN H H 8 7.499 7.499 7.748 -0.249 18027 12383 1 19 . 1 1 9 9 ILE N N 9 120.295 120.295 119.798 0.497 18027 12384 1 19 . 1 1 9 9 ILE HA H 9 3.667 3.667 4.057 -0.390 18027 12385 1 19 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.701 -0.655 18027 12386 1 19 . 1 1 9 9 ILE H H 9 8.405 8.405 8.917 -0.512 18027 12387 1 19 . 1 1 10 10 ALA N N 10 121.503 121.503 121.728 -0.225 18027 12388 1 19 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.135 -0.224 18027 12389 1 19 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.144 -2.487 18027 12390 1 19 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.080 -3.105 18027 12391 1 19 . 1 1 10 10 ALA H H 10 7.949 7.949 7.542 0.407 18027 12392 1 19 . 1 1 11 11 GLU N N 11 118.352 118.352 118.704 -0.352 18027 12393 1 19 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.200 -0.362 18027 12394 1 19 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.922 -2.249 18027 12395 1 19 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.653 -2.685 18027 12396 1 19 . 1 1 11 11 GLU H H 11 7.700 7.700 7.971 -0.271 18027 12397 1 19 . 1 1 12 12 PHE N N 12 117.277 117.277 121.129 -3.852 18027 12398 1 19 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.345 0.132 18027 12399 1 19 . 1 1 12 12 PHE CA C 12 59.655 59.655 60.924 -1.269 18027 12400 1 19 . 1 1 12 12 PHE CB C 12 35.535 35.535 38.782 -3.247 18027 12401 1 19 . 1 1 12 12 PHE H H 12 8.211 8.211 7.902 0.309 18027 12402 1 19 . 1 1 13 13 LYS N N 13 122.928 122.928 119.482 3.446 18027 12403 1 19 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.183 0.742 18027 12404 1 19 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.048 -1.894 18027 12405 1 19 . 1 1 13 13 LYS CB C 13 26.169 26.169 31.812 -5.643 18027 12406 1 19 . 1 1 13 13 LYS H H 13 8.925 8.925 7.512 1.413 18027 12407 1 19 . 1 1 14 14 GLU N N 14 119.706 119.706 117.616 2.090 18027 12408 1 19 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.138 -0.280 18027 12409 1 19 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.575 -2.239 18027 12410 1 19 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.854 -3.571 18027 12411 1 19 . 1 1 14 14 GLU H H 14 7.824 7.824 7.607 0.217 18027 12412 1 19 . 1 1 15 15 ALA N N 15 123.880 123.880 122.450 1.430 18027 12413 1 19 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.334 -0.467 18027 12414 1 19 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.446 -1.611 18027 12415 1 19 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.774 -3.571 18027 12416 1 19 . 1 1 15 15 ALA H H 15 8.124 8.124 8.120 0.004 18027 12417 1 19 . 1 1 16 16 PHE N N 16 118.972 118.972 118.575 0.397 18027 12418 1 19 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.076 -0.944 18027 12419 1 19 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.460 -0.477 18027 12420 1 19 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.125 -2.676 18027 12421 1 19 . 1 1 16 16 PHE H H 16 8.446 8.446 8.515 -0.069 18027 12422 1 19 . 1 1 17 17 SER N N 17 114.737 114.737 113.856 0.881 18027 12423 1 19 . 1 1 17 17 SER HA H 17 3.902 3.902 4.210 -0.308 18027 12424 1 19 . 1 1 17 17 SER CA C 17 58.999 58.999 60.508 -1.509 18027 12425 1 19 . 1 1 17 17 SER CB C 17 60.436 60.436 62.895 -2.459 18027 12426 1 19 . 1 1 17 17 SER H H 17 7.874 7.874 7.723 0.151 18027 12427 1 19 . 1 1 18 18 LEU N N 18 120.225 120.225 119.823 0.402 18027 12428 1 19 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.019 -0.234 18027 12429 1 19 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.106 -2.377 18027 12430 1 19 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.031 -3.869 18027 12431 1 19 . 1 1 18 18 LEU H H 18 7.183 7.183 7.346 -0.163 18027 12432 1 19 . 1 1 19 19 PHE N N 19 112.357 112.357 113.904 -1.547 18027 12433 1 19 . 1 1 19 19 PHE CA C 19 56.424 56.424 59.207 -2.783 18027 12434 1 19 . 1 1 19 19 PHE H H 19 6.977 6.977 7.721 -0.744 18027 12435 1 19 . 1 1 20 20 ASP N N 20 117.274 117.274 120.053 -2.779 18027 12436 1 19 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.709 -0.277 18027 12437 1 19 . 1 1 20 20 ASP CA C 20 49.512 49.512 53.129 -3.617 18027 12438 1 19 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.014 -3.337 18027 12439 1 19 . 1 1 20 20 ASP H H 20 7.446 7.446 7.759 -0.313 18027 12440 1 19 . 1 1 21 21 LYS N N 21 124.296 124.296 121.290 3.006 18027 12441 1 19 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.215 -0.377 18027 12442 1 19 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.454 -1.775 18027 12443 1 19 . 1 1 21 21 LYS CB C 21 29.595 29.595 31.999 -2.404 18027 12444 1 19 . 1 1 21 21 LYS H H 21 7.520 7.520 7.858 -0.338 18027 12445 1 19 . 1 1 22 22 ASP N N 22 113.761 113.761 119.117 -5.356 18027 12446 1 19 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.649 -0.215 18027 12447 1 19 . 1 1 22 22 ASP CA C 22 50.061 50.061 55.070 -5.009 18027 12448 1 19 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.587 -5.024 18027 12449 1 19 . 1 1 22 22 ASP H H 22 7.819 7.819 7.887 -0.068 18027 12450 1 19 . 1 1 23 23 GLY N N 23 108.838 108.838 106.553 2.285 18027 12451 1 19 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.656 -1.351 18027 12452 1 19 . 1 1 23 23 GLY H H 23 7.497 7.497 8.563 -1.066 18027 12453 1 19 . 1 1 24 24 ASP N N 24 120.790 120.790 119.783 1.007 18027 12454 1 19 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.818 -0.468 18027 12455 1 19 . 1 1 24 24 ASP CA C 24 50.853 50.853 53.428 -2.575 18027 12456 1 19 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.407 -4.044 18027 12457 1 19 . 1 1 24 24 ASP H H 24 8.312 8.312 8.465 -0.153 18027 12458 1 19 . 1 1 25 25 GLY N N 25 112.499 112.499 109.365 3.134 18027 12459 1 19 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.358 -2.938 18027 12460 1 19 . 1 1 25 25 GLY H H 25 10.352 10.352 8.095 2.257 18027 12461 1 19 . 1 1 26 26 THR N N 26 111.781 111.781 111.059 0.722 18027 12462 1 19 . 1 1 26 26 THR HA H 26 5.316 5.316 5.451 -0.135 18027 12463 1 19 . 1 1 26 26 THR CA C 26 56.878 56.878 60.543 -3.665 18027 12464 1 19 . 1 1 26 26 THR CB C 26 70.031 70.031 72.249 -2.218 18027 12465 1 19 . 1 1 26 26 THR H H 26 8.018 8.018 8.677 -0.659 18027 12466 1 19 . 1 1 27 27 ILE N N 27 126.162 126.162 119.733 6.429 18027 12467 1 19 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.834 -0.176 18027 12468 1 19 . 1 1 27 27 ILE CA C 27 58.477 58.477 59.557 -1.080 18027 12469 1 19 . 1 1 27 27 ILE CB C 27 37.572 37.572 38.780 -1.208 18027 12470 1 19 . 1 1 27 27 ILE H H 27 9.769 9.769 8.604 1.165 18027 12471 1 19 . 1 1 28 28 THR N N 28 116.311 116.311 121.026 -4.715 18027 12472 1 19 . 1 1 28 28 THR HA H 28 4.669 4.669 4.652 0.017 18027 12473 1 19 . 1 1 28 28 THR CA C 28 56.878 56.878 62.059 -5.181 18027 12474 1 19 . 1 1 28 28 THR CB C 28 69.688 69.688 70.416 -0.728 18027 12475 1 19 . 1 1 28 28 THR H H 28 8.302 8.302 8.104 0.198 18027 12476 1 19 . 1 1 29 29 THR N N 29 112.465 112.465 114.957 -2.492 18027 12477 1 19 . 1 1 29 29 THR HA H 29 3.633 3.633 4.138 -0.505 18027 12478 1 19 . 1 1 29 29 THR CA C 29 63.820 63.820 66.367 -2.547 18027 12479 1 19 . 1 1 29 29 THR CB C 29 65.160 65.160 68.447 -3.287 18027 12480 1 19 . 1 1 29 29 THR H H 29 9.078 9.078 8.454 0.624 18027 12481 1 19 . 1 1 30 30 LYS N N 30 120.792 120.792 120.959 -0.167 18027 12482 1 19 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.147 -0.192 18027 12483 1 19 . 1 1 30 30 LYS CA C 30 56.569 56.569 59.424 -2.855 18027 12484 1 19 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.746 -2.151 18027 12485 1 19 . 1 1 30 30 LYS H H 30 7.467 7.467 7.817 -0.350 18027 12486 1 19 . 1 1 31 31 GLU N N 31 121.359 121.359 119.926 1.433 18027 12487 1 19 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.145 -0.239 18027 12488 1 19 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.823 -2.146 18027 12489 1 19 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.369 -2.287 18027 12490 1 19 . 1 1 31 31 GLU H H 31 7.574 7.574 8.110 -0.536 18027 12491 1 19 . 1 1 32 32 LEU N N 32 120.087 120.087 121.056 -0.969 18027 12492 1 19 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.376 -0.319 18027 12493 1 19 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.541 -1.969 18027 12494 1 19 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.231 -2.380 18027 12495 1 19 . 1 1 32 32 LEU H H 32 8.712 8.712 7.813 0.899 18027 12496 1 19 . 1 1 33 33 GLY N N 33 105.634 105.634 104.780 0.854 18027 12497 1 19 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.132 -1.495 18027 12498 1 19 . 1 1 33 33 GLY H H 33 8.696 8.696 7.921 0.775 18027 12499 1 19 . 1 1 34 34 THR N N 34 117.265 117.265 118.064 -0.799 18027 12500 1 19 . 1 1 34 34 THR HA H 34 3.810 3.810 3.979 -0.169 18027 12501 1 19 . 1 1 34 34 THR CA C 34 64.259 64.259 66.132 -1.873 18027 12502 1 19 . 1 1 34 34 THR CB C 34 66.033 66.033 68.685 -2.652 18027 12503 1 19 . 1 1 34 34 THR H H 34 7.785 7.785 7.434 0.351 18027 12504 1 19 . 1 1 35 35 VAL N N 35 121.498 121.498 120.750 0.748 18027 12505 1 19 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.751 -0.350 18027 12506 1 19 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.688 -1.380 18027 12507 1 19 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.408 -2.612 18027 12508 1 19 . 1 1 35 35 VAL H H 35 7.268 7.268 7.244 0.024 18027 12509 1 19 . 1 1 36 36 MET N N 36 117.302 117.302 118.194 -0.892 18027 12510 1 19 . 1 1 36 36 MET HA H 36 3.842 3.842 4.194 -0.352 18027 12511 1 19 . 1 1 36 36 MET CA C 36 56.606 56.606 57.519 -0.913 18027 12512 1 19 . 1 1 36 36 MET CB C 36 28.453 28.453 31.709 -3.256 18027 12513 1 19 . 1 1 36 36 MET H H 36 8.487 8.487 7.545 0.942 18027 12514 1 19 . 1 1 37 37 ARG N N 37 118.262 118.262 118.240 0.022 18027 12515 1 19 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.195 0.462 18027 12516 1 19 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.932 -2.452 18027 12517 1 19 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.128 -3.388 18027 12518 1 19 . 1 1 37 37 ARG H H 37 8.330 8.330 8.449 -0.119 18027 12519 1 19 . 1 1 38 38 SER N N 38 117.873 117.873 113.859 4.014 18027 12520 1 19 . 1 1 38 38 SER H H 38 7.815 7.815 7.581 0.234 18027 12521 1 19 . 1 1 39 39 LEU N N 39 117.970 117.970 119.276 -1.306 18027 12522 1 19 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.375 -0.303 18027 12523 1 19 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.218 -3.780 18027 12524 1 19 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.811 -4.649 18027 12525 1 19 . 1 1 39 39 LEU H H 39 7.326 7.326 7.196 0.130 18027 12526 1 19 . 1 1 40 40 GLY N N 40 106.755 106.755 105.723 1.032 18027 12527 1 19 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.768 -2.104 18027 12528 1 19 . 1 1 40 40 GLY H H 40 7.636 7.636 7.644 -0.008 18027 12529 1 19 . 1 1 41 41 GLN N N 41 118.316 118.316 120.394 -2.078 18027 12530 1 19 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.453 -0.168 18027 12531 1 19 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.531 -3.678 18027 12532 1 19 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.505 -4.194 18027 12533 1 19 . 1 1 41 41 GLN H H 41 7.827 7.827 8.322 -0.495 18027 12534 1 19 . 1 1 42 42 ASN N N 42 115.866 115.866 122.500 -6.634 18027 12535 1 19 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.079 -0.066 18027 12536 1 19 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.582 -3.020 18027 12537 1 19 . 1 1 42 42 ASN CB C 42 36.318 36.318 38.955 -2.637 18027 12538 1 19 . 1 1 42 42 ASN H H 42 8.557 8.557 8.607 -0.050 18027 12539 1 19 . 1 1 44 44 THR N N 44 113.035 113.035 113.950 -0.915 18027 12540 1 19 . 1 1 44 44 THR HA H 44 4.296 4.296 4.440 -0.144 18027 12541 1 19 . 1 1 44 44 THR CA C 44 57.922 57.922 60.506 -2.584 18027 12542 1 19 . 1 1 44 44 THR CB C 44 68.317 68.317 70.499 -2.182 18027 12543 1 19 . 1 1 44 44 THR H H 44 8.694 8.694 8.071 0.623 18027 12544 1 19 . 1 1 45 45 GLU N N 45 120.283 120.283 121.166 -0.883 18027 12545 1 19 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.089 -0.193 18027 12546 1 19 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.547 -2.192 18027 12547 1 19 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.462 -3.746 18027 12548 1 19 . 1 1 45 45 GLU H H 45 8.687 8.687 8.848 -0.161 18027 12549 1 19 . 1 1 46 46 ALA N N 46 120.685 120.685 121.916 -1.231 18027 12550 1 19 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.254 -0.384 18027 12551 1 19 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.544 -2.228 18027 12552 1 19 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.012 -2.923 18027 12553 1 19 . 1 1 46 46 ALA H H 46 8.153 8.153 8.246 -0.093 18027 12554 1 19 . 1 1 47 47 GLU N N 47 118.546 118.546 117.930 0.616 18027 12555 1 19 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.176 -0.317 18027 12556 1 19 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.861 -2.353 18027 12557 1 19 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.284 -2.544 18027 12558 1 19 . 1 1 47 47 GLU H H 47 7.554 7.554 8.382 -0.828 18027 12559 1 19 . 1 1 48 48 LEU N N 48 120.085 120.085 120.962 -0.877 18027 12560 1 19 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.155 -0.215 18027 12561 1 19 . 1 1 48 48 LEU CA C 48 55.368 55.368 58.155 -2.787 18027 12562 1 19 . 1 1 48 48 LEU CB C 48 39.419 39.419 42.157 -2.737 18027 12563 1 19 . 1 1 48 48 LEU H H 48 8.247 8.247 7.625 0.622 18027 12564 1 19 . 1 1 49 49 GLN N N 49 118.119 118.119 118.048 0.071 18027 12565 1 19 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.023 -0.110 18027 12566 1 19 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.483 -1.780 18027 12567 1 19 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.500 -2.103 18027 12568 1 19 . 1 1 49 49 GLN H H 49 7.891 7.891 7.740 0.151 18027 12569 1 19 . 1 1 50 50 ASP N N 50 119.263 119.263 120.782 -1.519 18027 12570 1 19 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.454 -0.275 18027 12571 1 19 . 1 1 50 50 ASP CA C 50 54.876 54.876 57.026 -2.150 18027 12572 1 19 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.942 -3.694 18027 12573 1 19 . 1 1 50 50 ASP H H 50 7.803 7.803 7.680 0.123 18027 12574 1 19 . 1 1 51 51 MET N N 51 120.178 120.178 117.149 3.029 18027 12575 1 19 . 1 1 51 51 MET HA H 51 3.966 3.966 4.110 -0.144 18027 12576 1 19 . 1 1 51 51 MET CA C 51 57.074 57.074 58.999 -1.925 18027 12577 1 19 . 1 1 51 51 MET CB C 51 29.975 29.975 33.091 -3.116 18027 12578 1 19 . 1 1 51 51 MET H H 51 7.831 7.831 7.353 0.478 18027 12579 1 19 . 1 1 52 52 ILE N N 52 116.856 116.856 120.449 -3.593 18027 12580 1 19 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.739 -0.391 18027 12581 1 19 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.201 -2.526 18027 12582 1 19 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.661 -3.839 18027 12583 1 19 . 1 1 52 52 ILE H H 52 7.703 7.703 7.644 0.059 18027 12584 1 19 . 1 1 53 53 ASN N N 53 117.417 117.417 114.878 2.539 18027 12585 1 19 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.493 -0.240 18027 12586 1 19 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.697 -2.655 18027 12587 1 19 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.247 -3.169 18027 12588 1 19 . 1 1 53 53 ASN H H 53 8.187 8.187 8.029 0.158 18027 12589 1 19 . 1 1 54 54 GLU N N 54 116.996 116.996 118.595 -1.599 18027 12590 1 19 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.246 -0.387 18027 12591 1 19 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.074 -2.200 18027 12592 1 19 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.412 -4.015 18027 12593 1 19 . 1 1 54 54 GLU H H 54 7.391 7.391 7.593 -0.202 18027 12594 1 19 . 1 1 55 55 VAL N N 55 114.596 114.596 115.199 -0.603 18027 12595 1 19 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.058 -0.071 18027 12596 1 19 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.968 -4.023 18027 12597 1 19 . 1 1 55 55 VAL CB C 55 30.738 30.738 33.071 -2.333 18027 12598 1 19 . 1 1 55 55 VAL H H 55 7.151 7.151 7.483 -0.332 18027 12599 1 19 . 1 1 56 56 ASP N N 56 119.670 119.670 122.048 -2.378 18027 12600 1 19 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.517 -0.200 18027 12601 1 19 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.372 -4.016 18027 12602 1 19 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.098 -3.507 18027 12603 1 19 . 1 1 56 56 ASP H H 56 7.913 7.913 8.256 -0.343 18027 12604 1 19 . 1 1 57 57 ALA N N 57 131.491 131.491 128.761 2.730 18027 12605 1 19 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.199 -0.098 18027 12606 1 19 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.515 -2.332 18027 12607 1 19 . 1 1 57 57 ALA H H 57 8.126 8.126 8.669 -0.543 18027 12608 1 19 . 1 1 58 58 ASP N N 58 114.255 114.255 119.243 -4.988 18027 12609 1 19 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.566 -0.132 18027 12610 1 19 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.744 -4.784 18027 12611 1 19 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.284 -4.721 18027 12612 1 19 . 1 1 58 58 ASP H H 58 8.130 8.130 8.331 -0.201 18027 12613 1 19 . 1 1 59 59 GLY N N 59 108.987 108.987 106.788 2.199 18027 12614 1 19 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.289 -0.993 18027 12615 1 19 . 1 1 59 59 GLY H H 59 7.504 7.504 8.905 -1.401 18027 12616 1 19 . 1 1 60 60 ASN N N 60 118.770 118.770 118.757 0.013 18027 12617 1 19 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.863 -0.434 18027 12618 1 19 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.099 -2.240 18027 12619 1 19 . 1 1 60 60 ASN CB C 60 34.507 34.507 39.847 -5.340 18027 12620 1 19 . 1 1 60 60 ASN H H 60 8.095 8.095 8.172 -0.077 18027 12621 1 19 . 1 1 61 61 GLY N N 61 112.773 112.773 108.648 4.125 18027 12622 1 19 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.243 -2.531 18027 12623 1 19 . 1 1 61 61 GLY H H 61 10.280 10.280 8.166 2.114 18027 12624 1 19 . 1 1 62 62 THR N N 62 108.117 108.117 110.606 -2.489 18027 12625 1 19 . 1 1 62 62 THR HA H 62 4.672 4.672 4.784 -0.112 18027 12626 1 19 . 1 1 62 62 THR CA C 62 56.878 56.878 60.537 -3.659 18027 12627 1 19 . 1 1 62 62 THR CB C 62 69.688 69.688 71.917 -2.229 18027 12628 1 19 . 1 1 62 62 THR H H 62 7.475 7.475 8.379 -0.904 18027 12629 1 19 . 1 1 63 63 ILE N N 63 122.642 122.642 124.403 -1.761 18027 12630 1 19 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.431 0.365 18027 12631 1 19 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.587 -2.775 18027 12632 1 19 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.161 -3.798 18027 12633 1 19 . 1 1 63 63 ILE H H 63 8.449 8.449 7.923 0.526 18027 12634 1 19 . 1 1 64 64 ASP N N 64 128.633 128.633 126.452 2.181 18027 12635 1 19 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.164 0.152 18027 12636 1 19 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.676 -4.396 18027 12637 1 19 . 1 1 64 64 ASP CB C 64 39.761 39.761 42.490 -2.729 18027 12638 1 19 . 1 1 64 64 ASP H H 64 9.011 9.011 8.537 0.474 18027 12639 1 19 . 1 1 65 65 PHE N N 65 118.892 118.892 116.295 2.597 18027 12640 1 19 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.293 -0.526 18027 12641 1 19 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.671 -0.458 18027 12642 1 19 . 1 1 65 65 PHE H H 65 8.766 8.766 8.375 0.391 18027 12643 1 19 . 1 1 67 67 GLU N N 67 118.675 118.675 114.758 3.917 18027 12644 1 19 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.286 -0.449 18027 12645 1 19 . 1 1 67 67 GLU CA C 67 56.605 56.605 56.647 -0.042 18027 12646 1 19 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.509 -2.112 18027 12647 1 19 . 1 1 67 67 GLU H H 67 7.487 7.487 8.634 -1.147 18027 12648 1 19 . 1 1 68 68 PHE N N 68 123.182 123.182 121.904 1.278 18027 12649 1 19 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.267 -0.599 18027 12650 1 19 . 1 1 68 68 PHE CA C 68 58.429 58.429 62.019 -3.590 18027 12651 1 19 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.648 -2.057 18027 12652 1 19 . 1 1 68 68 PHE H H 68 8.066 8.066 7.682 0.384 18027 12653 1 19 . 1 1 69 69 LEU N N 69 119.530 119.530 114.730 4.800 18027 12654 1 19 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.223 -0.268 18027 12655 1 19 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.657 -1.883 18027 12656 1 19 . 1 1 69 69 LEU CB C 69 39.419 39.419 40.478 -1.059 18027 12657 1 19 . 1 1 69 69 LEU H H 69 8.672 8.672 7.942 0.730 18027 12658 1 19 . 1 1 70 70 THR N N 70 113.765 113.765 116.493 -2.728 18027 12659 1 19 . 1 1 70 70 THR HA H 70 3.806 3.806 3.924 -0.118 18027 12660 1 19 . 1 1 70 70 THR CA C 70 63.861 63.861 66.032 -2.171 18027 12661 1 19 . 1 1 70 70 THR CB C 70 66.147 66.147 68.591 -2.444 18027 12662 1 19 . 1 1 70 70 THR H H 70 7.909 7.909 7.443 0.466 18027 12663 1 19 . 1 1 71 71 MET N N 71 119.518 119.518 119.356 0.162 18027 12664 1 19 . 1 1 71 71 MET HA H 71 3.881 3.881 4.224 -0.343 18027 12665 1 19 . 1 1 71 71 MET CA C 71 56.106 56.106 58.415 -2.309 18027 12666 1 19 . 1 1 71 71 MET CB C 71 29.595 29.595 32.958 -3.363 18027 12667 1 19 . 1 1 71 71 MET H H 71 7.120 7.120 7.414 -0.294 18027 12668 1 19 . 1 1 72 72 MET N N 72 116.280 116.280 118.508 -2.228 18027 12669 1 19 . 1 1 72 72 MET HA H 72 3.817 3.817 4.082 -0.265 18027 12670 1 19 . 1 1 72 72 MET CA C 72 55.111 55.111 58.599 -3.488 18027 12671 1 19 . 1 1 72 72 MET CB C 72 27.892 27.892 32.881 -4.989 18027 12672 1 19 . 1 1 72 72 MET H H 72 7.737 7.737 7.549 0.188 18027 12673 1 19 . 1 1 73 73 ALA N N 73 119.984 119.984 117.937 2.047 18027 12674 1 19 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.124 -0.286 18027 12675 1 19 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.728 -1.916 18027 12676 1 19 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.407 -3.204 18027 12677 1 19 . 1 1 73 73 ALA H H 73 8.322 8.322 7.488 0.834 18027 12678 1 19 . 1 1 74 74 ARG N N 74 116.354 116.354 118.577 -2.223 18027 12679 1 19 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.167 -0.329 18027 12680 1 19 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.817 -2.860 18027 12681 1 19 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.413 -5.158 18027 12682 1 19 . 1 1 74 74 ARG H H 74 7.264 7.264 7.303 -0.038 18027 12683 1 19 . 1 1 75 75 LYS N N 75 120.084 120.084 118.754 1.330 18027 12684 1 19 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.466 -0.518 18027 12685 1 19 . 1 1 75 75 LYS CA C 75 54.859 54.859 56.761 -1.902 18027 12686 1 19 . 1 1 75 75 LYS CB C 75 28.681 28.681 31.671 -2.990 18027 12687 1 19 . 1 1 75 75 LYS H H 75 7.756 7.756 7.727 0.029 18027 12688 1 19 . 1 1 76 76 MET N N 76 117.139 117.139 118.457 -1.318 18027 12689 1 19 . 1 1 76 76 MET HA H 76 4.168 4.168 4.298 -0.130 18027 12690 1 19 . 1 1 76 76 MET CA C 76 54.704 54.704 57.012 -2.308 18027 12691 1 19 . 1 1 76 76 MET CB C 76 30.052 30.052 32.820 -2.768 18027 12692 1 19 . 1 1 76 76 MET H H 76 7.985 7.985 7.619 0.366 18027 12693 1 19 . 1 1 77 77 LYS N N 77 116.614 116.614 116.114 0.500 18027 12694 1 19 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.516 -0.295 18027 12695 1 19 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.130 -2.946 18027 12696 1 19 . 1 1 77 77 LYS CB C 77 26.283 26.283 31.951 -5.668 18027 12697 1 19 . 1 1 77 77 LYS H H 77 7.275 7.275 7.430 -0.155 18027 12698 1 19 . 1 1 78 78 ASP N N 78 123.187 123.187 121.873 1.314 18027 12699 1 19 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.715 -0.264 18027 12700 1 19 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.884 -3.152 18027 12701 1 19 . 1 1 78 78 ASP CB C 78 38.391 38.391 40.694 -2.303 18027 12702 1 19 . 1 1 78 78 ASP H H 78 8.181 8.181 7.962 0.219 18027 12703 1 19 . 1 1 79 79 THR N N 79 114.325 114.325 109.839 4.486 18027 12704 1 19 . 1 1 79 79 THR HA H 79 4.034 4.034 3.924 0.110 18027 12705 1 19 . 1 1 79 79 THR CA C 79 61.322 61.322 64.334 -3.012 18027 12706 1 19 . 1 1 79 79 THR CB C 79 66.147 66.147 67.163 -1.016 18027 12707 1 19 . 1 1 79 79 THR H H 79 8.377 8.377 8.352 0.025 18027 12708 1 19 . 1 1 80 80 ASP N N 80 120.844 120.844 119.617 1.227 18027 12709 1 19 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.825 -0.520 18027 12710 1 19 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.943 -3.271 18027 12711 1 19 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.758 -3.167 18027 12712 1 19 . 1 1 80 80 ASP H H 80 8.223 8.223 8.580 -0.357 18027 12713 1 19 . 1 1 81 81 SER N N 81 115.729 115.729 114.770 0.959 18027 12714 1 19 . 1 1 81 81 SER HA H 81 3.911 3.911 4.237 -0.326 18027 12715 1 19 . 1 1 81 81 SER CA C 81 57.939 57.939 60.031 -2.092 18027 12716 1 19 . 1 1 81 81 SER CB C 81 60.664 60.664 62.748 -2.084 18027 12717 1 19 . 1 1 81 81 SER H H 81 7.785 7.785 8.388 -0.603 18027 12718 1 19 . 1 1 82 82 GLU N N 82 121.960 121.960 122.253 -0.293 18027 12719 1 19 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.136 -0.240 18027 12720 1 19 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.981 -2.152 18027 12721 1 19 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.480 -2.855 18027 12722 1 19 . 1 1 82 82 GLU H H 82 8.208 8.208 8.472 -0.264 18027 12723 1 19 . 1 1 83 83 GLU N N 83 118.040 118.040 118.080 -0.040 18027 12724 1 19 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.155 -0.317 18027 12725 1 19 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.842 -2.897 18027 12726 1 19 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.017 -2.184 18027 12727 1 19 . 1 1 83 83 GLU H H 83 7.898 7.898 7.904 -0.006 18027 12728 1 19 . 1 1 84 84 GLU N N 84 118.825 118.825 120.193 -1.368 18027 12729 1 19 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.383 -3.625 18027 12730 1 19 . 1 1 84 84 GLU CB C 84 30.852 30.852 30.139 0.713 18027 12731 1 19 . 1 1 84 84 GLU H H 84 8.154 8.154 7.521 0.632 18027 12732 1 19 . 1 1 85 85 ILE N N 85 119.310 119.310 119.202 0.108 18027 12733 1 19 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.917 -0.150 18027 12734 1 19 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.964 -5.106 18027 12735 1 19 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.886 -2.237 18027 12736 1 19 . 1 1 85 85 ILE H H 85 7.793 7.793 7.552 0.241 18027 12737 1 19 . 1 1 86 86 ARG N N 86 120.640 120.640 119.742 0.898 18027 12738 1 19 . 1 1 86 86 ARG HA H 86 3.925 3.925 3.991 -0.066 18027 12739 1 19 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.572 -2.307 18027 12740 1 19 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.449 -2.595 18027 12741 1 19 . 1 1 86 86 ARG H H 86 8.177 8.177 7.880 0.297 18027 12742 1 19 . 1 1 87 87 GLU N N 87 119.448 119.448 119.644 -0.196 18027 12743 1 19 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.186 -0.334 18027 12744 1 19 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.838 -2.195 18027 12745 1 19 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.189 -3.135 18027 12746 1 19 . 1 1 87 87 GLU H H 87 7.828 7.828 7.841 -0.013 18027 12747 1 19 . 1 1 88 88 ALA N N 88 122.592 122.592 122.645 -0.053 18027 12748 1 19 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.361 -0.333 18027 12749 1 19 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.738 -2.142 18027 12750 1 19 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.717 -4.085 18027 12751 1 19 . 1 1 88 88 ALA H H 88 8.283 8.283 7.328 0.955 18027 12752 1 19 . 1 1 89 89 PHE N N 89 119.245 119.245 119.160 0.085 18027 12753 1 19 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.046 -0.932 18027 12754 1 19 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.091 -1.546 18027 12755 1 19 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.579 -3.244 18027 12756 1 19 . 1 1 89 89 PHE H H 89 8.423 8.423 8.614 -0.191 18027 12757 1 19 . 1 1 90 90 ARG N N 90 117.455 117.455 118.797 -1.342 18027 12758 1 19 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.338 -0.489 18027 12759 1 19 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.316 -2.003 18027 12760 1 19 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.003 -1.806 18027 12761 1 19 . 1 1 90 90 ARG H H 90 7.840 7.840 7.757 0.083 18027 12762 1 19 . 1 1 91 91 VAL N N 91 118.698 118.698 118.493 0.205 18027 12763 1 19 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.782 -0.530 18027 12764 1 19 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.513 -1.181 18027 12765 1 19 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.145 -3.035 18027 12766 1 19 . 1 1 91 91 VAL H H 91 7.262 7.262 7.381 -0.119 18027 12767 1 19 . 1 1 92 92 PHE N N 92 112.495 112.495 117.619 -5.124 18027 12768 1 19 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.277 -0.343 18027 12769 1 19 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.293 -3.112 18027 12770 1 19 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.636 -0.217 18027 12771 1 19 . 1 1 92 92 PHE H H 92 6.693 6.693 7.295 -0.602 18027 12772 1 19 . 1 1 93 93 ASP N N 93 117.214 117.214 118.544 -1.330 18027 12773 1 19 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.588 -0.153 18027 12774 1 19 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.538 -2.757 18027 12775 1 19 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.211 -2.762 18027 12776 1 19 . 1 1 93 93 ASP H H 93 7.954 7.954 7.822 0.132 18027 12777 1 19 . 1 1 94 94 LYS N N 94 125.565 125.565 124.091 1.474 18027 12778 1 19 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.199 -0.420 18027 12779 1 19 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.311 -2.632 18027 12780 1 19 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.620 -3.026 18027 12781 1 19 . 1 1 94 94 LYS H H 94 7.671 7.671 8.074 -0.403 18027 12782 1 19 . 1 1 95 95 ASP N N 95 114.041 114.041 115.374 -1.333 18027 12783 1 19 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.637 -0.229 18027 12784 1 19 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.306 -3.093 18027 12785 1 19 . 1 1 95 95 ASP CB C 95 36.563 36.563 40.198 -3.635 18027 12786 1 19 . 1 1 95 95 ASP H H 95 7.944 7.944 7.841 0.103 18027 12787 1 19 . 1 1 96 96 GLY N N 96 108.849 108.849 108.623 0.226 18027 12788 1 19 . 1 1 96 96 GLY CA C 96 44.199 44.199 46.037 -1.838 18027 12789 1 19 . 1 1 96 96 GLY H H 96 7.529 7.529 7.496 0.033 18027 12790 1 19 . 1 1 97 97 ASN N N 97 119.410 119.410 118.803 0.607 18027 12791 1 19 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.605 -0.181 18027 12792 1 19 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.666 -3.983 18027 12793 1 19 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.831 -2.268 18027 12794 1 19 . 1 1 97 97 ASN H H 97 8.234 8.234 8.382 -0.148 18027 12795 1 19 . 1 1 98 98 GLY N N 98 112.073 112.073 106.931 5.142 18027 12796 1 19 . 1 1 98 98 GLY CA C 98 42.176 42.176 46.136 -3.960 18027 12797 1 19 . 1 1 98 98 GLY H H 98 10.298 10.298 8.289 2.009 18027 12798 1 19 . 1 1 99 99 TYR N N 99 116.011 116.011 118.194 -2.183 18027 12799 1 19 . 1 1 99 99 TYR HA H 99 4.818 4.818 4.953 -0.135 18027 12800 1 19 . 1 1 99 99 TYR CA C 99 53.681 53.681 56.815 -3.134 18027 12801 1 19 . 1 1 99 99 TYR CB C 99 39.875 39.875 42.412 -2.537 18027 12802 1 19 . 1 1 99 99 TYR H H 99 7.497 7.497 7.598 -0.101 18027 12803 1 19 . 1 1 100 100 ILE N N 100 126.793 126.793 123.417 3.376 18027 12804 1 19 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.118 0.305 18027 12805 1 19 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.999 -2.370 18027 12806 1 19 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.382 -2.634 18027 12807 1 19 . 1 1 100 100 ILE H H 100 9.833 9.833 8.517 1.316 18027 12808 1 19 . 1 1 101 101 SER N N 101 123.825 123.825 123.032 0.793 18027 12809 1 19 . 1 1 101 101 SER HA H 101 4.657 4.657 4.630 0.027 18027 12810 1 19 . 1 1 101 101 SER CA C 101 53.060 53.060 57.796 -4.736 18027 12811 1 19 . 1 1 101 101 SER CB C 101 64.091 64.091 64.092 -0.001 18027 12812 1 19 . 1 1 101 101 SER H H 101 8.870 8.870 8.429 0.441 18027 12813 1 19 . 1 1 102 102 ALA N N 102 122.909 122.909 126.968 -4.059 18027 12814 1 19 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.077 -0.313 18027 12815 1 19 . 1 1 102 102 ALA CA C 102 53.050 53.050 54.975 -1.925 18027 12816 1 19 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.610 -3.635 18027 12817 1 19 . 1 1 102 102 ALA H H 102 9.209 9.209 8.947 0.262 18027 12818 1 19 . 1 1 103 103 ALA N N 103 118.692 118.692 120.631 -1.939 18027 12819 1 19 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.218 -0.344 18027 12820 1 19 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.908 -2.423 18027 12821 1 19 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.426 -3.223 18027 12822 1 19 . 1 1 103 103 ALA H H 103 8.146 8.146 8.221 -0.075 18027 12823 1 19 . 1 1 104 104 GLU N N 104 120.098 120.098 118.702 1.396 18027 12824 1 19 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.198 -0.335 18027 12825 1 19 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.822 -2.247 18027 12826 1 19 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.467 -4.098 18027 12827 1 19 . 1 1 104 104 GLU H H 104 7.832 7.832 8.143 -0.311 18027 12828 1 19 . 1 1 105 105 LEU N N 105 121.466 121.466 120.571 0.895 18027 12829 1 19 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.071 0.045 18027 12830 1 19 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.891 -2.195 18027 12831 1 19 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.980 -3.018 18027 12832 1 19 . 1 1 105 105 LEU H H 105 8.300 8.300 7.623 0.677 18027 12833 1 19 . 1 1 106 106 ARG N N 106 118.978 118.978 118.644 0.334 18027 12834 1 19 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.975 -0.123 18027 12835 1 19 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.111 -1.677 18027 12836 1 19 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.568 -2.484 18027 12837 1 19 . 1 1 106 106 ARG H H 106 8.882 8.882 7.642 1.240 18027 12838 1 19 . 1 1 107 107 HIS N N 107 118.543 118.543 118.007 0.536 18027 12839 1 19 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.341 -0.141 18027 12840 1 19 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.529 -2.704 18027 12841 1 19 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.663 -2.922 18027 12842 1 19 . 1 1 107 107 HIS H H 107 7.991 7.991 7.766 0.225 18027 12843 1 19 . 1 1 108 108 VAL N N 108 118.687 118.687 118.858 -0.171 18027 12844 1 19 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.740 -0.648 18027 12845 1 19 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.126 -1.916 18027 12846 1 19 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.451 -2.541 18027 12847 1 19 . 1 1 108 108 VAL H H 108 7.425 7.425 7.577 -0.152 18027 12848 1 19 . 1 1 109 109 MET N N 109 115.725 115.725 117.887 -2.162 18027 12849 1 19 . 1 1 109 109 MET HA H 109 3.944 3.944 4.343 -0.399 18027 12850 1 19 . 1 1 109 109 MET CA C 109 55.212 55.212 57.571 -2.359 18027 12851 1 19 . 1 1 109 109 MET CB C 109 27.425 27.425 31.893 -4.468 18027 12852 1 19 . 1 1 109 109 MET H H 109 7.972 7.972 7.656 0.316 18027 12853 1 19 . 1 1 110 110 THR N N 110 116.999 116.999 115.827 1.172 18027 12854 1 19 . 1 1 110 110 THR HA H 110 3.852 3.852 4.518 -0.666 18027 12855 1 19 . 1 1 110 110 THR CA C 110 63.918 63.918 65.003 -1.085 18027 12856 1 19 . 1 1 110 110 THR CB C 110 65.844 65.844 68.469 -2.625 18027 12857 1 19 . 1 1 110 110 THR H H 110 8.691 8.691 8.566 0.125 18027 12858 1 19 . 1 1 111 111 ASN N N 111 123.893 123.893 120.926 2.967 18027 12859 1 19 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.608 -0.367 18027 12860 1 19 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.804 -2.856 18027 12861 1 19 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.480 -3.516 18027 12862 1 19 . 1 1 111 111 ASN H H 111 7.911 7.911 8.107 -0.196 18027 12863 1 19 . 1 1 112 112 LEU N N 112 119.244 119.244 116.381 2.863 18027 12864 1 19 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.212 -0.140 18027 12865 1 19 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.022 -2.121 18027 12866 1 19 . 1 1 112 112 LEU CB C 112 39.533 39.533 41.937 -2.404 18027 12867 1 19 . 1 1 112 112 LEU H H 112 7.618 7.618 7.992 -0.374 18027 12868 1 19 . 1 1 113 113 GLY N N 113 107.263 107.263 106.500 0.763 18027 12869 1 19 . 1 1 113 113 GLY CA C 113 42.437 42.437 45.009 -2.572 18027 12870 1 19 . 1 1 113 113 GLY H H 113 7.743 7.743 7.438 0.305 18027 12871 1 19 . 1 1 114 114 GLU N N 114 120.073 120.073 119.409 0.664 18027 12872 1 19 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.563 -0.273 18027 12873 1 19 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.888 -3.362 18027 12874 1 19 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.609 -5.070 18027 12875 1 19 . 1 1 114 114 GLU H H 114 7.857 7.857 7.727 0.130 18027 12876 1 19 . 1 1 115 115 LYS N N 115 124.142 124.142 123.497 0.645 18027 12877 1 19 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.501 -0.281 18027 12878 1 19 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.411 -2.517 18027 12879 1 19 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.146 -3.665 18027 12880 1 19 . 1 1 115 115 LYS H H 115 8.377 8.377 8.601 -0.224 18027 12881 1 19 . 1 1 116 116 LEU N N 116 125.240 125.240 125.006 0.234 18027 12882 1 19 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.609 -0.137 18027 12883 1 19 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.597 -2.159 18027 12884 1 19 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.520 -3.845 18027 12885 1 19 . 1 1 116 116 LEU H H 116 8.002 8.002 8.422 -0.420 18027 12886 1 19 . 1 1 117 117 THR N N 117 113.520 113.520 115.516 -1.996 18027 12887 1 19 . 1 1 117 117 THR CA C 117 57.922 57.922 60.487 -2.565 18027 12888 1 19 . 1 1 117 117 THR CB C 117 68.352 68.352 70.171 -1.819 18027 12889 1 19 . 1 1 117 117 THR H H 117 8.927 8.927 8.801 0.126 18027 12890 1 19 . 1 1 118 118 ASP N N 118 120.859 120.859 121.606 -0.747 18027 12891 1 19 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.455 -0.412 18027 12892 1 19 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.140 -1.975 18027 12893 1 19 . 1 1 118 118 ASP CB C 118 36.774 36.774 41.117 -4.343 18027 12894 1 19 . 1 1 118 118 ASP H H 118 8.754 8.754 8.745 0.009 18027 12895 1 19 . 1 1 119 119 GLU N N 119 119.112 119.112 118.981 0.131 18027 12896 1 19 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.055 -0.128 18027 12897 1 19 . 1 1 119 119 GLU CA C 119 57.190 57.190 58.988 -1.798 18027 12898 1 19 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.432 -3.149 18027 12899 1 19 . 1 1 119 119 GLU H H 119 8.507 8.507 7.726 0.781 18027 12900 1 19 . 1 1 120 120 GLU N N 120 120.059 120.059 118.597 1.462 18027 12901 1 19 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.348 -0.490 18027 12902 1 19 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.419 -1.960 18027 12903 1 19 . 1 1 120 120 GLU CB C 120 27.517 27.517 30.018 -2.502 18027 12904 1 19 . 1 1 120 120 GLU H H 120 7.809 7.809 7.591 0.218 18027 12905 1 19 . 1 1 121 121 VAL N N 121 120.512 120.512 119.013 1.499 18027 12906 1 19 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.748 -0.276 18027 12907 1 19 . 1 1 121 121 VAL CA C 121 64.082 64.082 65.605 -1.523 18027 12908 1 19 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.744 -3.176 18027 12909 1 19 . 1 1 121 121 VAL H H 121 7.898 7.898 7.251 0.647 18027 12910 1 19 . 1 1 122 122 ASP N N 122 119.857 119.857 119.940 -0.083 18027 12911 1 19 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.371 -0.203 18027 12912 1 19 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.874 -2.968 18027 12913 1 19 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.867 -3.390 18027 12914 1 19 . 1 1 122 122 ASP H H 122 7.897 7.897 7.775 0.122 18027 12915 1 19 . 1 1 123 123 GLU N N 123 119.630 119.630 118.285 1.345 18027 12916 1 19 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.125 -0.287 18027 12917 1 19 . 1 1 123 123 GLU CA C 123 57.077 57.077 59.122 -2.045 18027 12918 1 19 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.380 -3.211 18027 12919 1 19 . 1 1 123 123 GLU H H 123 7.963 7.963 7.806 0.157 18027 12920 1 19 . 1 1 124 124 MET N N 124 119.144 119.144 117.799 1.345 18027 12921 1 19 . 1 1 124 124 MET HA H 124 3.859 3.859 4.183 -0.324 18027 12922 1 19 . 1 1 124 124 MET CA C 124 56.508 56.508 58.624 -2.116 18027 12923 1 19 . 1 1 124 124 MET CB C 124 29.253 29.253 32.996 -3.744 18027 12924 1 19 . 1 1 124 124 MET H H 124 7.631 7.631 7.424 0.207 18027 12925 1 19 . 1 1 125 125 ILE N N 125 117.557 117.557 120.290 -2.733 18027 12926 1 19 . 1 1 125 125 ILE HA H 125 3.284 3.284 4.067 -0.783 18027 12927 1 19 . 1 1 125 125 ILE CA C 125 61.139 61.139 65.055 -3.916 18027 12928 1 19 . 1 1 125 125 ILE CB C 125 34.050 34.050 38.126 -4.076 18027 12929 1 19 . 1 1 125 125 ILE H H 125 7.669 7.669 7.392 0.277 18027 12930 1 19 . 1 1 126 126 ARG N N 126 118.414 118.414 118.665 -0.251 18027 12931 1 19 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.144 -0.286 18027 12932 1 19 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.347 -1.545 18027 12933 1 19 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.467 -2.042 18027 12934 1 19 . 1 1 126 126 ARG H H 126 7.952 7.952 7.697 0.255 18027 12935 1 19 . 1 1 127 127 GLU N N 127 116.143 116.143 117.517 -1.374 18027 12936 1 19 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.339 -0.481 18027 12937 1 19 . 1 1 127 127 GLU CA C 127 56.215 56.215 57.830 -1.615 18027 12938 1 19 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.206 -3.009 18027 12939 1 19 . 1 1 127 127 GLU H H 127 7.294 7.294 7.879 -0.585 18027 12940 1 19 . 1 1 128 128 ALA N N 128 116.994 116.994 119.205 -2.211 18027 12941 1 19 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.580 -0.127 18027 12942 1 19 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.564 -3.392 18027 12943 1 19 . 1 1 128 128 ALA CB C 128 19.772 19.772 21.259 -1.487 18027 12944 1 19 . 1 1 128 128 ALA H H 128 7.110 7.110 7.306 -0.196 18027 12945 1 19 . 1 1 129 129 ASP N N 129 117.846 117.846 121.544 -3.698 18027 12946 1 19 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.868 -0.426 18027 12947 1 19 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.228 -2.595 18027 12948 1 19 . 1 1 129 129 ASP CB C 129 38.505 38.505 41.111 -2.606 18027 12949 1 19 . 1 1 129 129 ASP H H 129 7.508 7.508 8.532 -1.024 18027 12950 1 19 . 1 1 130 130 ILE N N 130 128.118 128.118 121.607 6.511 18027 12951 1 19 . 1 1 130 130 ILE HA H 130 3.750 3.750 3.985 -0.235 18027 12952 1 19 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.820 -3.237 18027 12953 1 19 . 1 1 130 130 ILE CB C 130 35.763 35.763 37.940 -2.177 18027 12954 1 19 . 1 1 130 130 ILE H H 130 8.168 8.168 8.431 -0.263 18027 12955 1 19 . 1 1 131 131 ASP N N 131 116.572 116.572 118.694 -2.122 18027 12956 1 19 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.591 -0.295 18027 12957 1 19 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.468 -2.346 18027 12958 1 19 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.389 -2.912 18027 12959 1 19 . 1 1 131 131 ASP H H 131 8.136 8.136 7.986 0.150 18027 12960 1 19 . 1 1 132 132 GLY N N 132 108.411 108.411 108.555 -0.144 18027 12961 1 19 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.929 -1.422 18027 12962 1 19 . 1 1 132 132 GLY H H 132 7.460 7.460 8.230 -0.770 18027 12963 1 19 . 1 1 133 133 ASP N N 133 120.424 120.424 120.143 0.281 18027 12964 1 19 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.490 -0.194 18027 12965 1 19 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.766 -2.913 18027 12966 1 19 . 1 1 133 133 ASP H H 133 8.177 8.177 8.133 0.044 18027 12967 1 19 . 1 1 134 134 GLY N N 134 112.396 112.396 107.216 5.180 18027 12968 1 19 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.314 -2.261 18027 12969 1 19 . 1 1 134 134 GLY H H 134 10.043 10.043 7.849 2.194 18027 12970 1 19 . 1 1 135 135 GLN N N 135 115.588 115.588 118.258 -2.670 18027 12971 1 19 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.320 -0.516 18027 12972 1 19 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.404 -2.989 18027 12973 1 19 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.688 -3.406 18027 12974 1 19 . 1 1 135 135 GLN H H 135 7.866 7.866 7.616 0.250 18027 12975 1 19 . 1 1 136 136 VAL N N 136 124.910 124.910 120.639 4.271 18027 12976 1 19 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.452 0.547 18027 12977 1 19 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.340 -1.633 18027 12978 1 19 . 1 1 136 136 VAL CB C 136 31.080 31.080 32.470 -1.390 18027 12979 1 19 . 1 1 136 136 VAL H H 136 8.856 8.856 8.404 0.452 18027 12980 1 19 . 1 1 137 137 ASN N N 137 129.009 129.009 123.902 5.107 18027 12981 1 19 . 1 1 137 137 ASN HA H 137 5.173 5.173 4.821 0.352 18027 12982 1 19 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.471 -3.388 18027 12983 1 19 . 1 1 137 137 ASN CB C 137 35.634 35.634 39.835 -4.201 18027 12984 1 19 . 1 1 137 137 ASN H H 137 9.390 9.390 8.562 0.828 18027 12985 1 19 . 1 1 138 138 TYR N N 138 118.471 118.471 118.446 0.025 18027 12986 1 19 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.049 0.429 18027 12987 1 19 . 1 1 138 138 TYR CA C 138 59.799 59.799 60.865 -1.067 18027 12988 1 19 . 1 1 138 138 TYR CB C 138 35.535 35.535 36.900 -1.365 18027 12989 1 19 . 1 1 138 138 TYR H H 138 8.075 8.075 7.898 0.177 18027 12990 1 19 . 1 1 139 139 GLU N N 139 118.535 118.535 120.317 -1.782 18027 12991 1 19 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.028 -0.190 18027 12992 1 19 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.647 -2.115 18027 12993 1 19 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.541 -2.601 18027 12994 1 19 . 1 1 139 139 GLU H H 139 7.925 7.925 7.807 0.118 18027 12995 1 19 . 1 1 140 140 GLU N N 140 119.583 119.583 119.299 0.284 18027 12996 1 19 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.143 -0.294 18027 12997 1 19 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.418 -2.336 18027 12998 1 19 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.334 -2.822 18027 12999 1 19 . 1 1 140 140 GLU H H 140 8.664 8.664 7.947 0.717 18027 13000 1 19 . 1 1 141 141 PHE N N 141 123.810 123.810 121.198 2.612 18027 13001 1 19 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.217 -0.496 18027 13002 1 19 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.568 -2.476 18027 13003 1 19 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.359 -1.654 18027 13004 1 19 . 1 1 141 141 PHE H H 141 8.395 8.395 8.009 0.386 18027 13005 1 19 . 1 1 142 142 VAL N N 142 118.551 118.551 118.071 0.480 18027 13006 1 19 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.611 -0.519 18027 13007 1 19 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.059 -1.877 18027 13008 1 19 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.786 -2.990 18027 13009 1 19 . 1 1 142 142 VAL H H 142 8.484 8.484 8.134 0.350 18027 13010 1 19 . 1 1 143 143 GLN N N 143 119.672 119.672 118.125 1.547 18027 13011 1 19 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.057 -0.219 18027 13012 1 19 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.040 -1.767 18027 13013 1 19 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.715 -3.803 18027 13014 1 19 . 1 1 143 143 GLN H H 143 7.803 7.803 7.523 0.280 18027 13015 1 19 . 1 1 144 144 MET N N 144 116.710 116.710 116.853 -0.143 18027 13016 1 19 . 1 1 144 144 MET HA H 144 3.943 3.943 4.147 -0.204 18027 13017 1 19 . 1 1 144 144 MET CA C 144 55.387 55.387 56.958 -1.571 18027 13018 1 19 . 1 1 144 144 MET CB C 144 29.709 29.709 32.249 -2.540 18027 13019 1 19 . 1 1 144 144 MET H H 144 7.322 7.322 7.426 -0.104 18027 13020 1 19 . 1 1 145 145 MET N N 145 114.879 114.879 112.509 2.370 18027 13021 1 19 . 1 1 145 145 MET HA H 145 4.062 4.062 4.425 -0.363 18027 13022 1 19 . 1 1 145 145 MET CA C 145 53.291 53.291 55.703 -2.412 18027 13023 1 19 . 1 1 145 145 MET CB C 145 29.253 29.253 33.275 -4.022 18027 13024 1 19 . 1 1 145 145 MET H H 145 7.467 7.467 7.516 -0.049 18027 13025 1 19 . 1 1 146 146 THR N N 146 108.698 108.698 109.534 -0.836 18027 13026 1 19 . 1 1 146 146 THR HA H 146 4.136 4.136 4.324 -0.188 18027 13027 1 19 . 1 1 146 146 THR CA C 146 59.201 59.201 61.908 -2.708 18027 13028 1 19 . 1 1 146 146 THR CB C 146 67.404 67.404 69.496 -2.092 18027 13029 1 19 . 1 1 146 146 THR H H 146 7.551 7.551 7.369 0.182 18027 13030 1 19 . 1 1 147 147 ALA N N 147 126.669 126.669 124.723 1.946 18027 13031 1 19 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.528 -0.383 18027 13032 1 19 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.719 -1.647 18027 13033 1 19 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.906 -3.561 18027 13034 1 19 . 1 1 147 147 ALA H H 147 7.596 7.596 7.365 0.231 18027 13035 1 20 . 1 1 2 2 ASP N N 2 120.442 120.442 119.748 0.694 18027 13036 1 20 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.709 -0.256 18027 13037 1 20 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.380 -2.451 18027 13038 1 20 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.384 -2.879 18027 13039 1 20 . 1 1 2 2 ASP H H 2 8.521 8.521 8.440 0.081 18027 13040 1 20 . 1 1 3 3 GLN N N 3 119.769 119.769 120.543 -0.774 18027 13041 1 20 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.503 -0.285 18027 13042 1 20 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.172 -2.486 18027 13043 1 20 . 1 1 3 3 GLN H H 3 8.199 8.199 7.932 0.267 18027 13044 1 20 . 1 1 4 4 LEU N N 4 120.939 120.939 122.648 -1.709 18027 13045 1 20 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.620 -0.137 18027 13046 1 20 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.469 -2.885 18027 13047 1 20 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.244 -2.683 18027 13048 1 20 . 1 1 4 4 LEU H H 4 7.510 7.510 8.437 -0.927 18027 13049 1 20 . 1 1 5 5 THR N N 5 112.777 112.777 114.898 -2.121 18027 13050 1 20 . 1 1 5 5 THR HA H 5 4.253 4.253 4.400 -0.147 18027 13051 1 20 . 1 1 5 5 THR CA C 5 57.873 57.873 62.131 -4.258 18027 13052 1 20 . 1 1 5 5 THR CB C 5 68.203 68.203 68.891 -0.688 18027 13053 1 20 . 1 1 5 5 THR H H 5 8.576 8.576 7.838 0.738 18027 13054 1 20 . 1 1 6 6 GLU N N 6 120.254 120.254 120.119 0.135 18027 13055 1 20 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.095 -0.301 18027 13056 1 20 . 1 1 6 6 GLU CA C 6 57.645 57.645 58.952 -1.307 18027 13057 1 20 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.257 -2.971 18027 13058 1 20 . 1 1 6 6 GLU H H 6 8.874 8.874 8.640 0.234 18027 13059 1 20 . 1 1 7 7 GLU N N 7 119.637 119.637 119.198 0.439 18027 13060 1 20 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.180 -0.284 18027 13061 1 20 . 1 1 7 7 GLU CA C 7 57.176 57.176 58.974 -1.798 18027 13062 1 20 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.553 -3.499 18027 13063 1 20 . 1 1 7 7 GLU H H 7 8.536 8.536 8.353 0.183 18027 13064 1 20 . 1 1 8 8 GLN N N 8 120.086 120.086 119.109 0.977 18027 13065 1 20 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.264 -0.426 18027 13066 1 20 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.301 -1.891 18027 13067 1 20 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.217 -2.592 18027 13068 1 20 . 1 1 8 8 GLN H H 8 7.499 7.499 7.804 -0.305 18027 13069 1 20 . 1 1 9 9 ILE N N 9 120.295 120.295 119.768 0.527 18027 13070 1 20 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.736 -0.069 18027 13071 1 20 . 1 1 9 9 ILE CA C 9 64.046 64.046 65.041 -0.995 18027 13072 1 20 . 1 1 9 9 ILE H H 9 8.405 8.405 8.749 -0.344 18027 13073 1 20 . 1 1 10 10 ALA N N 10 121.503 121.503 121.540 -0.037 18027 13074 1 20 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.127 -0.216 18027 13075 1 20 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.309 -2.652 18027 13076 1 20 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.102 -3.127 18027 13077 1 20 . 1 1 10 10 ALA H H 10 7.949 7.949 7.632 0.317 18027 13078 1 20 . 1 1 11 11 GLU N N 11 118.352 118.352 118.764 -0.412 18027 13079 1 20 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.136 -0.298 18027 13080 1 20 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.728 -2.055 18027 13081 1 20 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.506 -2.538 18027 13082 1 20 . 1 1 11 11 GLU H H 11 7.700 7.700 7.814 -0.114 18027 13083 1 20 . 1 1 12 12 PHE N N 12 117.277 117.277 120.683 -3.406 18027 13084 1 20 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.264 0.213 18027 13085 1 20 . 1 1 12 12 PHE CA C 12 59.655 59.655 62.512 -2.857 18027 13086 1 20 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.306 -3.772 18027 13087 1 20 . 1 1 12 12 PHE H H 12 8.211 8.211 7.738 0.473 18027 13088 1 20 . 1 1 13 13 LYS N N 13 122.928 122.928 119.158 3.770 18027 13089 1 20 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.934 -0.009 18027 13090 1 20 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.493 -2.340 18027 13091 1 20 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.190 -6.021 18027 13092 1 20 . 1 1 13 13 LYS H H 13 8.925 8.925 7.926 0.999 18027 13093 1 20 . 1 1 14 14 GLU N N 14 119.706 119.706 117.750 1.956 18027 13094 1 20 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.164 -0.306 18027 13095 1 20 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.917 -2.581 18027 13096 1 20 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.878 -3.595 18027 13097 1 20 . 1 1 14 14 GLU H H 14 7.824 7.824 7.769 0.055 18027 13098 1 20 . 1 1 15 15 ALA N N 15 123.880 123.880 122.559 1.321 18027 13099 1 20 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.237 -0.370 18027 13100 1 20 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.308 -1.473 18027 13101 1 20 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.345 -3.142 18027 13102 1 20 . 1 1 15 15 ALA H H 15 8.124 8.124 8.072 0.052 18027 13103 1 20 . 1 1 16 16 PHE N N 16 118.972 118.972 118.649 0.323 18027 13104 1 20 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.118 -0.986 18027 13105 1 20 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.607 -0.624 18027 13106 1 20 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.493 -3.044 18027 13107 1 20 . 1 1 16 16 PHE H H 16 8.446 8.446 8.118 0.328 18027 13108 1 20 . 1 1 17 17 SER N N 17 114.737 114.737 114.038 0.699 18027 13109 1 20 . 1 1 17 17 SER HA H 17 3.902 3.902 4.322 -0.420 18027 13110 1 20 . 1 1 17 17 SER CA C 17 58.999 58.999 60.499 -1.500 18027 13111 1 20 . 1 1 17 17 SER CB C 17 60.436 60.436 62.974 -2.538 18027 13112 1 20 . 1 1 17 17 SER H H 17 7.874 7.874 7.750 0.124 18027 13113 1 20 . 1 1 18 18 LEU N N 18 120.225 120.225 121.116 -0.891 18027 13114 1 20 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.076 -0.291 18027 13115 1 20 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.250 -2.521 18027 13116 1 20 . 1 1 18 18 LEU CB C 18 38.162 38.162 42.222 -4.060 18027 13117 1 20 . 1 1 18 18 LEU H H 18 7.183 7.183 7.240 -0.057 18027 13118 1 20 . 1 1 19 19 PHE N N 19 112.357 112.357 113.514 -1.157 18027 13119 1 20 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.637 -2.213 18027 13120 1 20 . 1 1 19 19 PHE H H 19 6.977 6.977 7.528 -0.551 18027 13121 1 20 . 1 1 20 20 ASP N N 20 117.274 117.274 120.708 -3.434 18027 13122 1 20 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.855 -0.423 18027 13123 1 20 . 1 1 20 20 ASP CA C 20 49.512 49.512 53.014 -3.502 18027 13124 1 20 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.061 -3.384 18027 13125 1 20 . 1 1 20 20 ASP H H 20 7.446 7.446 7.567 -0.121 18027 13126 1 20 . 1 1 21 21 LYS N N 21 124.296 124.296 121.393 2.903 18027 13127 1 20 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.195 -0.357 18027 13128 1 20 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.644 -1.965 18027 13129 1 20 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.318 -2.723 18027 13130 1 20 . 1 1 21 21 LYS H H 21 7.520 7.520 8.114 -0.594 18027 13131 1 20 . 1 1 22 22 ASP N N 22 113.761 113.761 118.890 -5.129 18027 13132 1 20 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.702 -0.268 18027 13133 1 20 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.889 -4.828 18027 13134 1 20 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.362 -4.799 18027 13135 1 20 . 1 1 22 22 ASP H H 22 7.819 7.819 8.177 -0.358 18027 13136 1 20 . 1 1 23 23 GLY N N 23 108.838 108.838 106.984 1.854 18027 13137 1 20 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.726 -1.421 18027 13138 1 20 . 1 1 23 23 GLY H H 23 7.497 7.497 8.454 -0.957 18027 13139 1 20 . 1 1 24 24 ASP N N 24 120.790 120.790 120.485 0.305 18027 13140 1 20 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.759 -0.409 18027 13141 1 20 . 1 1 24 24 ASP CA C 24 50.853 50.853 53.943 -3.090 18027 13142 1 20 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.569 -4.206 18027 13143 1 20 . 1 1 24 24 ASP H H 24 8.312 8.312 8.181 0.131 18027 13144 1 20 . 1 1 25 25 GLY N N 25 112.499 112.499 109.819 2.680 18027 13145 1 20 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.106 -2.686 18027 13146 1 20 . 1 1 25 25 GLY H H 25 10.352 10.352 8.198 2.154 18027 13147 1 20 . 1 1 26 26 THR N N 26 111.781 111.781 112.253 -0.472 18027 13148 1 20 . 1 1 26 26 THR HA H 26 5.316 5.316 5.752 -0.436 18027 13149 1 20 . 1 1 26 26 THR CA C 26 56.878 56.878 60.789 -3.911 18027 13150 1 20 . 1 1 26 26 THR CB C 26 70.031 70.031 72.280 -2.249 18027 13151 1 20 . 1 1 26 26 THR H H 26 8.018 8.018 9.021 -1.003 18027 13152 1 20 . 1 1 27 27 ILE N N 27 126.162 126.162 124.826 1.336 18027 13153 1 20 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.544 0.114 18027 13154 1 20 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.180 -1.703 18027 13155 1 20 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.296 -1.724 18027 13156 1 20 . 1 1 27 27 ILE H H 27 9.769 9.769 8.697 1.072 18027 13157 1 20 . 1 1 28 28 THR N N 28 116.311 116.311 119.656 -3.345 18027 13158 1 20 . 1 1 28 28 THR HA H 28 4.669 4.669 5.045 -0.376 18027 13159 1 20 . 1 1 28 28 THR CA C 28 56.878 56.878 60.802 -3.924 18027 13160 1 20 . 1 1 28 28 THR CB C 28 69.688 69.688 70.083 -0.395 18027 13161 1 20 . 1 1 28 28 THR H H 28 8.302 8.302 8.262 0.040 18027 13162 1 20 . 1 1 29 29 THR N N 29 112.465 112.465 114.192 -1.727 18027 13163 1 20 . 1 1 29 29 THR HA H 29 3.633 3.633 4.015 -0.382 18027 13164 1 20 . 1 1 29 29 THR CA C 29 63.820 63.820 66.304 -2.484 18027 13165 1 20 . 1 1 29 29 THR CB C 29 65.160 65.160 68.403 -3.243 18027 13166 1 20 . 1 1 29 29 THR H H 29 9.078 9.078 8.620 0.458 18027 13167 1 20 . 1 1 30 30 LYS N N 30 120.792 120.792 120.709 0.083 18027 13168 1 20 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.214 -0.259 18027 13169 1 20 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.742 -2.173 18027 13170 1 20 . 1 1 30 30 LYS CB C 30 29.595 29.595 30.959 -1.364 18027 13171 1 20 . 1 1 30 30 LYS H H 30 7.467 7.467 8.470 -1.003 18027 13172 1 20 . 1 1 31 31 GLU N N 31 121.359 121.359 120.899 0.460 18027 13173 1 20 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.170 -0.264 18027 13174 1 20 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.712 -2.035 18027 13175 1 20 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.722 -2.640 18027 13176 1 20 . 1 1 31 31 GLU H H 31 7.574 7.574 7.633 -0.059 18027 13177 1 20 . 1 1 32 32 LEU N N 32 120.087 120.087 120.869 -0.782 18027 13178 1 20 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.394 -0.337 18027 13179 1 20 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.710 -2.138 18027 13180 1 20 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.245 -2.393 18027 13181 1 20 . 1 1 32 32 LEU H H 32 8.712 8.712 7.830 0.882 18027 13182 1 20 . 1 1 33 33 GLY N N 33 105.634 105.634 104.644 0.990 18027 13183 1 20 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.117 -1.480 18027 13184 1 20 . 1 1 33 33 GLY H H 33 8.696 8.696 7.769 0.927 18027 13185 1 20 . 1 1 34 34 THR N N 34 117.265 117.265 118.477 -1.212 18027 13186 1 20 . 1 1 34 34 THR HA H 34 3.810 3.810 3.981 -0.171 18027 13187 1 20 . 1 1 34 34 THR CA C 34 64.259 64.259 66.281 -2.022 18027 13188 1 20 . 1 1 34 34 THR CB C 34 66.033 66.033 68.649 -2.616 18027 13189 1 20 . 1 1 34 34 THR H H 34 7.785 7.785 7.392 0.393 18027 13190 1 20 . 1 1 35 35 VAL N N 35 121.498 121.498 120.620 0.878 18027 13191 1 20 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.817 -0.416 18027 13192 1 20 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.350 -1.042 18027 13193 1 20 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.246 -2.450 18027 13194 1 20 . 1 1 35 35 VAL H H 35 7.268 7.268 7.324 -0.056 18027 13195 1 20 . 1 1 36 36 MET N N 36 117.302 117.302 119.405 -2.103 18027 13196 1 20 . 1 1 36 36 MET HA H 36 3.842 3.842 4.184 -0.342 18027 13197 1 20 . 1 1 36 36 MET CA C 36 56.606 56.606 59.549 -2.943 18027 13198 1 20 . 1 1 36 36 MET CB C 36 28.453 28.453 32.163 -3.710 18027 13199 1 20 . 1 1 36 36 MET H H 36 8.487 8.487 7.595 0.892 18027 13200 1 20 . 1 1 37 37 ARG N N 37 118.262 118.262 117.853 0.409 18027 13201 1 20 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.418 0.239 18027 13202 1 20 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.628 -2.148 18027 13203 1 20 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.429 -3.689 18027 13204 1 20 . 1 1 37 37 ARG H H 37 8.330 8.330 8.163 0.167 18027 13205 1 20 . 1 1 38 38 SER N N 38 117.873 117.873 113.660 4.213 18027 13206 1 20 . 1 1 38 38 SER H H 38 7.815 7.815 7.674 0.141 18027 13207 1 20 . 1 1 39 39 LEU N N 39 117.970 117.970 120.205 -2.235 18027 13208 1 20 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.410 -0.338 18027 13209 1 20 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.281 -3.843 18027 13210 1 20 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.219 -4.057 18027 13211 1 20 . 1 1 39 39 LEU H H 39 7.326 7.326 7.219 0.107 18027 13212 1 20 . 1 1 40 40 GLY N N 40 106.755 106.755 106.288 0.467 18027 13213 1 20 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.909 -2.245 18027 13214 1 20 . 1 1 40 40 GLY H H 40 7.636 7.636 7.632 0.004 18027 13215 1 20 . 1 1 41 41 GLN N N 41 118.316 118.316 119.319 -1.003 18027 13216 1 20 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.567 -0.282 18027 13217 1 20 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.300 -3.447 18027 13218 1 20 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.955 -4.644 18027 13219 1 20 . 1 1 41 41 GLN H H 41 7.827 7.827 8.248 -0.421 18027 13220 1 20 . 1 1 42 42 ASN N N 42 115.866 115.866 120.247 -4.381 18027 13221 1 20 . 1 1 42 42 ASN HA H 42 5.013 5.013 4.920 0.093 18027 13222 1 20 . 1 1 42 42 ASN CA C 42 48.562 48.562 50.726 -2.164 18027 13223 1 20 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.358 -3.040 18027 13224 1 20 . 1 1 42 42 ASN H H 42 8.557 8.557 8.541 0.016 18027 13225 1 20 . 1 1 44 44 THR N N 44 113.035 113.035 116.967 -3.932 18027 13226 1 20 . 1 1 44 44 THR HA H 44 4.296 4.296 4.626 -0.330 18027 13227 1 20 . 1 1 44 44 THR CA C 44 57.922 57.922 59.763 -1.841 18027 13228 1 20 . 1 1 44 44 THR CB C 44 68.317 68.317 71.968 -3.651 18027 13229 1 20 . 1 1 44 44 THR H H 44 8.694 8.694 7.906 0.788 18027 13230 1 20 . 1 1 45 45 GLU N N 45 120.283 120.283 122.149 -1.866 18027 13231 1 20 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.096 -0.200 18027 13232 1 20 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.584 -2.228 18027 13233 1 20 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.395 -3.679 18027 13234 1 20 . 1 1 45 45 GLU H H 45 8.687 8.687 8.950 -0.263 18027 13235 1 20 . 1 1 46 46 ALA N N 46 120.685 120.685 122.218 -1.533 18027 13236 1 20 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.245 -0.375 18027 13237 1 20 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.740 -2.424 18027 13238 1 20 . 1 1 46 46 ALA CB C 46 15.089 15.089 17.994 -2.905 18027 13239 1 20 . 1 1 46 46 ALA H H 46 8.153 8.153 8.280 -0.127 18027 13240 1 20 . 1 1 47 47 GLU N N 47 118.546 118.546 118.246 0.300 18027 13241 1 20 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.187 -0.328 18027 13242 1 20 . 1 1 47 47 GLU CA C 47 56.508 56.508 59.009 -2.501 18027 13243 1 20 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.317 -2.577 18027 13244 1 20 . 1 1 47 47 GLU H H 47 7.554 7.554 8.459 -0.905 18027 13245 1 20 . 1 1 48 48 LEU N N 48 120.085 120.085 120.055 0.030 18027 13246 1 20 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.101 -0.161 18027 13247 1 20 . 1 1 48 48 LEU CA C 48 55.368 55.368 57.912 -2.544 18027 13248 1 20 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.952 -2.533 18027 13249 1 20 . 1 1 48 48 LEU H H 48 8.247 8.247 8.311 -0.064 18027 13250 1 20 . 1 1 49 49 GLN N N 49 118.119 118.119 117.252 0.867 18027 13251 1 20 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.010 -0.097 18027 13252 1 20 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.949 -2.246 18027 13253 1 20 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.498 -2.101 18027 13254 1 20 . 1 1 49 49 GLN H H 49 7.891 7.891 7.988 -0.097 18027 13255 1 20 . 1 1 50 50 ASP N N 50 119.263 119.263 120.777 -1.514 18027 13256 1 20 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.467 -0.288 18027 13257 1 20 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.855 -1.979 18027 13258 1 20 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.972 -3.724 18027 13259 1 20 . 1 1 50 50 ASP H H 50 7.803 7.803 7.649 0.154 18027 13260 1 20 . 1 1 51 51 MET N N 51 120.178 120.178 117.125 3.053 18027 13261 1 20 . 1 1 51 51 MET HA H 51 3.966 3.966 4.213 -0.247 18027 13262 1 20 . 1 1 51 51 MET CA C 51 57.074 57.074 58.801 -1.727 18027 13263 1 20 . 1 1 51 51 MET CB C 51 29.975 29.975 33.208 -3.233 18027 13264 1 20 . 1 1 51 51 MET H H 51 7.831 7.831 7.465 0.366 18027 13265 1 20 . 1 1 52 52 ILE N N 52 116.856 116.856 121.464 -4.608 18027 13266 1 20 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.722 -0.374 18027 13267 1 20 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.276 -2.601 18027 13268 1 20 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.392 -3.570 18027 13269 1 20 . 1 1 52 52 ILE H H 52 7.703 7.703 7.951 -0.248 18027 13270 1 20 . 1 1 53 53 ASN N N 53 117.417 117.417 114.861 2.556 18027 13271 1 20 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.490 -0.237 18027 13272 1 20 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.679 -2.638 18027 13273 1 20 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.294 -3.216 18027 13274 1 20 . 1 1 53 53 ASN H H 53 8.187 8.187 7.899 0.288 18027 13275 1 20 . 1 1 54 54 GLU N N 54 116.996 116.996 118.475 -1.479 18027 13276 1 20 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.180 -0.321 18027 13277 1 20 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.197 -2.323 18027 13278 1 20 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.248 -3.851 18027 13279 1 20 . 1 1 54 54 GLU H H 54 7.391 7.391 7.583 -0.192 18027 13280 1 20 . 1 1 55 55 VAL N N 55 114.596 114.596 116.779 -2.183 18027 13281 1 20 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.106 -0.119 18027 13282 1 20 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.935 -3.990 18027 13283 1 20 . 1 1 55 55 VAL CB C 55 30.738 30.738 33.164 -2.426 18027 13284 1 20 . 1 1 55 55 VAL H H 55 7.151 7.151 7.500 -0.349 18027 13285 1 20 . 1 1 56 56 ASP N N 56 119.670 119.670 122.111 -2.441 18027 13286 1 20 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.396 -0.079 18027 13287 1 20 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.503 -4.147 18027 13288 1 20 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.227 -3.636 18027 13289 1 20 . 1 1 56 56 ASP H H 56 7.913 7.913 8.221 -0.308 18027 13290 1 20 . 1 1 57 57 ALA N N 57 131.491 131.491 128.701 2.790 18027 13291 1 20 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.167 -0.066 18027 13292 1 20 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.505 -2.322 18027 13293 1 20 . 1 1 57 57 ALA H H 57 8.126 8.126 8.715 -0.589 18027 13294 1 20 . 1 1 58 58 ASP N N 58 114.255 114.255 117.233 -2.978 18027 13295 1 20 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.642 -0.208 18027 13296 1 20 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.921 -4.961 18027 13297 1 20 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.840 -5.277 18027 13298 1 20 . 1 1 58 58 ASP H H 58 8.130 8.130 8.133 -0.003 18027 13299 1 20 . 1 1 59 59 GLY N N 59 108.987 108.987 108.491 0.496 18027 13300 1 20 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.331 -1.035 18027 13301 1 20 . 1 1 59 59 GLY H H 59 7.504 7.504 8.633 -1.129 18027 13302 1 20 . 1 1 60 60 ASN N N 60 118.770 118.770 119.073 -0.303 18027 13303 1 20 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.756 -0.327 18027 13304 1 20 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.208 -2.349 18027 13305 1 20 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.456 -5.949 18027 13306 1 20 . 1 1 60 60 ASN H H 60 8.095 8.095 8.594 -0.499 18027 13307 1 20 . 1 1 61 61 GLY N N 61 112.773 112.773 108.546 4.227 18027 13308 1 20 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.228 -2.516 18027 13309 1 20 . 1 1 61 61 GLY H H 61 10.280 10.280 8.892 1.388 18027 13310 1 20 . 1 1 62 62 THR N N 62 108.117 108.117 110.686 -2.569 18027 13311 1 20 . 1 1 62 62 THR HA H 62 4.672 4.672 5.049 -0.377 18027 13312 1 20 . 1 1 62 62 THR CA C 62 56.878 56.878 59.794 -2.916 18027 13313 1 20 . 1 1 62 62 THR CB C 62 69.688 69.688 71.744 -2.056 18027 13314 1 20 . 1 1 62 62 THR H H 62 7.475 7.475 7.780 -0.305 18027 13315 1 20 . 1 1 63 63 ILE N N 63 122.642 122.642 123.025 -0.383 18027 13316 1 20 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.428 0.368 18027 13317 1 20 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.008 -2.196 18027 13318 1 20 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.422 -4.059 18027 13319 1 20 . 1 1 63 63 ILE H H 63 8.449 8.449 8.401 0.048 18027 13320 1 20 . 1 1 64 64 ASP N N 64 128.633 128.633 125.969 2.664 18027 13321 1 20 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.307 0.009 18027 13322 1 20 . 1 1 64 64 ASP CA C 64 49.280 49.280 52.820 -3.540 18027 13323 1 20 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.748 -3.987 18027 13324 1 20 . 1 1 64 64 ASP H H 64 9.011 9.011 8.456 0.555 18027 13325 1 20 . 1 1 65 65 PHE N N 65 118.892 118.892 116.071 2.821 18027 13326 1 20 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.403 -0.636 18027 13327 1 20 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.406 -0.193 18027 13328 1 20 . 1 1 65 65 PHE H H 65 8.766 8.766 8.200 0.566 18027 13329 1 20 . 1 1 67 67 GLU N N 67 118.675 118.675 116.473 2.202 18027 13330 1 20 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.327 -0.490 18027 13331 1 20 . 1 1 67 67 GLU CA C 67 56.605 56.605 56.827 -0.222 18027 13332 1 20 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.070 -1.673 18027 13333 1 20 . 1 1 67 67 GLU H H 67 7.487 7.487 8.781 -1.294 18027 13334 1 20 . 1 1 68 68 PHE N N 68 123.182 123.182 121.418 1.764 18027 13335 1 20 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.355 -0.687 18027 13336 1 20 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.601 -3.172 18027 13337 1 20 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.855 -2.264 18027 13338 1 20 . 1 1 68 68 PHE H H 68 8.066 8.066 7.697 0.369 18027 13339 1 20 . 1 1 69 69 LEU N N 69 119.530 119.530 118.073 1.457 18027 13340 1 20 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.064 -0.109 18027 13341 1 20 . 1 1 69 69 LEU CA C 69 54.774 54.774 57.047 -2.273 18027 13342 1 20 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.287 -1.868 18027 13343 1 20 . 1 1 69 69 LEU H H 69 8.672 8.672 7.710 0.962 18027 13344 1 20 . 1 1 70 70 THR N N 70 113.765 113.765 114.664 -0.899 18027 13345 1 20 . 1 1 70 70 THR HA H 70 3.806 3.806 4.012 -0.206 18027 13346 1 20 . 1 1 70 70 THR CA C 70 63.861 63.861 66.548 -2.687 18027 13347 1 20 . 1 1 70 70 THR CB C 70 66.147 66.147 68.501 -2.354 18027 13348 1 20 . 1 1 70 70 THR H H 70 7.909 7.909 7.814 0.095 18027 13349 1 20 . 1 1 71 71 MET N N 71 119.518 119.518 120.256 -0.738 18027 13350 1 20 . 1 1 71 71 MET HA H 71 3.881 3.881 4.070 -0.189 18027 13351 1 20 . 1 1 71 71 MET CA C 71 56.106 56.106 58.929 -2.823 18027 13352 1 20 . 1 1 71 71 MET CB C 71 29.595 29.595 32.520 -2.925 18027 13353 1 20 . 1 1 71 71 MET H H 71 7.120 7.120 7.428 -0.308 18027 13354 1 20 . 1 1 72 72 MET N N 72 116.280 116.280 117.531 -1.251 18027 13355 1 20 . 1 1 72 72 MET HA H 72 3.817 3.817 4.139 -0.322 18027 13356 1 20 . 1 1 72 72 MET CA C 72 55.111 55.111 58.818 -3.707 18027 13357 1 20 . 1 1 72 72 MET CB C 72 27.892 27.892 32.864 -4.972 18027 13358 1 20 . 1 1 72 72 MET H H 72 7.737 7.737 7.617 0.120 18027 13359 1 20 . 1 1 73 73 ALA N N 73 119.984 119.984 119.337 0.647 18027 13360 1 20 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.189 -0.351 18027 13361 1 20 . 1 1 73 73 ALA CA C 73 51.812 51.812 54.055 -2.243 18027 13362 1 20 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.574 -3.371 18027 13363 1 20 . 1 1 73 73 ALA H H 73 8.322 8.322 7.694 0.628 18027 13364 1 20 . 1 1 74 74 ARG N N 74 116.354 116.354 118.727 -2.373 18027 13365 1 20 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.159 -0.321 18027 13366 1 20 . 1 1 74 74 ARG CA C 74 55.957 55.957 59.023 -3.066 18027 13367 1 20 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.401 -5.146 18027 13368 1 20 . 1 1 74 74 ARG H H 74 7.264 7.264 7.463 -0.199 18027 13369 1 20 . 1 1 75 75 LYS N N 75 120.084 120.084 118.489 1.595 18027 13370 1 20 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.302 -0.354 18027 13371 1 20 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.086 -2.227 18027 13372 1 20 . 1 1 75 75 LYS CB C 75 28.681 28.681 32.101 -3.420 18027 13373 1 20 . 1 1 75 75 LYS H H 75 7.756 7.756 7.634 0.122 18027 13374 1 20 . 1 1 76 76 MET N N 76 117.139 117.139 118.012 -0.873 18027 13375 1 20 . 1 1 76 76 MET HA H 76 4.168 4.168 4.475 -0.307 18027 13376 1 20 . 1 1 76 76 MET CA C 76 54.704 54.704 54.752 -0.048 18027 13377 1 20 . 1 1 76 76 MET CB C 76 30.052 30.052 32.231 -2.179 18027 13378 1 20 . 1 1 76 76 MET H H 76 7.985 7.985 7.546 0.439 18027 13379 1 20 . 1 1 77 77 LYS N N 77 116.614 116.614 118.093 -1.479 18027 13380 1 20 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.431 -0.210 18027 13381 1 20 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.523 -3.339 18027 13382 1 20 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.873 -6.590 18027 13383 1 20 . 1 1 77 77 LYS H H 77 7.275 7.275 7.526 -0.251 18027 13384 1 20 . 1 1 78 78 ASP N N 78 123.187 123.187 119.668 3.519 18027 13385 1 20 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.750 -0.299 18027 13386 1 20 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.934 -3.202 18027 13387 1 20 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.781 -3.390 18027 13388 1 20 . 1 1 78 78 ASP H H 78 8.181 8.181 7.684 0.497 18027 13389 1 20 . 1 1 79 79 THR N N 79 114.325 114.325 112.188 2.137 18027 13390 1 20 . 1 1 79 79 THR HA H 79 4.034 4.034 3.911 0.123 18027 13391 1 20 . 1 1 79 79 THR CA C 79 61.322 61.322 64.349 -3.027 18027 13392 1 20 . 1 1 79 79 THR CB C 79 66.147 66.147 67.121 -0.974 18027 13393 1 20 . 1 1 79 79 THR H H 79 8.377 8.377 8.359 0.018 18027 13394 1 20 . 1 1 80 80 ASP N N 80 120.844 120.844 120.132 0.712 18027 13395 1 20 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.824 -0.519 18027 13396 1 20 . 1 1 80 80 ASP CA C 80 51.672 51.672 53.660 -1.988 18027 13397 1 20 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.978 -3.387 18027 13398 1 20 . 1 1 80 80 ASP H H 80 8.223 8.223 8.531 -0.308 18027 13399 1 20 . 1 1 81 81 SER N N 81 115.729 115.729 114.815 0.914 18027 13400 1 20 . 1 1 81 81 SER HA H 81 3.911 3.911 4.815 -0.904 18027 13401 1 20 . 1 1 81 81 SER CA C 81 57.939 57.939 59.905 -1.966 18027 13402 1 20 . 1 1 81 81 SER CB C 81 60.664 60.664 62.917 -2.253 18027 13403 1 20 . 1 1 81 81 SER H H 81 7.785 7.785 8.221 -0.436 18027 13404 1 20 . 1 1 82 82 GLU N N 82 121.960 121.960 122.751 -0.791 18027 13405 1 20 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.181 -0.285 18027 13406 1 20 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.823 -1.994 18027 13407 1 20 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.376 -2.751 18027 13408 1 20 . 1 1 82 82 GLU H H 82 8.208 8.208 8.492 -0.284 18027 13409 1 20 . 1 1 83 83 GLU N N 83 118.040 118.040 117.325 0.715 18027 13410 1 20 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.183 -0.345 18027 13411 1 20 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.655 -2.710 18027 13412 1 20 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.240 -2.408 18027 13413 1 20 . 1 1 83 83 GLU H H 83 7.898 7.898 7.824 0.074 18027 13414 1 20 . 1 1 84 84 GLU N N 84 118.825 118.825 119.907 -1.082 18027 13415 1 20 . 1 1 84 84 GLU CA C 84 54.758 54.758 59.315 -4.557 18027 13416 1 20 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.959 0.893 18027 13417 1 20 . 1 1 84 84 GLU H H 84 8.154 8.154 7.712 0.442 18027 13418 1 20 . 1 1 85 85 ILE N N 85 119.310 119.310 119.393 -0.083 18027 13419 1 20 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.853 -0.086 18027 13420 1 20 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.400 -4.542 18027 13421 1 20 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.675 -2.026 18027 13422 1 20 . 1 1 85 85 ILE H H 85 7.793 7.793 7.502 0.291 18027 13423 1 20 . 1 1 86 86 ARG N N 86 120.640 120.640 119.774 0.866 18027 13424 1 20 . 1 1 86 86 ARG HA H 86 3.925 3.925 4.094 -0.169 18027 13425 1 20 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.715 -2.450 18027 13426 1 20 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.448 -2.594 18027 13427 1 20 . 1 1 86 86 ARG H H 86 8.177 8.177 7.882 0.295 18027 13428 1 20 . 1 1 87 87 GLU N N 87 119.448 119.448 119.483 -0.035 18027 13429 1 20 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.243 -0.391 18027 13430 1 20 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.706 -2.063 18027 13431 1 20 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.462 -3.408 18027 13432 1 20 . 1 1 87 87 GLU H H 87 7.828 7.828 7.668 0.160 18027 13433 1 20 . 1 1 88 88 ALA N N 88 122.592 122.592 122.100 0.492 18027 13434 1 20 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.346 -0.318 18027 13435 1 20 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.492 -1.896 18027 13436 1 20 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.581 -3.949 18027 13437 1 20 . 1 1 88 88 ALA H H 88 8.283 8.283 7.574 0.709 18027 13438 1 20 . 1 1 89 89 PHE N N 89 119.245 119.245 119.501 -0.256 18027 13439 1 20 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.023 -0.909 18027 13440 1 20 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.480 -1.935 18027 13441 1 20 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.819 -3.484 18027 13442 1 20 . 1 1 89 89 PHE H H 89 8.423 8.423 8.191 0.232 18027 13443 1 20 . 1 1 90 90 ARG N N 90 117.455 117.455 118.531 -1.076 18027 13444 1 20 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.329 -0.480 18027 13445 1 20 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.971 -2.658 18027 13446 1 20 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.773 -2.576 18027 13447 1 20 . 1 1 90 90 ARG H H 90 7.840 7.840 7.817 0.023 18027 13448 1 20 . 1 1 91 91 VAL N N 91 118.698 118.698 118.826 -0.128 18027 13449 1 20 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.853 -0.601 18027 13450 1 20 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.435 -1.102 18027 13451 1 20 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.188 -3.078 18027 13452 1 20 . 1 1 91 91 VAL H H 91 7.262 7.262 7.360 -0.098 18027 13453 1 20 . 1 1 92 92 PHE N N 92 112.495 112.495 118.053 -5.558 18027 13454 1 20 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.351 -0.417 18027 13455 1 20 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.504 -3.323 18027 13456 1 20 . 1 1 92 92 PHE CB C 92 39.419 39.419 40.366 -0.947 18027 13457 1 20 . 1 1 92 92 PHE H H 92 6.693 6.693 7.405 -0.712 18027 13458 1 20 . 1 1 93 93 ASP N N 93 117.214 117.214 117.598 -0.384 18027 13459 1 20 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.716 -0.282 18027 13460 1 20 . 1 1 93 93 ASP CA C 93 49.781 49.781 53.000 -3.219 18027 13461 1 20 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.486 -3.037 18027 13462 1 20 . 1 1 93 93 ASP H H 93 7.954 7.954 8.191 -0.237 18027 13463 1 20 . 1 1 94 94 LYS N N 94 125.565 125.565 123.691 1.874 18027 13464 1 20 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.205 -0.426 18027 13465 1 20 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.584 -2.905 18027 13466 1 20 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.417 -2.822 18027 13467 1 20 . 1 1 94 94 LYS H H 94 7.671 7.671 8.141 -0.470 18027 13468 1 20 . 1 1 95 95 ASP N N 95 114.041 114.041 118.792 -4.751 18027 13469 1 20 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.672 -0.264 18027 13470 1 20 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.448 -3.235 18027 13471 1 20 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.252 -4.689 18027 13472 1 20 . 1 1 95 95 ASP H H 95 7.944 7.944 7.936 0.008 18027 13473 1 20 . 1 1 96 96 GLY N N 96 108.849 108.849 108.769 0.080 18027 13474 1 20 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.779 -1.580 18027 13475 1 20 . 1 1 96 96 GLY H H 96 7.529 7.529 8.022 -0.493 18027 13476 1 20 . 1 1 97 97 ASN N N 97 119.410 119.410 119.909 -0.499 18027 13477 1 20 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.534 -0.110 18027 13478 1 20 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.401 -3.719 18027 13479 1 20 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.437 -1.874 18027 13480 1 20 . 1 1 97 97 ASN H H 97 8.234 8.234 8.387 -0.153 18027 13481 1 20 . 1 1 98 98 GLY N N 98 112.073 112.073 105.856 6.217 18027 13482 1 20 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.304 -3.128 18027 13483 1 20 . 1 1 98 98 GLY H H 98 10.298 10.298 8.158 2.140 18027 13484 1 20 . 1 1 99 99 TYR N N 99 116.011 116.011 117.042 -1.031 18027 13485 1 20 . 1 1 99 99 TYR HA H 99 4.818 4.818 4.897 -0.079 18027 13486 1 20 . 1 1 99 99 TYR CA C 99 53.681 53.681 55.884 -2.203 18027 13487 1 20 . 1 1 99 99 TYR CB C 99 39.875 39.875 40.242 -0.367 18027 13488 1 20 . 1 1 99 99 TYR H H 99 7.497 7.497 7.145 0.352 18027 13489 1 20 . 1 1 100 100 ILE N N 100 126.793 126.793 120.412 6.381 18027 13490 1 20 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.265 0.158 18027 13491 1 20 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.370 -1.741 18027 13492 1 20 . 1 1 100 100 ILE CB C 100 35.748 35.748 39.351 -3.603 18027 13493 1 20 . 1 1 100 100 ILE H H 100 9.833 9.833 8.348 1.485 18027 13494 1 20 . 1 1 101 101 SER N N 101 123.825 123.825 123.293 0.532 18027 13495 1 20 . 1 1 101 101 SER HA H 101 4.657 4.657 4.918 -0.261 18027 13496 1 20 . 1 1 101 101 SER CA C 101 53.060 53.060 56.893 -3.833 18027 13497 1 20 . 1 1 101 101 SER CB C 101 64.091 64.091 64.761 -0.670 18027 13498 1 20 . 1 1 101 101 SER H H 101 8.870 8.870 8.847 0.023 18027 13499 1 20 . 1 1 102 102 ALA N N 102 122.909 122.909 128.188 -5.279 18027 13500 1 20 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.103 -0.339 18027 13501 1 20 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.116 -2.066 18027 13502 1 20 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.676 -3.701 18027 13503 1 20 . 1 1 102 102 ALA H H 102 9.209 9.209 8.601 0.608 18027 13504 1 20 . 1 1 103 103 ALA N N 103 118.692 118.692 120.540 -1.848 18027 13505 1 20 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.115 -0.241 18027 13506 1 20 . 1 1 103 103 ALA CA C 103 52.485 52.485 55.193 -2.708 18027 13507 1 20 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.398 -3.195 18027 13508 1 20 . 1 1 103 103 ALA H H 103 8.146 8.146 7.890 0.256 18027 13509 1 20 . 1 1 104 104 GLU N N 104 120.098 120.098 118.781 1.317 18027 13510 1 20 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.153 -0.290 18027 13511 1 20 . 1 1 104 104 GLU CA C 104 56.575 56.575 59.153 -2.578 18027 13512 1 20 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.601 -4.232 18027 13513 1 20 . 1 1 104 104 GLU H H 104 7.832 7.832 8.081 -0.249 18027 13514 1 20 . 1 1 105 105 LEU N N 105 121.466 121.466 118.643 2.823 18027 13515 1 20 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.249 -0.133 18027 13516 1 20 . 1 1 105 105 LEU CA C 105 55.696 55.696 58.145 -2.449 18027 13517 1 20 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.583 -2.621 18027 13518 1 20 . 1 1 105 105 LEU H H 105 8.300 8.300 7.607 0.693 18027 13519 1 20 . 1 1 106 106 ARG N N 106 118.978 118.978 119.137 -0.159 18027 13520 1 20 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.891 -0.039 18027 13521 1 20 . 1 1 106 106 ARG CA C 106 57.434 57.434 60.175 -2.741 18027 13522 1 20 . 1 1 106 106 ARG CB C 106 27.084 27.084 30.077 -2.993 18027 13523 1 20 . 1 1 106 106 ARG H H 106 8.882 8.882 8.212 0.670 18027 13524 1 20 . 1 1 107 107 HIS N N 107 118.543 118.543 118.232 0.311 18027 13525 1 20 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.318 -0.118 18027 13526 1 20 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.605 -2.780 18027 13527 1 20 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.793 -3.053 18027 13528 1 20 . 1 1 107 107 HIS H H 107 7.991 7.991 7.794 0.197 18027 13529 1 20 . 1 1 108 108 VAL N N 108 118.687 118.687 118.493 0.194 18027 13530 1 20 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.730 -0.638 18027 13531 1 20 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.155 -1.945 18027 13532 1 20 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.482 -2.572 18027 13533 1 20 . 1 1 108 108 VAL H H 108 7.425 7.425 7.537 -0.112 18027 13534 1 20 . 1 1 109 109 MET N N 109 115.725 115.725 116.712 -0.987 18027 13535 1 20 . 1 1 109 109 MET HA H 109 3.944 3.944 4.235 -0.291 18027 13536 1 20 . 1 1 109 109 MET CA C 109 55.212 55.212 58.726 -3.514 18027 13537 1 20 . 1 1 109 109 MET CB C 109 27.425 27.425 32.848 -5.423 18027 13538 1 20 . 1 1 109 109 MET H H 109 7.972 7.972 7.493 0.479 18027 13539 1 20 . 1 1 110 110 THR N N 110 116.999 116.999 114.619 2.380 18027 13540 1 20 . 1 1 110 110 THR HA H 110 3.852 3.852 4.555 -0.703 18027 13541 1 20 . 1 1 110 110 THR CA C 110 63.918 63.918 64.566 -0.648 18027 13542 1 20 . 1 1 110 110 THR CB C 110 65.844 65.844 68.276 -2.432 18027 13543 1 20 . 1 1 110 110 THR H H 110 8.691 8.691 8.244 0.447 18027 13544 1 20 . 1 1 111 111 ASN N N 111 123.893 123.893 120.775 3.118 18027 13545 1 20 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.599 -0.358 18027 13546 1 20 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.212 -2.264 18027 13547 1 20 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.527 -3.563 18027 13548 1 20 . 1 1 111 111 ASN H H 111 7.911 7.911 8.085 -0.174 18027 13549 1 20 . 1 1 112 112 LEU N N 112 119.244 119.244 117.628 1.616 18027 13550 1 20 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.136 -0.064 18027 13551 1 20 . 1 1 112 112 LEU CA C 112 52.901 52.901 54.637 -1.736 18027 13552 1 20 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.112 -2.579 18027 13553 1 20 . 1 1 112 112 LEU H H 112 7.618 7.618 7.382 0.236 18027 13554 1 20 . 1 1 113 113 GLY N N 113 107.263 107.263 105.847 1.416 18027 13555 1 20 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.557 -2.120 18027 13556 1 20 . 1 1 113 113 GLY H H 113 7.743 7.743 7.343 0.400 18027 13557 1 20 . 1 1 114 114 GLU N N 114 120.073 120.073 118.817 1.256 18027 13558 1 20 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.533 -0.243 18027 13559 1 20 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.888 -3.362 18027 13560 1 20 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.526 -4.987 18027 13561 1 20 . 1 1 114 114 GLU H H 114 7.857 7.857 7.860 -0.003 18027 13562 1 20 . 1 1 115 115 LYS N N 115 124.142 124.142 124.315 -0.173 18027 13563 1 20 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.796 -0.576 18027 13564 1 20 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.766 -2.872 18027 13565 1 20 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.332 -3.851 18027 13566 1 20 . 1 1 115 115 LYS H H 115 8.377 8.377 8.576 -0.199 18027 13567 1 20 . 1 1 116 116 LEU N N 116 125.240 125.240 125.267 -0.027 18027 13568 1 20 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.676 -0.204 18027 13569 1 20 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.359 -1.921 18027 13570 1 20 . 1 1 116 116 LEU CB C 116 40.675 40.675 45.014 -4.339 18027 13571 1 20 . 1 1 116 116 LEU H H 116 8.002 8.002 8.492 -0.489 18027 13572 1 20 . 1 1 117 117 THR N N 117 113.520 113.520 112.760 0.760 18027 13573 1 20 . 1 1 117 117 THR CA C 117 57.922 57.922 60.611 -2.689 18027 13574 1 20 . 1 1 117 117 THR CB C 117 68.352 68.352 70.438 -2.086 18027 13575 1 20 . 1 1 117 117 THR H H 117 8.927 8.927 8.535 0.392 18027 13576 1 20 . 1 1 118 118 ASP N N 118 120.859 120.859 121.167 -0.308 18027 13577 1 20 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.420 -0.377 18027 13578 1 20 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.469 -2.304 18027 13579 1 20 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.823 -4.049 18027 13580 1 20 . 1 1 118 118 ASP H H 118 8.754 8.754 8.765 -0.011 18027 13581 1 20 . 1 1 119 119 GLU N N 119 119.112 119.112 118.112 1.000 18027 13582 1 20 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.132 -0.205 18027 13583 1 20 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.209 -2.019 18027 13584 1 20 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.286 -3.003 18027 13585 1 20 . 1 1 119 119 GLU H H 119 8.507 8.507 8.881 -0.374 18027 13586 1 20 . 1 1 120 120 GLU N N 120 120.059 120.059 118.505 1.554 18027 13587 1 20 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.199 -0.341 18027 13588 1 20 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.223 -1.764 18027 13589 1 20 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.796 -2.279 18027 13590 1 20 . 1 1 120 120 GLU H H 120 7.809 7.809 7.684 0.125 18027 13591 1 20 . 1 1 121 121 VAL N N 121 120.512 120.512 118.660 1.852 18027 13592 1 20 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.721 -0.249 18027 13593 1 20 . 1 1 121 121 VAL CA C 121 64.082 64.082 65.929 -1.847 18027 13594 1 20 . 1 1 121 121 VAL CB C 121 28.567 28.567 32.040 -3.473 18027 13595 1 20 . 1 1 121 121 VAL H H 121 7.898 7.898 7.435 0.463 18027 13596 1 20 . 1 1 122 122 ASP N N 122 119.857 119.857 120.412 -0.555 18027 13597 1 20 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.342 -0.174 18027 13598 1 20 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.700 -2.794 18027 13599 1 20 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.867 -3.390 18027 13600 1 20 . 1 1 122 122 ASP H H 122 7.897 7.897 7.930 -0.033 18027 13601 1 20 . 1 1 123 123 GLU N N 123 119.630 119.630 118.443 1.187 18027 13602 1 20 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.089 -0.251 18027 13603 1 20 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.682 -1.605 18027 13604 1 20 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.655 -3.486 18027 13605 1 20 . 1 1 123 123 GLU H H 123 7.963 7.963 7.784 0.179 18027 13606 1 20 . 1 1 124 124 MET N N 124 119.144 119.144 117.234 1.910 18027 13607 1 20 . 1 1 124 124 MET HA H 124 3.859 3.859 4.210 -0.351 18027 13608 1 20 . 1 1 124 124 MET CA C 124 56.508 56.508 58.703 -2.195 18027 13609 1 20 . 1 1 124 124 MET CB C 124 29.253 29.253 33.164 -3.911 18027 13610 1 20 . 1 1 124 124 MET H H 124 7.631 7.631 7.675 -0.044 18027 13611 1 20 . 1 1 125 125 ILE N N 125 117.557 117.557 119.535 -1.978 18027 13612 1 20 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.920 -0.636 18027 13613 1 20 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.215 -3.076 18027 13614 1 20 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.701 -3.651 18027 13615 1 20 . 1 1 125 125 ILE H H 125 7.669 7.669 7.459 0.210 18027 13616 1 20 . 1 1 126 126 ARG N N 126 118.414 118.414 120.151 -1.737 18027 13617 1 20 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.179 -0.321 18027 13618 1 20 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.373 -1.571 18027 13619 1 20 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.293 -1.868 18027 13620 1 20 . 1 1 126 126 ARG H H 126 7.952 7.952 7.566 0.386 18027 13621 1 20 . 1 1 127 127 GLU N N 127 116.143 116.143 118.076 -1.933 18027 13622 1 20 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.263 -0.405 18027 13623 1 20 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.379 -2.163 18027 13624 1 20 . 1 1 127 127 GLU CB C 127 27.197 27.197 29.744 -2.547 18027 13625 1 20 . 1 1 127 127 GLU H H 127 7.294 7.294 8.029 -0.735 18027 13626 1 20 . 1 1 128 128 ALA N N 128 116.994 116.994 120.086 -3.092 18027 13627 1 20 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.337 0.116 18027 13628 1 20 . 1 1 128 128 ALA CA C 128 48.172 48.172 52.517 -4.345 18027 13629 1 20 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.552 -0.780 18027 13630 1 20 . 1 1 128 128 ALA H H 128 7.110 7.110 7.284 -0.174 18027 13631 1 20 . 1 1 129 129 ASP N N 129 117.846 117.846 121.137 -3.291 18027 13632 1 20 . 1 1 129 129 ASP HA H 129 4.442 4.442 5.110 -0.668 18027 13633 1 20 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.392 -2.759 18027 13634 1 20 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.721 -2.216 18027 13635 1 20 . 1 1 129 129 ASP H H 129 7.508 7.508 8.579 -1.071 18027 13636 1 20 . 1 1 130 130 ILE N N 130 128.118 128.118 121.403 6.715 18027 13637 1 20 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.058 -0.308 18027 13638 1 20 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.675 -3.092 18027 13639 1 20 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.156 -2.393 18027 13640 1 20 . 1 1 130 130 ILE H H 130 8.168 8.168 8.519 -0.351 18027 13641 1 20 . 1 1 131 131 ASP N N 131 116.572 116.572 120.391 -3.819 18027 13642 1 20 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.584 -0.288 18027 13643 1 20 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.727 -2.605 18027 13644 1 20 . 1 1 131 131 ASP CB C 131 37.477 37.477 41.172 -3.695 18027 13645 1 20 . 1 1 131 131 ASP H H 131 8.136 8.136 8.284 -0.148 18027 13646 1 20 . 1 1 132 132 GLY N N 132 108.411 108.411 109.193 -0.782 18027 13647 1 20 . 1 1 132 132 GLY CA C 132 44.507 44.507 45.968 -1.461 18027 13648 1 20 . 1 1 132 132 GLY H H 132 7.460 7.460 8.316 -0.856 18027 13649 1 20 . 1 1 133 133 ASP N N 133 120.424 120.424 119.912 0.512 18027 13650 1 20 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.494 -0.198 18027 13651 1 20 . 1 1 133 133 ASP CA C 133 50.853 50.853 54.299 -3.446 18027 13652 1 20 . 1 1 133 133 ASP H H 133 8.177 8.177 8.254 -0.077 18027 13653 1 20 . 1 1 134 134 GLY N N 134 112.396 112.396 108.114 4.282 18027 13654 1 20 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.284 -2.231 18027 13655 1 20 . 1 1 134 134 GLY H H 134 10.043 10.043 7.799 2.244 18027 13656 1 20 . 1 1 135 135 GLN N N 135 115.588 115.588 118.834 -3.246 18027 13657 1 20 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.171 -0.367 18027 13658 1 20 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.719 -3.304 18027 13659 1 20 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.488 -3.207 18027 13660 1 20 . 1 1 135 135 GLN H H 135 7.866 7.866 7.575 0.291 18027 13661 1 20 . 1 1 136 136 VAL N N 136 124.910 124.910 122.328 2.582 18027 13662 1 20 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.390 0.609 18027 13663 1 20 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.857 -2.150 18027 13664 1 20 . 1 1 136 136 VAL CB C 136 31.080 31.080 33.018 -1.938 18027 13665 1 20 . 1 1 136 136 VAL H H 136 8.856 8.856 8.820 0.036 18027 13666 1 20 . 1 1 137 137 ASN N N 137 129.009 129.009 123.814 5.195 18027 13667 1 20 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.155 0.018 18027 13668 1 20 . 1 1 137 137 ASN CA C 137 48.083 48.083 52.057 -3.974 18027 13669 1 20 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.417 -4.783 18027 13670 1 20 . 1 1 137 137 ASN H H 137 9.390 9.390 8.367 1.023 18027 13671 1 20 . 1 1 138 138 TYR N N 138 118.471 118.471 119.729 -1.258 18027 13672 1 20 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.381 0.097 18027 13673 1 20 . 1 1 138 138 TYR CA C 138 59.799 59.799 62.542 -2.744 18027 13674 1 20 . 1 1 138 138 TYR CB C 138 35.535 35.535 38.981 -3.446 18027 13675 1 20 . 1 1 138 138 TYR H H 138 8.075 8.075 9.305 -1.230 18027 13676 1 20 . 1 1 139 139 GLU N N 139 118.535 118.535 119.442 -0.907 18027 13677 1 20 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.146 -0.308 18027 13678 1 20 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.506 -1.974 18027 13679 1 20 . 1 1 139 139 GLU CB C 139 25.940 25.940 29.452 -3.512 18027 13680 1 20 . 1 1 139 139 GLU H H 139 7.925 7.925 8.330 -0.405 18027 13681 1 20 . 1 1 140 140 GLU N N 140 119.583 119.583 119.455 0.128 18027 13682 1 20 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.150 -0.301 18027 13683 1 20 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.717 -2.635 18027 13684 1 20 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.910 -3.399 18027 13685 1 20 . 1 1 140 140 GLU H H 140 8.664 8.664 8.472 0.192 18027 13686 1 20 . 1 1 141 141 PHE N N 141 123.810 123.810 120.278 3.532 18027 13687 1 20 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.131 -0.410 18027 13688 1 20 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.325 -2.233 18027 13689 1 20 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.321 -1.616 18027 13690 1 20 . 1 1 141 141 PHE H H 141 8.395 8.395 8.283 0.112 18027 13691 1 20 . 1 1 142 142 VAL N N 142 118.551 118.551 119.287 -0.736 18027 13692 1 20 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.600 -0.508 18027 13693 1 20 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.203 -2.021 18027 13694 1 20 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.326 -2.530 18027 13695 1 20 . 1 1 142 142 VAL H H 142 8.484 8.484 8.617 -0.133 18027 13696 1 20 . 1 1 143 143 GLN N N 143 119.672 119.672 117.870 1.802 18027 13697 1 20 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.003 -0.165 18027 13698 1 20 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.441 -2.168 18027 13699 1 20 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.416 -3.504 18027 13700 1 20 . 1 1 143 143 GLN H H 143 7.803 7.803 7.601 0.202 18027 13701 1 20 . 1 1 144 144 MET N N 144 116.710 116.710 115.686 1.024 18027 13702 1 20 . 1 1 144 144 MET HA H 144 3.943 3.943 4.165 -0.222 18027 13703 1 20 . 1 1 144 144 MET CA C 144 55.387 55.387 56.566 -1.179 18027 13704 1 20 . 1 1 144 144 MET CB C 144 29.709 29.709 31.919 -2.210 18027 13705 1 20 . 1 1 144 144 MET H H 144 7.322 7.322 7.399 -0.077 18027 13706 1 20 . 1 1 145 145 MET N N 145 114.879 114.879 113.652 1.227 18027 13707 1 20 . 1 1 145 145 MET HA H 145 4.062 4.062 4.524 -0.462 18027 13708 1 20 . 1 1 145 145 MET CA C 145 53.291 53.291 55.817 -2.526 18027 13709 1 20 . 1 1 145 145 MET CB C 145 29.253 29.253 32.977 -3.724 18027 13710 1 20 . 1 1 145 145 MET H H 145 7.467 7.467 7.470 -0.003 18027 13711 1 20 . 1 1 146 146 THR N N 146 108.698 108.698 112.469 -3.771 18027 13712 1 20 . 1 1 146 146 THR HA H 146 4.136 4.136 4.411 -0.275 18027 13713 1 20 . 1 1 146 146 THR CA C 146 59.201 59.201 61.428 -2.227 18027 13714 1 20 . 1 1 146 146 THR CB C 146 67.404 67.404 69.653 -2.249 18027 13715 1 20 . 1 1 146 146 THR H H 146 7.551 7.551 7.389 0.162 18027 13716 1 20 . 1 1 147 147 ALA N N 147 126.669 126.669 124.877 1.792 18027 13717 1 20 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.491 -0.346 18027 13718 1 20 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.944 -1.871 18027 13719 1 20 . 1 1 147 147 ALA CB C 147 16.345 16.345 20.056 -3.711 18027 13720 1 20 . 1 1 147 147 ALA H H 147 7.596 7.596 7.621 -0.025 18027 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 144 2.271 -0.119 2.275 18027 2 1 1 "Average Difference" HA 151 0.351 0.226 0.269 18027 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18027 4 1 1 "Average Difference" CA 143 2.590 2.433 0.893 18027 5 1 1 "Average Difference" CB 126 3.243 3.037 1.142 18027 6 1 1 "Average Difference" HN 144 0.560 -0.121 0.548 18027 7 1 2 "Average Difference" N 144 2.206 -0.211 2.204 18027 8 1 2 "Average Difference" HA 151 0.344 0.223 0.262 18027 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18027 10 1 2 "Average Difference" CA 143 2.611 2.458 0.883 18027 11 1 2 "Average Difference" CB 126 3.238 3.040 1.118 18027 12 1 2 "Average Difference" HN 144 0.556 -0.065 0.554 18027 13 1 3 "Average Difference" N 144 2.228 -0.237 2.223 18027 14 1 3 "Average Difference" HA 151 0.348 0.224 0.267 18027 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18027 16 1 3 "Average Difference" CA 143 2.555 2.387 0.914 18027 17 1 3 "Average Difference" CB 126 3.270 3.052 1.179 18027 18 1 3 "Average Difference" HN 144 0.557 -0.073 0.554 18027 19 1 4 "Average Difference" N 144 2.398 -0.200 2.398 18027 20 1 4 "Average Difference" HA 151 0.339 0.215 0.263 18027 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18027 22 1 4 "Average Difference" CA 143 2.615 2.452 0.914 18027 23 1 4 "Average Difference" CB 126 3.241 3.036 1.137 18027 24 1 4 "Average Difference" HN 144 0.571 -0.056 0.570 18027 25 1 5 "Average Difference" N 144 2.187 -0.195 2.186 18027 26 1 5 "Average Difference" HA 151 0.344 0.220 0.266 18027 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18027 28 1 5 "Average Difference" CA 143 2.637 2.490 0.873 18027 29 1 5 "Average Difference" CB 126 3.242 3.021 1.180 18027 30 1 5 "Average Difference" HN 144 0.608 -0.075 0.605 18027 31 1 6 "Average Difference" N 144 2.275 -0.289 2.264 18027 32 1 6 "Average Difference" HA 151 0.347 0.217 0.272 18027 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18027 34 1 6 "Average Difference" CA 143 2.637 2.444 0.994 18027 35 1 6 "Average Difference" CB 126 3.225 3.025 1.123 18027 36 1 6 "Average Difference" HN 144 0.581 -0.095 0.575 18027 37 1 7 "Average Difference" N 144 2.200 -0.252 2.193 18027 38 1 7 "Average Difference" HA 151 0.346 0.207 0.278 18027 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18027 40 1 7 "Average Difference" CA 143 2.588 2.404 0.961 18027 41 1 7 "Average Difference" CB 126 3.183 2.976 1.135 18027 42 1 7 "Average Difference" HN 144 0.582 -0.126 0.570 18027 43 1 8 "Average Difference" N 144 2.232 -0.197 2.231 18027 44 1 8 "Average Difference" HA 151 0.347 0.224 0.266 18027 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18027 46 1 8 "Average Difference" CA 143 2.625 2.463 0.913 18027 47 1 8 "Average Difference" CB 126 3.222 3.004 1.168 18027 48 1 8 "Average Difference" HN 144 0.564 -0.091 0.559 18027 49 1 9 "Average Difference" N 144 2.390 -0.221 2.388 18027 50 1 9 "Average Difference" HA 151 0.344 0.207 0.276 18027 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18027 52 1 9 "Average Difference" CA 143 2.683 2.506 0.961 18027 53 1 9 "Average Difference" CB 126 3.244 3.024 1.179 18027 54 1 9 "Average Difference" HN 144 0.566 -0.063 0.564 18027 55 1 10 "Average Difference" N 144 2.254 -0.205 2.252 18027 56 1 10 "Average Difference" HA 151 0.354 0.229 0.270 18027 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18027 58 1 10 "Average Difference" CA 143 2.660 2.499 0.915 18027 59 1 10 "Average Difference" CB 126 3.257 3.041 1.170 18027 60 1 10 "Average Difference" HN 144 0.568 -0.094 0.562 18027 61 1 11 "Average Difference" N 144 2.342 -0.076 2.349 18027 62 1 11 "Average Difference" HA 151 0.340 0.216 0.264 18027 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18027 64 1 11 "Average Difference" CA 143 2.615 2.424 0.984 18027 65 1 11 "Average Difference" CB 126 3.218 3.018 1.121 18027 66 1 11 "Average Difference" HN 144 0.575 -0.093 0.570 18027 67 1 12 "Average Difference" N 144 2.364 -0.143 2.368 18027 68 1 12 "Average Difference" HA 151 0.354 0.220 0.278 18027 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18027 70 1 12 "Average Difference" CA 143 2.639 2.455 0.972 18027 71 1 12 "Average Difference" CB 126 3.246 3.019 1.199 18027 72 1 12 "Average Difference" HN 144 0.575 -0.088 0.570 18027 73 1 13 "Average Difference" N 144 2.464 -0.075 2.471 18027 74 1 13 "Average Difference" HA 151 0.349 0.220 0.271 18027 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18027 76 1 13 "Average Difference" CA 143 2.637 2.465 0.938 18027 77 1 13 "Average Difference" CB 126 3.244 3.034 1.152 18027 78 1 13 "Average Difference" HN 144 0.554 -0.067 0.552 18027 79 1 14 "Average Difference" N 144 2.298 -0.035 2.306 18027 80 1 14 "Average Difference" HA 151 0.333 0.225 0.246 18027 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18027 82 1 14 "Average Difference" CA 143 2.640 2.455 0.976 18027 83 1 14 "Average Difference" CB 126 3.228 3.027 1.124 18027 84 1 14 "Average Difference" HN 144 0.574 -0.073 0.571 18027 85 1 15 "Average Difference" N 144 2.373 -0.241 2.369 18027 86 1 15 "Average Difference" HA 151 0.350 0.223 0.271 18027 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18027 88 1 15 "Average Difference" CA 143 2.639 2.465 0.945 18027 89 1 15 "Average Difference" CB 126 3.232 3.037 1.110 18027 90 1 15 "Average Difference" HN 144 0.557 -0.110 0.548 18027 91 1 16 "Average Difference" N 144 2.262 -0.125 2.267 18027 92 1 16 "Average Difference" HA 151 0.343 0.227 0.258 18027 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18027 94 1 16 "Average Difference" CA 143 2.642 2.499 0.861 18027 95 1 16 "Average Difference" CB 126 3.265 3.064 1.131 18027 96 1 16 "Average Difference" HN 144 0.573 -0.097 0.567 18027 97 1 17 "Average Difference" N 144 2.319 -0.106 2.325 18027 98 1 17 "Average Difference" HA 151 0.342 0.215 0.267 18027 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18027 100 1 17 "Average Difference" CA 143 2.677 2.507 0.940 18027 101 1 17 "Average Difference" CB 126 3.198 2.974 1.181 18027 102 1 17 "Average Difference" HN 144 0.574 -0.088 0.569 18027 103 1 18 "Average Difference" N 144 2.318 -0.153 2.321 18027 104 1 18 "Average Difference" HA 151 0.348 0.222 0.269 18027 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18027 106 1 18 "Average Difference" CA 143 2.629 2.482 0.868 18027 107 1 18 "Average Difference" CB 126 3.223 3.027 1.112 18027 108 1 18 "Average Difference" HN 144 0.540 -0.069 0.537 18027 109 1 19 "Average Difference" N 144 2.363 -0.200 2.363 18027 110 1 19 "Average Difference" HA 151 0.341 0.205 0.274 18027 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18027 112 1 19 "Average Difference" CA 143 2.617 2.445 0.936 18027 113 1 19 "Average Difference" CB 126 3.125 2.935 1.077 18027 114 1 19 "Average Difference" HN 144 0.598 -0.116 0.588 18027 115 1 20 "Average Difference" N 144 2.290 -0.066 2.297 18027 116 1 20 "Average Difference" HA 151 0.345 0.223 0.264 18027 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18027 118 1 20 "Average Difference" CA 143 2.621 2.467 0.888 18027 119 1 20 "Average Difference" CB 126 3.269 3.058 1.162 18027 120 1 20 "Average Difference" HN 144 0.585 -0.074 0.582 18027 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 18027 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP N N 2 120.442 120.442 120.430 0.012 18027 2 1 . 1 1 2 2 ASP HA H 2 4.453 4.453 4.676 -0.223 18027 3 1 . 1 1 2 2 ASP CA C 2 51.929 51.929 54.567 -2.638 18027 4 1 . 1 1 2 2 ASP CB C 2 38.505 38.505 41.676 -3.171 18027 5 1 . 1 1 2 2 ASP H H 2 8.521 8.521 8.504 0.017 18027 6 1 . 1 1 3 3 GLN N N 3 119.769 119.769 119.916 -0.147 18027 7 1 . 1 1 3 3 GLN HA H 3 4.218 4.218 4.512 -0.294 18027 8 1 . 1 1 3 3 GLN CA C 3 52.686 52.686 55.214 -2.528 18027 9 1 . 1 1 3 3 GLN H H 3 8.199 8.199 8.086 0.113 18027 10 1 . 1 1 4 4 LEU N N 4 120.939 120.939 123.263 -2.324 18027 11 1 . 1 1 4 4 LEU HA H 4 4.483 4.483 4.599 -0.116 18027 12 1 . 1 1 4 4 LEU CA C 4 51.584 51.584 54.568 -2.984 18027 13 1 . 1 1 4 4 LEU CB C 4 40.561 40.561 43.001 -2.440 18027 14 1 . 1 1 4 4 LEU H H 4 7.510 7.510 8.462 -0.952 18027 15 1 . 1 1 5 5 THR N N 5 112.777 112.777 114.612 -1.835 18027 16 1 . 1 1 5 5 THR HA H 5 4.253 4.253 4.470 -0.217 18027 17 1 . 1 1 5 5 THR CA C 5 57.873 57.873 61.465 -3.592 18027 18 1 . 1 1 5 5 THR CB C 5 68.203 68.203 69.877 -1.674 18027 19 1 . 1 1 5 5 THR H H 5 8.576 8.576 8.213 0.363 18027 20 1 . 1 1 6 6 GLU N N 6 120.254 120.254 120.196 0.058 18027 21 1 . 1 1 6 6 GLU HA H 6 3.794 3.794 4.089 -0.295 18027 22 1 . 1 1 6 6 GLU CA C 6 57.645 57.645 59.212 -1.567 18027 23 1 . 1 1 6 6 GLU CB C 6 26.286 26.286 29.243 -2.957 18027 24 1 . 1 1 6 6 GLU H H 6 8.874 8.874 8.758 0.116 18027 25 1 . 1 1 7 7 GLU N N 7 119.637 119.637 119.154 0.483 18027 26 1 . 1 1 7 7 GLU HA H 7 3.896 3.896 4.179 -0.283 18027 27 1 . 1 1 7 7 GLU CA C 7 57.176 57.176 59.015 -1.839 18027 28 1 . 1 1 7 7 GLU CB C 7 26.054 26.054 29.384 -3.330 18027 29 1 . 1 1 7 7 GLU H H 7 8.536 8.536 8.370 0.166 18027 30 1 . 1 1 8 8 GLN N N 8 120.086 120.086 118.988 1.098 18027 31 1 . 1 1 8 8 GLN HA H 8 3.838 3.838 4.305 -0.467 18027 32 1 . 1 1 8 8 GLN CA C 8 56.411 56.411 58.069 -1.658 18027 33 1 . 1 1 8 8 GLN CB C 8 26.625 26.625 29.101 -2.476 18027 34 1 . 1 1 8 8 GLN H H 8 7.499 7.499 7.796 -0.297 18027 35 1 . 1 1 9 9 ILE N N 9 120.295 120.295 119.691 0.604 18027 36 1 . 1 1 9 9 ILE HA H 9 3.667 3.667 3.834 -0.167 18027 37 1 . 1 1 9 9 ILE CA C 9 64.046 64.046 64.611 -0.565 18027 38 1 . 1 1 9 9 ILE H H 9 8.405 8.405 8.745 -0.340 18027 39 1 . 1 1 10 10 ALA N N 10 121.503 121.503 121.134 0.369 18027 40 1 . 1 1 10 10 ALA HA H 10 3.911 3.911 4.136 -0.225 18027 41 1 . 1 1 10 10 ALA CA C 10 52.657 52.657 55.150 -2.493 18027 42 1 . 1 1 10 10 ALA CB C 10 14.975 14.975 18.175 -3.200 18027 43 1 . 1 1 10 10 ALA H H 10 7.949 7.949 7.632 0.317 18027 44 1 . 1 1 11 11 GLU N N 11 118.352 118.352 118.738 -0.386 18027 45 1 . 1 1 11 11 GLU HA H 11 3.838 3.838 4.141 -0.303 18027 46 1 . 1 1 11 11 GLU CA C 11 56.673 56.673 58.677 -2.004 18027 47 1 . 1 1 11 11 GLU CB C 11 26.968 26.968 29.588 -2.620 18027 48 1 . 1 1 11 11 GLU H H 11 7.700 7.700 7.893 -0.193 18027 49 1 . 1 1 12 12 PHE N N 12 117.277 117.277 120.680 -3.403 18027 50 1 . 1 1 12 12 PHE HA H 12 4.477 4.477 4.320 0.157 18027 51 1 . 1 1 12 12 PHE CA C 12 59.655 59.655 61.806 -2.151 18027 52 1 . 1 1 12 12 PHE CB C 12 35.535 35.535 39.201 -3.666 18027 53 1 . 1 1 12 12 PHE H H 12 8.211 8.211 7.810 0.401 18027 54 1 . 1 1 13 13 LYS N N 13 122.928 122.928 119.198 3.730 18027 55 1 . 1 1 13 13 LYS HA H 13 3.925 3.925 3.756 0.169 18027 56 1 . 1 1 13 13 LYS CA C 13 57.154 57.154 59.381 -2.227 18027 57 1 . 1 1 13 13 LYS CB C 13 26.169 26.169 32.092 -5.923 18027 58 1 . 1 1 13 13 LYS H H 13 8.925 8.925 7.735 1.190 18027 59 1 . 1 1 14 14 GLU N N 14 119.706 119.706 117.776 1.930 18027 60 1 . 1 1 14 14 GLU HA H 14 3.858 3.858 4.169 -0.311 18027 61 1 . 1 1 14 14 GLU CA C 14 56.336 56.336 58.726 -2.390 18027 62 1 . 1 1 14 14 GLU CB C 14 26.283 26.283 29.842 -3.559 18027 63 1 . 1 1 14 14 GLU H H 14 7.824 7.824 7.733 0.091 18027 64 1 . 1 1 15 15 ALA N N 15 123.880 123.880 122.174 1.706 18027 65 1 . 1 1 15 15 ALA HA H 15 3.867 3.867 4.274 -0.407 18027 66 1 . 1 1 15 15 ALA CA C 15 52.835 52.835 54.344 -1.509 18027 67 1 . 1 1 15 15 ALA CB C 15 15.203 15.203 18.549 -3.346 18027 68 1 . 1 1 15 15 ALA H H 15 8.124 8.124 8.029 0.095 18027 69 1 . 1 1 16 16 PHE N N 16 118.972 118.972 118.726 0.246 18027 70 1 . 1 1 16 16 PHE HA H 16 3.132 3.132 4.132 -1.000 18027 71 1 . 1 1 16 16 PHE CA C 16 58.983 58.983 59.598 -0.615 18027 72 1 . 1 1 16 16 PHE CB C 16 36.449 36.449 39.412 -2.963 18027 73 1 . 1 1 16 16 PHE H H 16 8.446 8.446 8.172 0.274 18027 74 1 . 1 1 17 17 SER N N 17 114.737 114.737 114.190 0.547 18027 75 1 . 1 1 17 17 SER HA H 17 3.902 3.902 4.322 -0.420 18027 76 1 . 1 1 17 17 SER CA C 17 58.999 58.999 60.513 -1.514 18027 77 1 . 1 1 17 17 SER CB C 17 60.436 60.436 63.031 -2.595 18027 78 1 . 1 1 17 17 SER H H 17 7.874 7.874 7.740 0.134 18027 79 1 . 1 1 18 18 LEU N N 18 120.225 120.225 120.502 -0.277 18027 80 1 . 1 1 18 18 LEU HA H 18 3.785 3.785 4.061 -0.276 18027 81 1 . 1 1 18 18 LEU CA C 18 54.729 54.729 57.259 -2.530 18027 82 1 . 1 1 18 18 LEU CB C 18 38.162 38.162 41.970 -3.808 18027 83 1 . 1 1 18 18 LEU H H 18 7.183 7.183 7.359 -0.176 18027 84 1 . 1 1 19 19 PHE N N 19 112.357 112.357 113.436 -1.079 18027 85 1 . 1 1 19 19 PHE CA C 19 56.424 56.424 58.875 -2.452 18027 86 1 . 1 1 19 19 PHE H H 19 6.977 6.977 7.544 -0.567 18027 87 1 . 1 1 20 20 ASP N N 20 117.274 117.274 119.944 -2.670 18027 88 1 . 1 1 20 20 ASP HA H 20 4.432 4.432 4.911 -0.479 18027 89 1 . 1 1 20 20 ASP CA C 20 49.512 49.512 52.814 -3.302 18027 90 1 . 1 1 20 20 ASP CB C 20 36.677 36.677 40.272 -3.595 18027 91 1 . 1 1 20 20 ASP H H 20 7.446 7.446 7.616 -0.170 18027 92 1 . 1 1 21 21 LYS N N 21 124.296 124.296 121.374 2.921 18027 93 1 . 1 1 21 21 LYS HA H 21 3.838 3.838 4.205 -0.367 18027 94 1 . 1 1 21 21 LYS CA C 21 55.679 55.679 57.560 -1.881 18027 95 1 . 1 1 21 21 LYS CB C 21 29.595 29.595 32.244 -2.649 18027 96 1 . 1 1 21 21 LYS H H 21 7.520 7.520 8.053 -0.533 18027 97 1 . 1 1 22 22 ASP N N 22 113.761 113.761 118.463 -4.702 18027 98 1 . 1 1 22 22 ASP HA H 22 4.434 4.434 4.690 -0.256 18027 99 1 . 1 1 22 22 ASP CA C 22 50.061 50.061 54.824 -4.763 18027 100 1 . 1 1 22 22 ASP CB C 22 36.563 36.563 41.533 -4.970 18027 101 1 . 1 1 22 22 ASP H H 22 7.819 7.819 8.011 -0.192 18027 102 1 . 1 1 23 23 GLY N N 23 108.838 108.838 107.376 1.462 18027 103 1 . 1 1 23 23 GLY CA C 23 44.305 44.305 45.719 -1.414 18027 104 1 . 1 1 23 23 GLY H H 23 7.497 7.497 8.293 -0.796 18027 105 1 . 1 1 24 24 ASP N N 24 120.790 120.790 120.256 0.534 18027 106 1 . 1 1 24 24 ASP HA H 24 4.350 4.350 4.743 -0.393 18027 107 1 . 1 1 24 24 ASP CA C 24 50.853 50.853 54.173 -3.320 18027 108 1 . 1 1 24 24 ASP CB C 24 37.363 37.363 41.847 -4.484 18027 109 1 . 1 1 24 24 ASP H H 24 8.312 8.312 8.355 -0.043 18027 110 1 . 1 1 25 25 GLY N N 25 112.499 112.499 110.049 2.450 18027 111 1 . 1 1 25 25 GLY CA C 25 42.420 42.420 45.242 -2.822 18027 112 1 . 1 1 25 25 GLY H H 25 10.352 10.352 8.435 1.917 18027 113 1 . 1 1 26 26 THR N N 26 111.781 111.781 111.491 0.290 18027 114 1 . 1 1 26 26 THR HA H 26 5.316 5.316 5.682 -0.366 18027 115 1 . 1 1 26 26 THR CA C 26 56.878 56.878 60.510 -3.632 18027 116 1 . 1 1 26 26 THR CB C 26 70.031 70.031 72.424 -2.393 18027 117 1 . 1 1 26 26 THR H H 26 8.018 8.018 8.695 -0.677 18027 118 1 . 1 1 27 27 ILE N N 27 126.162 126.162 124.200 1.962 18027 119 1 . 1 1 27 27 ILE HA H 27 4.658 4.658 4.523 0.135 18027 120 1 . 1 1 27 27 ILE CA C 27 58.477 58.477 60.025 -1.548 18027 121 1 . 1 1 27 27 ILE CB C 27 37.572 37.572 39.034 -1.462 18027 122 1 . 1 1 27 27 ILE H H 27 9.769 9.769 8.592 1.177 18027 123 1 . 1 1 28 28 THR N N 28 116.311 116.311 120.893 -4.582 18027 124 1 . 1 1 28 28 THR HA H 28 4.669 4.669 4.990 -0.321 18027 125 1 . 1 1 28 28 THR CA C 28 56.878 56.878 61.832 -4.954 18027 126 1 . 1 1 28 28 THR CB C 28 69.688 69.688 70.047 -0.359 18027 127 1 . 1 1 28 28 THR H H 28 8.302 8.302 8.369 -0.067 18027 128 1 . 1 1 29 29 THR N N 29 112.465 112.465 114.817 -2.352 18027 129 1 . 1 1 29 29 THR HA H 29 3.633 3.633 4.000 -0.367 18027 130 1 . 1 1 29 29 THR CA C 29 63.820 63.820 66.269 -2.449 18027 131 1 . 1 1 29 29 THR CB C 29 65.160 65.160 68.511 -3.351 18027 132 1 . 1 1 29 29 THR H H 29 9.078 9.078 8.696 0.382 18027 133 1 . 1 1 30 30 LYS N N 30 120.792 120.792 120.535 0.257 18027 134 1 . 1 1 30 30 LYS HA H 30 3.955 3.955 4.174 -0.219 18027 135 1 . 1 1 30 30 LYS CA C 30 56.569 56.569 58.989 -2.419 18027 136 1 . 1 1 30 30 LYS CB C 30 29.595 29.595 31.526 -1.931 18027 137 1 . 1 1 30 30 LYS H H 30 7.467 7.467 8.389 -0.922 18027 138 1 . 1 1 31 31 GLU N N 31 121.359 121.359 119.998 1.361 18027 139 1 . 1 1 31 31 GLU HA H 31 3.906 3.906 4.153 -0.247 18027 140 1 . 1 1 31 31 GLU CA C 31 56.677 56.677 58.794 -2.117 18027 141 1 . 1 1 31 31 GLU CB C 31 27.082 27.082 29.398 -2.316 18027 142 1 . 1 1 31 31 GLU H H 31 7.574 7.574 7.735 -0.161 18027 143 1 . 1 1 32 32 LEU N N 32 120.087 120.087 120.949 -0.862 18027 144 1 . 1 1 32 32 LEU HA H 32 4.057 4.057 4.337 -0.280 18027 145 1 . 1 1 32 32 LEU CA C 32 55.572 55.572 57.704 -2.132 18027 146 1 . 1 1 32 32 LEU CB C 32 39.852 39.852 42.160 -2.308 18027 147 1 . 1 1 32 32 LEU H H 32 8.712 8.712 7.899 0.814 18027 148 1 . 1 1 33 33 GLY N N 33 105.634 105.634 104.856 0.778 18027 149 1 . 1 1 33 33 GLY CA C 33 45.637 45.637 47.188 -1.551 18027 150 1 . 1 1 33 33 GLY H H 33 8.696 8.696 7.794 0.902 18027 151 1 . 1 1 34 34 THR N N 34 117.265 117.265 118.352 -1.087 18027 152 1 . 1 1 34 34 THR HA H 34 3.810 3.810 3.965 -0.155 18027 153 1 . 1 1 34 34 THR CA C 34 64.259 64.259 66.524 -2.265 18027 154 1 . 1 1 34 34 THR CB C 34 66.033 66.033 68.634 -2.601 18027 155 1 . 1 1 34 34 THR H H 34 7.785 7.785 7.575 0.210 18027 156 1 . 1 1 35 35 VAL N N 35 121.498 121.498 120.588 0.910 18027 157 1 . 1 1 35 35 VAL HA H 35 3.401 3.401 3.775 -0.374 18027 158 1 . 1 1 35 35 VAL CA C 35 64.308 64.308 65.371 -1.063 18027 159 1 . 1 1 35 35 VAL CB C 35 28.796 28.796 31.496 -2.700 18027 160 1 . 1 1 35 35 VAL H H 35 7.268 7.268 7.330 -0.062 18027 161 1 . 1 1 36 36 MET N N 36 117.302 117.302 118.518 -1.216 18027 162 1 . 1 1 36 36 MET HA H 36 3.842 3.842 4.254 -0.412 18027 163 1 . 1 1 36 36 MET CA C 36 56.606 56.606 57.614 -1.008 18027 164 1 . 1 1 36 36 MET CB C 36 28.453 28.453 31.997 -3.544 18027 165 1 . 1 1 36 36 MET H H 36 8.487 8.487 7.652 0.835 18027 166 1 . 1 1 37 37 ARG N N 37 118.262 118.262 118.470 -0.208 18027 167 1 . 1 1 37 37 ARG HA H 37 4.657 4.657 4.376 0.281 18027 168 1 . 1 1 37 37 ARG CA C 37 56.480 56.480 58.736 -2.256 18027 169 1 . 1 1 37 37 ARG CB C 37 26.740 26.740 30.243 -3.503 18027 170 1 . 1 1 37 37 ARG H H 37 8.330 8.330 7.970 0.360 18027 171 1 . 1 1 38 38 SER N N 38 117.873 117.873 113.456 4.417 18027 172 1 . 1 1 38 38 SER H H 38 7.815 7.815 7.581 0.234 18027 173 1 . 1 1 39 39 LEU N N 39 117.970 117.970 118.938 -0.969 18027 174 1 . 1 1 39 39 LEU HA H 39 4.072 4.072 4.351 -0.279 18027 175 1 . 1 1 39 39 LEU CA C 39 51.438 51.438 55.182 -3.744 18027 176 1 . 1 1 39 39 LEU CB C 39 38.162 38.162 42.350 -4.188 18027 177 1 . 1 1 39 39 LEU H H 39 7.326 7.326 7.453 -0.127 18027 178 1 . 1 1 40 40 GLY N N 40 106.755 106.755 105.698 1.057 18027 179 1 . 1 1 40 40 GLY CA C 40 42.664 42.664 44.744 -2.080 18027 180 1 . 1 1 40 40 GLY H H 40 7.636 7.636 7.651 -0.015 18027 181 1 . 1 1 41 41 GLN N N 41 118.316 118.316 119.634 -1.318 18027 182 1 . 1 1 41 41 GLN HA H 41 4.285 4.285 4.561 -0.276 18027 183 1 . 1 1 41 41 GLN CA C 41 50.853 50.853 54.349 -3.496 18027 184 1 . 1 1 41 41 GLN CB C 41 27.311 27.311 31.997 -4.686 18027 185 1 . 1 1 41 41 GLN H H 41 7.827 7.827 7.979 -0.153 18027 186 1 . 1 1 42 42 ASN N N 42 115.866 115.866 121.515 -5.649 18027 187 1 . 1 1 42 42 ASN HA H 42 5.013 5.013 5.045 -0.032 18027 188 1 . 1 1 42 42 ASN CA C 42 48.562 48.562 51.390 -2.828 18027 189 1 . 1 1 42 42 ASN CB C 42 36.318 36.318 39.200 -2.882 18027 190 1 . 1 1 42 42 ASN H H 42 8.557 8.557 8.638 -0.081 18027 191 1 . 1 1 44 44 THR N N 44 113.035 113.035 114.325 -1.290 18027 192 1 . 1 1 44 44 THR HA H 44 4.296 4.296 4.533 -0.237 18027 193 1 . 1 1 44 44 THR CA C 44 57.922 57.922 60.053 -2.130 18027 194 1 . 1 1 44 44 THR CB C 44 68.317 68.317 71.146 -2.829 18027 195 1 . 1 1 44 44 THR H H 44 8.694 8.694 8.020 0.674 18027 196 1 . 1 1 45 45 GLU N N 45 120.283 120.283 121.265 -0.982 18027 197 1 . 1 1 45 45 GLU HA H 45 3.896 3.896 4.060 -0.164 18027 198 1 . 1 1 45 45 GLU CA C 45 57.356 57.356 59.577 -2.221 18027 199 1 . 1 1 45 45 GLU CB C 45 25.716 25.716 29.279 -3.563 18027 200 1 . 1 1 45 45 GLU H H 45 8.687 8.687 8.875 -0.187 18027 201 1 . 1 1 46 46 ALA N N 46 120.685 120.685 121.555 -0.870 18027 202 1 . 1 1 46 46 ALA HA H 46 3.870 3.870 4.215 -0.345 18027 203 1 . 1 1 46 46 ALA CA C 46 52.316 52.316 54.608 -2.292 18027 204 1 . 1 1 46 46 ALA CB C 46 15.089 15.089 18.120 -3.031 18027 205 1 . 1 1 46 46 ALA H H 46 8.153 8.153 8.235 -0.082 18027 206 1 . 1 1 47 47 GLU N N 47 118.546 118.546 118.319 0.227 18027 207 1 . 1 1 47 47 GLU HA H 47 3.859 3.859 4.169 -0.310 18027 208 1 . 1 1 47 47 GLU CA C 47 56.508 56.508 58.740 -2.232 18027 209 1 . 1 1 47 47 GLU CB C 47 26.740 26.740 29.256 -2.516 18027 210 1 . 1 1 47 47 GLU H H 47 7.554 7.554 8.193 -0.639 18027 211 1 . 1 1 48 48 LEU N N 48 120.085 120.085 120.380 -0.295 18027 212 1 . 1 1 48 48 LEU HA H 48 3.940 3.940 4.087 -0.147 18027 213 1 . 1 1 48 48 LEU CA C 48 55.368 55.368 58.095 -2.727 18027 214 1 . 1 1 48 48 LEU CB C 48 39.419 39.419 41.986 -2.567 18027 215 1 . 1 1 48 48 LEU H H 48 8.247 8.247 7.923 0.324 18027 216 1 . 1 1 49 49 GLN N N 49 118.119 118.119 117.131 0.988 18027 217 1 . 1 1 49 49 GLN HA H 49 3.913 3.913 4.006 -0.093 18027 218 1 . 1 1 49 49 GLN CA C 49 56.703 56.703 58.821 -2.118 18027 219 1 . 1 1 49 49 GLN CB C 49 26.397 26.397 28.399 -2.002 18027 220 1 . 1 1 49 49 GLN H H 49 7.891 7.891 7.793 0.098 18027 221 1 . 1 1 50 50 ASP N N 50 119.263 119.263 120.865 -1.602 18027 222 1 . 1 1 50 50 ASP HA H 50 4.179 4.179 4.454 -0.275 18027 223 1 . 1 1 50 50 ASP CA C 50 54.876 54.876 56.904 -2.028 18027 224 1 . 1 1 50 50 ASP CB C 50 37.248 37.248 40.961 -3.713 18027 225 1 . 1 1 50 50 ASP H H 50 7.803 7.803 7.626 0.177 18027 226 1 . 1 1 51 51 MET N N 51 120.178 120.178 117.480 2.698 18027 227 1 . 1 1 51 51 MET HA H 51 3.966 3.966 4.256 -0.290 18027 228 1 . 1 1 51 51 MET CA C 51 57.074 57.074 58.286 -1.212 18027 229 1 . 1 1 51 51 MET CB C 51 29.975 29.975 33.069 -3.094 18027 230 1 . 1 1 51 51 MET H H 51 7.831 7.831 7.501 0.330 18027 231 1 . 1 1 52 52 ILE N N 52 116.856 116.856 120.524 -3.669 18027 232 1 . 1 1 52 52 ILE HA H 52 3.348 3.348 3.709 -0.361 18027 233 1 . 1 1 52 52 ILE CA C 52 61.675 61.675 64.171 -2.496 18027 234 1 . 1 1 52 52 ILE CB C 52 33.822 33.822 37.483 -3.661 18027 235 1 . 1 1 52 52 ILE H H 52 7.703 7.703 7.688 0.015 18027 236 1 . 1 1 53 53 ASN N N 53 117.417 117.417 115.283 2.134 18027 237 1 . 1 1 53 53 ASN HA H 53 4.253 4.253 4.485 -0.232 18027 238 1 . 1 1 53 53 ASN CA C 53 53.041 53.041 55.666 -2.625 18027 239 1 . 1 1 53 53 ASN CB C 53 35.078 35.078 38.296 -3.218 18027 240 1 . 1 1 53 53 ASN H H 53 8.187 8.187 7.933 0.254 18027 241 1 . 1 1 54 54 GLU N N 54 116.996 116.996 118.493 -1.497 18027 242 1 . 1 1 54 54 GLU HA H 54 3.859 3.859 4.223 -0.364 18027 243 1 . 1 1 54 54 GLU CA C 54 55.874 55.874 58.380 -2.506 18027 244 1 . 1 1 54 54 GLU CB C 54 26.397 26.397 30.376 -3.979 18027 245 1 . 1 1 54 54 GLU H H 54 7.391 7.391 7.595 -0.204 18027 246 1 . 1 1 55 55 VAL N N 55 114.596 114.596 115.233 -0.637 18027 247 1 . 1 1 55 55 VAL HA H 55 3.987 3.987 4.120 -0.133 18027 248 1 . 1 1 55 55 VAL CA C 55 58.945 58.945 62.836 -3.891 18027 249 1 . 1 1 55 55 VAL CB C 55 30.738 30.738 32.920 -2.182 18027 250 1 . 1 1 55 55 VAL H H 55 7.151 7.151 7.528 -0.377 18027 251 1 . 1 1 56 56 ASP N N 56 119.670 119.670 122.401 -2.731 18027 252 1 . 1 1 56 56 ASP HA H 56 4.317 4.317 4.465 -0.148 18027 253 1 . 1 1 56 56 ASP CA C 56 51.356 51.356 55.449 -4.093 18027 254 1 . 1 1 56 56 ASP CB C 56 37.591 37.591 41.199 -3.608 18027 255 1 . 1 1 56 56 ASP H H 56 7.913 7.913 8.263 -0.350 18027 256 1 . 1 1 57 57 ALA N N 57 131.491 131.491 129.033 2.458 18027 257 1 . 1 1 57 57 ALA HA H 57 4.101 4.101 4.186 -0.085 18027 258 1 . 1 1 57 57 ALA CA C 57 51.183 51.183 53.726 -2.543 18027 259 1 . 1 1 57 57 ALA H H 57 8.126 8.126 8.728 -0.602 18027 260 1 . 1 1 58 58 ASP N N 58 114.255 114.255 117.735 -3.480 18027 261 1 . 1 1 58 58 ASP HA H 58 4.434 4.434 4.641 -0.207 18027 262 1 . 1 1 58 58 ASP CA C 58 49.960 49.960 54.763 -4.802 18027 263 1 . 1 1 58 58 ASP CB C 58 36.563 36.563 41.638 -5.075 18027 264 1 . 1 1 58 58 ASP H H 58 8.130 8.130 8.213 -0.083 18027 265 1 . 1 1 59 59 GLY N N 59 108.987 108.987 107.780 1.207 18027 266 1 . 1 1 59 59 GLY CA C 59 44.296 44.296 45.339 -1.043 18027 267 1 . 1 1 59 59 GLY H H 59 7.504 7.504 8.599 -1.095 18027 268 1 . 1 1 60 60 ASN N N 60 118.770 118.770 118.879 -0.109 18027 269 1 . 1 1 60 60 ASN HA H 60 4.429 4.429 4.841 -0.412 18027 270 1 . 1 1 60 60 ASN CA C 60 49.859 49.859 52.408 -2.549 18027 271 1 . 1 1 60 60 ASN CB C 60 34.507 34.507 40.070 -5.563 18027 272 1 . 1 1 60 60 ASN H H 60 8.095 8.095 8.562 -0.467 18027 273 1 . 1 1 61 61 GLY N N 61 112.773 112.773 109.154 3.619 18027 274 1 . 1 1 61 61 GLY CA C 61 42.712 42.712 45.327 -2.615 18027 275 1 . 1 1 61 61 GLY H H 61 10.280 10.280 8.803 1.477 18027 276 1 . 1 1 62 62 THR N N 62 108.117 108.117 110.895 -2.778 18027 277 1 . 1 1 62 62 THR HA H 62 4.672 4.672 4.993 -0.321 18027 278 1 . 1 1 62 62 THR CA C 62 56.878 56.878 60.014 -3.136 18027 279 1 . 1 1 62 62 THR CB C 62 69.688 69.688 71.742 -2.054 18027 280 1 . 1 1 62 62 THR H H 62 7.475 7.475 7.842 -0.367 18027 281 1 . 1 1 63 63 ILE N N 63 122.642 122.642 122.622 0.020 18027 282 1 . 1 1 63 63 ILE HA H 63 4.796 4.796 4.411 0.385 18027 283 1 . 1 1 63 63 ILE CA C 63 57.812 57.812 60.158 -2.346 18027 284 1 . 1 1 63 63 ILE CB C 63 37.363 37.363 41.174 -3.811 18027 285 1 . 1 1 63 63 ILE H H 63 8.449 8.449 8.242 0.207 18027 286 1 . 1 1 64 64 ASP N N 64 128.633 128.633 125.964 2.669 18027 287 1 . 1 1 64 64 ASP HA H 64 5.316 5.316 5.313 0.003 18027 288 1 . 1 1 64 64 ASP CA C 64 49.280 49.280 53.133 -3.853 18027 289 1 . 1 1 64 64 ASP CB C 64 39.761 39.761 43.579 -3.818 18027 290 1 . 1 1 64 64 ASP H H 64 9.011 9.011 8.492 0.519 18027 291 1 . 1 1 65 65 PHE N N 65 118.892 118.892 116.959 1.933 18027 292 1 . 1 1 65 65 PHE HA H 65 3.767 3.767 4.411 -0.644 18027 293 1 . 1 1 65 65 PHE CA C 65 60.213 60.213 60.968 -0.755 18027 294 1 . 1 1 65 65 PHE H H 65 8.766 8.766 8.332 0.434 18027 295 1 . 1 1 67 67 GLU N N 67 118.675 118.675 115.766 2.909 18027 296 1 . 1 1 67 67 GLU HA H 67 3.837 3.837 4.282 -0.445 18027 297 1 . 1 1 67 67 GLU CA C 67 56.605 56.605 57.160 -0.555 18027 298 1 . 1 1 67 67 GLU CB C 67 26.397 26.397 28.541 -2.144 18027 299 1 . 1 1 67 67 GLU H H 67 7.487 7.487 8.697 -1.210 18027 300 1 . 1 1 68 68 PHE N N 68 123.182 123.182 121.373 1.809 18027 301 1 . 1 1 68 68 PHE HA H 68 3.668 3.668 4.306 -0.638 18027 302 1 . 1 1 68 68 PHE CA C 68 58.429 58.429 61.670 -3.241 18027 303 1 . 1 1 68 68 PHE CB C 68 37.591 37.591 39.646 -2.055 18027 304 1 . 1 1 68 68 PHE H H 68 8.066 8.066 7.568 0.498 18027 305 1 . 1 1 69 69 LEU N N 69 119.530 119.530 116.820 2.710 18027 306 1 . 1 1 69 69 LEU HA H 69 3.955 3.955 4.107 -0.152 18027 307 1 . 1 1 69 69 LEU CA C 69 54.774 54.774 56.874 -2.100 18027 308 1 . 1 1 69 69 LEU CB C 69 39.419 39.419 41.051 -1.632 18027 309 1 . 1 1 69 69 LEU H H 69 8.672 8.672 7.935 0.737 18027 310 1 . 1 1 70 70 THR N N 70 113.765 113.765 115.212 -1.447 18027 311 1 . 1 1 70 70 THR HA H 70 3.806 3.806 3.982 -0.176 18027 312 1 . 1 1 70 70 THR CA C 70 63.861 63.861 66.409 -2.548 18027 313 1 . 1 1 70 70 THR CB C 70 66.147 66.147 68.562 -2.415 18027 314 1 . 1 1 70 70 THR H H 70 7.909 7.909 7.620 0.289 18027 315 1 . 1 1 71 71 MET N N 71 119.518 119.518 119.792 -0.274 18027 316 1 . 1 1 71 71 MET HA H 71 3.881 3.881 4.198 -0.317 18027 317 1 . 1 1 71 71 MET CA C 71 56.106 56.106 57.969 -1.863 18027 318 1 . 1 1 71 71 MET CB C 71 29.595 29.595 32.568 -2.973 18027 319 1 . 1 1 71 71 MET H H 71 7.120 7.120 7.435 -0.315 18027 320 1 . 1 1 72 72 MET N N 72 116.280 116.280 118.222 -1.942 18027 321 1 . 1 1 72 72 MET HA H 72 3.817 3.817 4.184 -0.367 18027 322 1 . 1 1 72 72 MET CA C 72 55.111 55.111 58.220 -3.109 18027 323 1 . 1 1 72 72 MET CB C 72 27.892 27.892 32.563 -4.671 18027 324 1 . 1 1 72 72 MET H H 72 7.737 7.737 7.554 0.183 18027 325 1 . 1 1 73 73 ALA N N 73 119.984 119.984 118.928 1.056 18027 326 1 . 1 1 73 73 ALA HA H 73 3.838 3.838 4.157 -0.319 18027 327 1 . 1 1 73 73 ALA CA C 73 51.812 51.812 53.819 -2.007 18027 328 1 . 1 1 73 73 ALA CB C 73 15.203 15.203 18.383 -3.180 18027 329 1 . 1 1 73 73 ALA H H 73 8.322 8.322 7.682 0.640 18027 330 1 . 1 1 74 74 ARG N N 74 116.354 116.354 118.895 -2.541 18027 331 1 . 1 1 74 74 ARG HA H 74 3.838 3.838 4.146 -0.308 18027 332 1 . 1 1 74 74 ARG CA C 74 55.957 55.957 58.949 -2.992 18027 333 1 . 1 1 74 74 ARG CB C 74 25.255 25.255 30.466 -5.211 18027 334 1 . 1 1 74 74 ARG H H 74 7.264 7.264 7.581 -0.317 18027 335 1 . 1 1 75 75 LYS N N 75 120.084 120.084 118.659 1.425 18027 336 1 . 1 1 75 75 LYS HA H 75 3.948 3.948 4.396 -0.447 18027 337 1 . 1 1 75 75 LYS CA C 75 54.859 54.859 57.343 -2.484 18027 338 1 . 1 1 75 75 LYS CB C 75 28.681 28.681 31.971 -3.290 18027 339 1 . 1 1 75 75 LYS H H 75 7.756 7.756 7.670 0.086 18027 340 1 . 1 1 76 76 MET N N 76 117.139 117.139 118.138 -0.999 18027 341 1 . 1 1 76 76 MET HA H 76 4.168 4.168 4.396 -0.228 18027 342 1 . 1 1 76 76 MET CA C 76 54.704 54.704 56.257 -1.553 18027 343 1 . 1 1 76 76 MET CB C 76 30.052 30.052 32.452 -2.400 18027 344 1 . 1 1 76 76 MET H H 76 7.985 7.985 7.580 0.405 18027 345 1 . 1 1 77 77 LYS N N 77 116.614 116.614 117.216 -0.602 18027 346 1 . 1 1 77 77 LYS HA H 77 4.221 4.221 4.426 -0.205 18027 347 1 . 1 1 77 77 LYS CA C 77 53.184 53.184 56.290 -3.106 18027 348 1 . 1 1 77 77 LYS CB C 77 26.283 26.283 32.565 -6.282 18027 349 1 . 1 1 77 77 LYS H H 77 7.275 7.275 7.457 -0.182 18027 350 1 . 1 1 78 78 ASP N N 78 123.187 123.187 120.243 2.944 18027 351 1 . 1 1 78 78 ASP HA H 78 4.451 4.451 4.730 -0.279 18027 352 1 . 1 1 78 78 ASP CA C 78 51.732 51.732 54.953 -3.221 18027 353 1 . 1 1 78 78 ASP CB C 78 38.391 38.391 41.483 -3.092 18027 354 1 . 1 1 78 78 ASP H H 78 8.181 8.181 7.760 0.421 18027 355 1 . 1 1 79 79 THR N N 79 114.325 114.325 111.237 3.088 18027 356 1 . 1 1 79 79 THR HA H 79 4.034 4.034 3.938 0.097 18027 357 1 . 1 1 79 79 THR CA C 79 61.322 61.322 64.314 -2.992 18027 358 1 . 1 1 79 79 THR CB C 79 66.147 66.147 67.095 -0.948 18027 359 1 . 1 1 79 79 THR H H 79 8.377 8.377 8.332 0.045 18027 360 1 . 1 1 80 80 ASP N N 80 120.844 120.844 119.855 0.989 18027 361 1 . 1 1 80 80 ASP HA H 80 4.305 4.305 4.793 -0.488 18027 362 1 . 1 1 80 80 ASP CA C 80 51.672 51.672 54.552 -2.880 18027 363 1 . 1 1 80 80 ASP CB C 80 37.591 37.591 40.858 -3.267 18027 364 1 . 1 1 80 80 ASP H H 80 8.223 8.223 8.570 -0.347 18027 365 1 . 1 1 81 81 SER N N 81 115.729 115.729 114.492 1.237 18027 366 1 . 1 1 81 81 SER HA H 81 3.911 3.911 4.522 -0.611 18027 367 1 . 1 1 81 81 SER CA C 81 57.939 57.939 59.950 -2.011 18027 368 1 . 1 1 81 81 SER CB C 81 60.664 60.664 62.871 -2.207 18027 369 1 . 1 1 81 81 SER H H 81 7.785 7.785 8.298 -0.513 18027 370 1 . 1 1 82 82 GLU N N 82 121.960 121.960 122.523 -0.563 18027 371 1 . 1 1 82 82 GLU HA H 82 3.896 3.896 4.133 -0.237 18027 372 1 . 1 1 82 82 GLU CA C 82 56.829 56.829 58.862 -2.034 18027 373 1 . 1 1 82 82 GLU CB C 82 26.625 26.625 29.432 -2.807 18027 374 1 . 1 1 82 82 GLU H H 82 8.208 8.208 8.498 -0.290 18027 375 1 . 1 1 83 83 GLU N N 83 118.040 118.040 117.347 0.693 18027 376 1 . 1 1 83 83 GLU HA H 83 3.838 3.838 4.164 -0.326 18027 377 1 . 1 1 83 83 GLU CA C 83 55.945 55.945 58.617 -2.672 18027 378 1 . 1 1 83 83 GLU CB C 83 26.832 26.832 29.247 -2.415 18027 379 1 . 1 1 83 83 GLU H H 83 7.898 7.898 7.825 0.073 18027 380 1 . 1 1 84 84 GLU N N 84 118.825 118.825 119.569 -0.744 18027 381 1 . 1 1 84 84 GLU CA C 84 54.758 54.758 58.672 -3.914 18027 382 1 . 1 1 84 84 GLU CB C 84 30.852 30.852 29.965 0.887 18027 383 1 . 1 1 84 84 GLU H H 84 8.154 8.154 7.623 0.530 18027 384 1 . 1 1 85 85 ILE N N 85 119.310 119.310 119.507 -0.197 18027 385 1 . 1 1 85 85 ILE HA H 85 3.767 3.767 3.888 -0.121 18027 386 1 . 1 1 85 85 ILE CA C 85 59.858 59.858 64.540 -4.682 18027 387 1 . 1 1 85 85 ILE CB C 85 35.649 35.649 37.798 -2.149 18027 388 1 . 1 1 85 85 ILE H H 85 7.793 7.793 7.488 0.305 18027 389 1 . 1 1 86 86 ARG N N 86 120.640 120.640 119.671 0.969 18027 390 1 . 1 1 86 86 ARG HA H 86 3.925 3.925 4.006 -0.081 18027 391 1 . 1 1 86 86 ARG CA C 86 57.265 57.265 59.570 -2.305 18027 392 1 . 1 1 86 86 ARG CB C 86 26.854 26.854 29.499 -2.645 18027 393 1 . 1 1 86 86 ARG H H 86 8.177 8.177 7.832 0.345 18027 394 1 . 1 1 87 87 GLU N N 87 119.448 119.448 119.312 0.136 18027 395 1 . 1 1 87 87 GLU HA H 87 3.852 3.852 4.216 -0.364 18027 396 1 . 1 1 87 87 GLU CA C 87 56.643 56.643 58.865 -2.222 18027 397 1 . 1 1 87 87 GLU CB C 87 26.054 26.054 29.359 -3.305 18027 398 1 . 1 1 87 87 GLU H H 87 7.828 7.828 7.707 0.121 18027 399 1 . 1 1 88 88 ALA N N 88 122.592 122.592 122.233 0.359 18027 400 1 . 1 1 88 88 ALA HA H 88 4.028 4.028 4.354 -0.325 18027 401 1 . 1 1 88 88 ALA CA C 88 52.596 52.596 54.634 -2.038 18027 402 1 . 1 1 88 88 ALA CB C 88 14.632 14.632 18.636 -4.004 18027 403 1 . 1 1 88 88 ALA H H 88 8.283 8.283 7.545 0.738 18027 404 1 . 1 1 89 89 PHE N N 89 119.245 119.245 119.256 -0.011 18027 405 1 . 1 1 89 89 PHE HA H 89 3.114 3.114 4.001 -0.887 18027 406 1 . 1 1 89 89 PHE CA C 89 59.545 59.545 61.393 -1.848 18027 407 1 . 1 1 89 89 PHE CB C 89 36.335 36.335 39.628 -3.293 18027 408 1 . 1 1 89 89 PHE H H 89 8.423 8.423 8.279 0.144 18027 409 1 . 1 1 90 90 ARG N N 90 117.455 117.455 118.754 -1.299 18027 410 1 . 1 1 90 90 ARG HA H 90 3.849 3.849 4.297 -0.448 18027 411 1 . 1 1 90 90 ARG CA C 90 56.313 56.313 58.808 -2.494 18027 412 1 . 1 1 90 90 ARG CB C 90 27.197 27.197 29.465 -2.268 18027 413 1 . 1 1 90 90 ARG H H 90 7.840 7.840 7.801 0.039 18027 414 1 . 1 1 91 91 VAL N N 91 118.698 118.698 118.551 0.147 18027 415 1 . 1 1 91 91 VAL HA H 91 3.252 3.252 3.814 -0.562 18027 416 1 . 1 1 91 91 VAL CA C 91 63.333 63.333 64.835 -1.503 18027 417 1 . 1 1 91 91 VAL CB C 91 28.110 28.110 31.424 -3.314 18027 418 1 . 1 1 91 91 VAL H H 91 7.262 7.262 7.381 -0.119 18027 419 1 . 1 1 92 92 PHE N N 92 112.495 112.495 117.725 -5.230 18027 420 1 . 1 1 92 92 PHE HA H 92 3.934 3.934 4.316 -0.382 18027 421 1 . 1 1 92 92 PHE CA C 92 57.181 57.181 60.459 -3.278 18027 422 1 . 1 1 92 92 PHE CB C 92 39.419 39.419 39.958 -0.539 18027 423 1 . 1 1 92 92 PHE H H 92 6.693 6.693 7.433 -0.740 18027 424 1 . 1 1 93 93 ASP N N 93 117.214 117.214 118.191 -0.977 18027 425 1 . 1 1 93 93 ASP HA H 93 4.434 4.434 4.685 -0.251 18027 426 1 . 1 1 93 93 ASP CA C 93 49.781 49.781 52.617 -2.836 18027 427 1 . 1 1 93 93 ASP CB C 93 36.449 36.449 39.342 -2.894 18027 428 1 . 1 1 93 93 ASP H H 93 7.954 7.954 8.058 -0.104 18027 429 1 . 1 1 94 94 LYS N N 94 125.565 125.565 123.652 1.913 18027 430 1 . 1 1 94 94 LYS HA H 94 3.779 3.779 4.231 -0.452 18027 431 1 . 1 1 94 94 LYS CA C 94 55.679 55.679 58.470 -2.791 18027 432 1 . 1 1 94 94 LYS CB C 94 29.595 29.595 32.528 -2.933 18027 433 1 . 1 1 94 94 LYS H H 94 7.671 7.671 8.081 -0.410 18027 434 1 . 1 1 95 95 ASP N N 95 114.041 114.041 116.920 -2.879 18027 435 1 . 1 1 95 95 ASP HA H 95 4.408 4.408 4.737 -0.329 18027 436 1 . 1 1 95 95 ASP CA C 95 50.213 50.213 53.746 -3.533 18027 437 1 . 1 1 95 95 ASP CB C 95 36.563 36.563 41.270 -4.707 18027 438 1 . 1 1 95 95 ASP H H 95 7.944 7.944 7.964 -0.020 18027 439 1 . 1 1 96 96 GLY N N 96 108.849 108.849 108.381 0.468 18027 440 1 . 1 1 96 96 GLY CA C 96 44.199 44.199 45.957 -1.758 18027 441 1 . 1 1 96 96 GLY H H 96 7.529 7.529 7.829 -0.300 18027 442 1 . 1 1 97 97 ASN N N 97 119.410 119.410 119.592 -0.182 18027 443 1 . 1 1 97 97 ASN HA H 97 4.424 4.424 4.591 -0.167 18027 444 1 . 1 1 97 97 ASN CA C 97 49.683 49.683 53.349 -3.666 18027 445 1 . 1 1 97 97 ASN CB C 97 36.563 36.563 38.648 -2.085 18027 446 1 . 1 1 97 97 ASN H H 97 8.234 8.234 8.412 -0.178 18027 447 1 . 1 1 98 98 GLY N N 98 112.073 112.073 106.089 5.984 18027 448 1 . 1 1 98 98 GLY CA C 98 42.176 42.176 45.736 -3.560 18027 449 1 . 1 1 98 98 GLY H H 98 10.298 10.298 8.326 1.972 18027 450 1 . 1 1 99 99 TYR N N 99 116.011 116.011 116.833 -0.822 18027 451 1 . 1 1 99 99 TYR HA H 99 4.818 4.818 5.077 -0.259 18027 452 1 . 1 1 99 99 TYR CA C 99 53.681 53.681 55.682 -2.001 18027 453 1 . 1 1 99 99 TYR CB C 99 39.875 39.875 41.081 -1.206 18027 454 1 . 1 1 99 99 TYR H H 99 7.497 7.497 7.325 0.172 18027 455 1 . 1 1 100 100 ILE N N 100 126.793 126.793 121.528 5.265 18027 456 1 . 1 1 100 100 ILE HA H 100 4.423 4.423 4.219 0.204 18027 457 1 . 1 1 100 100 ILE CA C 100 58.629 58.629 60.713 -2.084 18027 458 1 . 1 1 100 100 ILE CB C 100 35.748 35.748 38.783 -3.035 18027 459 1 . 1 1 100 100 ILE H H 100 9.833 9.833 8.459 1.374 18027 460 1 . 1 1 101 101 SER N N 101 123.825 123.825 123.539 0.286 18027 461 1 . 1 1 101 101 SER HA H 101 4.657 4.657 4.767 -0.110 18027 462 1 . 1 1 101 101 SER CA C 101 53.060 53.060 57.678 -4.618 18027 463 1 . 1 1 101 101 SER CB C 101 64.091 64.091 64.521 -0.430 18027 464 1 . 1 1 101 101 SER H H 101 8.870 8.870 8.706 0.164 18027 465 1 . 1 1 102 102 ALA N N 102 122.909 122.909 126.850 -3.941 18027 466 1 . 1 1 102 102 ALA HA H 102 3.764 3.764 4.090 -0.326 18027 467 1 . 1 1 102 102 ALA CA C 102 53.050 53.050 55.049 -1.999 18027 468 1 . 1 1 102 102 ALA CB C 102 14.975 14.975 18.563 -3.588 18027 469 1 . 1 1 102 102 ALA H H 102 9.209 9.209 8.878 0.331 18027 470 1 . 1 1 103 103 ALA N N 103 118.692 118.692 120.417 -1.725 18027 471 1 . 1 1 103 103 ALA HA H 103 3.874 3.874 4.052 -0.178 18027 472 1 . 1 1 103 103 ALA CA C 103 52.485 52.485 54.938 -2.453 18027 473 1 . 1 1 103 103 ALA CB C 103 15.203 15.203 18.308 -3.105 18027 474 1 . 1 1 103 103 ALA H H 103 8.146 8.146 8.197 -0.051 18027 475 1 . 1 1 104 104 GLU N N 104 120.098 120.098 118.732 1.366 18027 476 1 . 1 1 104 104 GLU HA H 104 3.863 3.863 4.228 -0.365 18027 477 1 . 1 1 104 104 GLU CA C 104 56.575 56.575 58.972 -2.397 18027 478 1 . 1 1 104 104 GLU CB C 104 25.369 25.369 29.548 -4.179 18027 479 1 . 1 1 104 104 GLU H H 104 7.832 7.832 8.195 -0.363 18027 480 1 . 1 1 105 105 LEU N N 105 121.466 121.466 119.934 1.532 18027 481 1 . 1 1 105 105 LEU HA H 105 4.116 4.116 4.134 -0.018 18027 482 1 . 1 1 105 105 LEU CA C 105 55.696 55.696 57.942 -2.246 18027 483 1 . 1 1 105 105 LEU CB C 105 38.962 38.962 41.906 -2.944 18027 484 1 . 1 1 105 105 LEU H H 105 8.300 8.300 7.620 0.680 18027 485 1 . 1 1 106 106 ARG N N 106 118.978 118.978 118.778 0.201 18027 486 1 . 1 1 106 106 ARG HA H 106 3.852 3.852 3.937 -0.085 18027 487 1 . 1 1 106 106 ARG CA C 106 57.434 57.434 59.524 -2.090 18027 488 1 . 1 1 106 106 ARG CB C 106 27.084 27.084 29.851 -2.767 18027 489 1 . 1 1 106 106 ARG H H 106 8.882 8.882 7.871 1.011 18027 490 1 . 1 1 107 107 HIS N N 107 118.543 118.543 118.417 0.126 18027 491 1 . 1 1 107 107 HIS HA H 107 4.200 4.200 4.308 -0.108 18027 492 1 . 1 1 107 107 HIS CA C 107 56.825 56.825 59.738 -2.913 18027 493 1 . 1 1 107 107 HIS CB C 107 26.740 26.740 29.604 -2.864 18027 494 1 . 1 1 107 107 HIS H H 107 7.991 7.991 7.737 0.254 18027 495 1 . 1 1 108 108 VAL N N 108 118.687 118.687 118.309 0.378 18027 496 1 . 1 1 108 108 VAL HA H 108 3.092 3.092 3.719 -0.627 18027 497 1 . 1 1 108 108 VAL CA C 108 64.210 64.210 66.032 -1.822 18027 498 1 . 1 1 108 108 VAL CB C 108 28.910 28.910 31.528 -2.618 18027 499 1 . 1 1 108 108 VAL H H 108 7.425 7.425 7.503 -0.078 18027 500 1 . 1 1 109 109 MET N N 109 115.725 115.725 117.418 -1.693 18027 501 1 . 1 1 109 109 MET HA H 109 3.944 3.944 4.285 -0.341 18027 502 1 . 1 1 109 109 MET CA C 109 55.212 55.212 58.207 -2.995 18027 503 1 . 1 1 109 109 MET CB C 109 27.425 27.425 32.534 -5.109 18027 504 1 . 1 1 109 109 MET H H 109 7.972 7.972 7.553 0.419 18027 505 1 . 1 1 110 110 THR N N 110 116.999 116.999 114.929 2.070 18027 506 1 . 1 1 110 110 THR HA H 110 3.852 3.852 4.514 -0.662 18027 507 1 . 1 1 110 110 THR CA C 110 63.918 63.918 64.788 -0.870 18027 508 1 . 1 1 110 110 THR CB C 110 65.844 65.844 68.499 -2.655 18027 509 1 . 1 1 110 110 THR H H 110 8.691 8.691 8.445 0.246 18027 510 1 . 1 1 111 111 ASN N N 111 123.893 123.893 120.609 3.284 18027 511 1 . 1 1 111 111 ASN HA H 111 4.241 4.241 4.584 -0.343 18027 512 1 . 1 1 111 111 ASN CA C 111 52.949 52.949 55.270 -2.321 18027 513 1 . 1 1 111 111 ASN CB C 111 34.964 34.964 38.592 -3.628 18027 514 1 . 1 1 111 111 ASN H H 111 7.911 7.911 8.043 -0.132 18027 515 1 . 1 1 112 112 LEU N N 112 119.244 119.244 117.668 1.576 18027 516 1 . 1 1 112 112 LEU HA H 112 4.072 4.072 4.213 -0.141 18027 517 1 . 1 1 112 112 LEU CA C 112 52.901 52.901 55.023 -2.122 18027 518 1 . 1 1 112 112 LEU CB C 112 39.533 39.533 42.302 -2.769 18027 519 1 . 1 1 112 112 LEU H H 112 7.618 7.618 7.428 0.190 18027 520 1 . 1 1 113 113 GLY N N 113 107.263 107.263 106.456 0.807 18027 521 1 . 1 1 113 113 GLY CA C 113 42.437 42.437 44.749 -2.312 18027 522 1 . 1 1 113 113 GLY H H 113 7.743 7.743 7.392 0.350 18027 523 1 . 1 1 114 114 GLU N N 114 120.073 120.073 119.218 0.855 18027 524 1 . 1 1 114 114 GLU HA H 114 4.290 4.290 4.579 -0.289 18027 525 1 . 1 1 114 114 GLU CA C 114 51.526 51.526 54.906 -3.380 18027 526 1 . 1 1 114 114 GLU CB C 114 27.539 27.539 32.812 -5.274 18027 527 1 . 1 1 114 114 GLU H H 114 7.857 7.857 7.810 0.047 18027 528 1 . 1 1 115 115 LYS N N 115 124.142 124.142 123.942 0.200 18027 529 1 . 1 1 115 115 LYS HA H 115 4.220 4.220 4.591 -0.371 18027 530 1 . 1 1 115 115 LYS CA C 115 52.894 52.894 55.662 -2.769 18027 531 1 . 1 1 115 115 LYS CB C 115 29.481 29.481 33.078 -3.597 18027 532 1 . 1 1 115 115 LYS H H 115 8.377 8.377 8.535 -0.158 18027 533 1 . 1 1 116 116 LEU N N 116 125.240 125.240 124.644 0.596 18027 534 1 . 1 1 116 116 LEU HA H 116 4.472 4.472 4.677 -0.205 18027 535 1 . 1 1 116 116 LEU CA C 116 51.438 51.438 53.467 -2.029 18027 536 1 . 1 1 116 116 LEU CB C 116 40.675 40.675 44.435 -3.760 18027 537 1 . 1 1 116 116 LEU H H 116 8.002 8.002 8.410 -0.408 18027 538 1 . 1 1 117 117 THR N N 117 113.520 113.520 112.862 0.658 18027 539 1 . 1 1 117 117 THR CA C 117 57.922 57.922 60.863 -2.941 18027 540 1 . 1 1 117 117 THR CB C 117 68.352 68.352 70.341 -1.989 18027 541 1 . 1 1 117 117 THR H H 117 8.927 8.927 8.507 0.420 18027 542 1 . 1 1 118 118 ASP N N 118 120.859 120.859 121.522 -0.663 18027 543 1 . 1 1 118 118 ASP HA H 118 4.043 4.043 4.421 -0.378 18027 544 1 . 1 1 118 118 ASP CA C 118 55.165 55.165 57.372 -2.207 18027 545 1 . 1 1 118 118 ASP CB C 118 36.774 36.774 40.883 -4.109 18027 546 1 . 1 1 118 118 ASP H H 118 8.754 8.754 8.764 -0.010 18027 547 1 . 1 1 119 119 GLU N N 119 119.112 119.112 118.575 0.537 18027 548 1 . 1 1 119 119 GLU HA H 119 3.927 3.927 4.059 -0.132 18027 549 1 . 1 1 119 119 GLU CA C 119 57.190 57.190 59.017 -1.827 18027 550 1 . 1 1 119 119 GLU CB C 119 26.283 26.283 29.438 -3.155 18027 551 1 . 1 1 119 119 GLU H H 119 8.507 8.507 8.612 -0.105 18027 552 1 . 1 1 120 120 GLU N N 120 120.059 120.059 118.109 1.950 18027 553 1 . 1 1 120 120 GLU HA H 120 3.858 3.858 4.179 -0.321 18027 554 1 . 1 1 120 120 GLU CA C 120 56.459 56.459 58.355 -1.896 18027 555 1 . 1 1 120 120 GLU CB C 120 27.517 27.517 29.808 -2.291 18027 556 1 . 1 1 120 120 GLU H H 120 7.809 7.809 7.803 0.006 18027 557 1 . 1 1 121 121 VAL N N 121 120.512 120.512 119.467 1.045 18027 558 1 . 1 1 121 121 VAL HA H 121 3.472 3.472 3.716 -0.244 18027 559 1 . 1 1 121 121 VAL CA C 121 64.082 64.082 66.075 -1.993 18027 560 1 . 1 1 121 121 VAL CB C 121 28.567 28.567 31.641 -3.074 18027 561 1 . 1 1 121 121 VAL H H 121 7.898 7.898 7.314 0.584 18027 562 1 . 1 1 122 122 ASP N N 122 119.857 119.857 119.717 0.140 18027 563 1 . 1 1 122 122 ASP HA H 122 4.168 4.168 4.330 -0.162 18027 564 1 . 1 1 122 122 ASP CA C 122 54.906 54.906 57.757 -2.850 18027 565 1 . 1 1 122 122 ASP CB C 122 37.477 37.477 40.826 -3.349 18027 566 1 . 1 1 122 122 ASP H H 122 7.897 7.897 7.870 0.027 18027 567 1 . 1 1 123 123 GLU N N 123 119.630 119.630 118.449 1.181 18027 568 1 . 1 1 123 123 GLU HA H 123 3.838 3.838 4.103 -0.265 18027 569 1 . 1 1 123 123 GLU CA C 123 57.077 57.077 58.689 -1.612 18027 570 1 . 1 1 123 123 GLU CB C 123 26.169 26.169 29.599 -3.430 18027 571 1 . 1 1 123 123 GLU H H 123 7.963 7.963 7.675 0.288 18027 572 1 . 1 1 124 124 MET N N 124 119.144 119.144 116.998 2.146 18027 573 1 . 1 1 124 124 MET HA H 124 3.859 3.859 4.253 -0.394 18027 574 1 . 1 1 124 124 MET CA C 124 56.508 56.508 57.935 -1.427 18027 575 1 . 1 1 124 124 MET CB C 124 29.253 29.253 33.006 -3.753 18027 576 1 . 1 1 124 124 MET H H 124 7.631 7.631 7.629 0.002 18027 577 1 . 1 1 125 125 ILE N N 125 117.557 117.557 119.680 -2.123 18027 578 1 . 1 1 125 125 ILE HA H 125 3.284 3.284 3.919 -0.635 18027 579 1 . 1 1 125 125 ILE CA C 125 61.139 61.139 64.488 -3.349 18027 580 1 . 1 1 125 125 ILE CB C 125 34.050 34.050 37.806 -3.756 18027 581 1 . 1 1 125 125 ILE H H 125 7.669 7.669 7.460 0.209 18027 582 1 . 1 1 126 126 ARG N N 126 118.414 118.414 119.625 -1.212 18027 583 1 . 1 1 126 126 ARG HA H 126 3.858 3.858 4.206 -0.348 18027 584 1 . 1 1 126 126 ARG CA C 126 56.802 56.802 58.636 -1.834 18027 585 1 . 1 1 126 126 ARG CB C 126 27.425 27.425 29.698 -2.273 18027 586 1 . 1 1 126 126 ARG H H 126 7.952 7.952 7.576 0.376 18027 587 1 . 1 1 127 127 GLU N N 127 116.143 116.143 117.744 -1.601 18027 588 1 . 1 1 127 127 GLU HA H 127 3.858 3.858 4.298 -0.439 18027 589 1 . 1 1 127 127 GLU CA C 127 56.215 56.215 58.035 -1.820 18027 590 1 . 1 1 127 127 GLU CB C 127 27.197 27.197 30.031 -2.834 18027 591 1 . 1 1 127 127 GLU H H 127 7.294 7.294 7.989 -0.695 18027 592 1 . 1 1 128 128 ALA N N 128 116.994 116.994 119.769 -2.775 18027 593 1 . 1 1 128 128 ALA HA H 128 4.453 4.453 4.591 -0.138 18027 594 1 . 1 1 128 128 ALA CA C 128 48.172 48.172 51.848 -3.676 18027 595 1 . 1 1 128 128 ALA CB C 128 19.772 19.772 20.927 -1.155 18027 596 1 . 1 1 128 128 ALA H H 128 7.110 7.110 7.295 -0.185 18027 597 1 . 1 1 129 129 ASP N N 129 117.846 117.846 121.321 -3.475 18027 598 1 . 1 1 129 129 ASP HA H 129 4.442 4.442 4.902 -0.460 18027 599 1 . 1 1 129 129 ASP CA C 129 51.633 51.633 54.401 -2.768 18027 600 1 . 1 1 129 129 ASP CB C 129 38.505 38.505 40.659 -2.154 18027 601 1 . 1 1 129 129 ASP H H 129 7.508 7.508 8.532 -1.024 18027 602 1 . 1 1 130 130 ILE N N 130 128.118 128.118 121.037 7.081 18027 603 1 . 1 1 130 130 ILE HA H 130 3.750 3.750 4.013 -0.263 18027 604 1 . 1 1 130 130 ILE CA C 130 60.583 60.583 63.675 -3.092 18027 605 1 . 1 1 130 130 ILE CB C 130 35.763 35.763 38.041 -2.278 18027 606 1 . 1 1 130 130 ILE H H 130 8.168 8.168 8.285 -0.117 18027 607 1 . 1 1 131 131 ASP N N 131 116.572 116.572 119.590 -3.018 18027 608 1 . 1 1 131 131 ASP HA H 131 4.296 4.296 4.585 -0.289 18027 609 1 . 1 1 131 131 ASP CA C 131 51.122 51.122 53.562 -2.440 18027 610 1 . 1 1 131 131 ASP CB C 131 37.477 37.477 40.736 -3.259 18027 611 1 . 1 1 131 131 ASP H H 131 8.136 8.136 8.144 -0.008 18027 612 1 . 1 1 132 132 GLY N N 132 108.411 108.411 108.867 -0.456 18027 613 1 . 1 1 132 132 GLY CA C 132 44.507 44.507 46.008 -1.501 18027 614 1 . 1 1 132 132 GLY H H 132 7.460 7.460 8.271 -0.811 18027 615 1 . 1 1 133 133 ASP N N 133 120.424 120.424 119.829 0.595 18027 616 1 . 1 1 133 133 ASP HA H 133 4.296 4.296 4.508 -0.212 18027 617 1 . 1 1 133 133 ASP CA C 133 50.853 50.853 53.797 -2.944 18027 618 1 . 1 1 133 133 ASP H H 133 8.177 8.177 8.121 0.056 18027 619 1 . 1 1 134 134 GLY N N 134 112.396 112.396 107.350 5.046 18027 620 1 . 1 1 134 134 GLY CA C 134 43.053 43.053 45.250 -2.197 18027 621 1 . 1 1 134 134 GLY H H 134 10.043 10.043 7.967 2.076 18027 622 1 . 1 1 135 135 GLN N N 135 115.588 115.588 118.348 -2.760 18027 623 1 . 1 1 135 135 GLN HA H 135 4.804 4.804 5.219 -0.415 18027 624 1 . 1 1 135 135 GLN CA C 135 50.415 50.415 53.748 -3.333 18027 625 1 . 1 1 135 135 GLN CB C 135 30.281 30.281 33.406 -3.125 18027 626 1 . 1 1 135 135 GLN H H 135 7.866 7.866 7.646 0.220 18027 627 1 . 1 1 136 136 VAL N N 136 124.910 124.910 121.115 3.795 18027 628 1 . 1 1 136 136 VAL HA H 136 4.999 4.999 4.382 0.617 18027 629 1 . 1 1 136 136 VAL CA C 136 58.707 58.707 60.625 -1.918 18027 630 1 . 1 1 136 136 VAL CB C 136 31.080 31.080 32.830 -1.750 18027 631 1 . 1 1 136 136 VAL H H 136 8.856 8.856 8.655 0.201 18027 632 1 . 1 1 137 137 ASN N N 137 129.009 129.009 123.876 5.133 18027 633 1 . 1 1 137 137 ASN HA H 137 5.173 5.173 5.104 0.069 18027 634 1 . 1 1 137 137 ASN CA C 137 48.083 48.083 51.986 -3.903 18027 635 1 . 1 1 137 137 ASN CB C 137 35.634 35.634 40.723 -5.089 18027 636 1 . 1 1 137 137 ASN H H 137 9.390 9.390 8.615 0.775 18027 637 1 . 1 1 138 138 TYR N N 138 118.471 118.471 120.315 -1.844 18027 638 1 . 1 1 138 138 TYR HA H 138 4.478 4.478 4.286 0.192 18027 639 1 . 1 1 138 138 TYR CA C 138 59.799 59.799 61.578 -1.779 18027 640 1 . 1 1 138 138 TYR CB C 138 35.535 35.535 37.773 -2.238 18027 641 1 . 1 1 138 138 TYR H H 138 8.075 8.075 8.769 -0.694 18027 642 1 . 1 1 139 139 GLU N N 139 118.535 118.535 119.304 -0.769 18027 643 1 . 1 1 139 139 GLU HA H 139 3.838 3.838 4.082 -0.244 18027 644 1 . 1 1 139 139 GLU CA C 139 57.532 57.532 59.443 -1.911 18027 645 1 . 1 1 139 139 GLU CB C 139 25.940 25.940 28.804 -2.864 18027 646 1 . 1 1 139 139 GLU H H 139 7.925 7.925 8.184 -0.259 18027 647 1 . 1 1 140 140 GLU N N 140 119.583 119.583 119.381 0.202 18027 648 1 . 1 1 140 140 GLU HA H 140 3.849 3.849 4.178 -0.329 18027 649 1 . 1 1 140 140 GLU CA C 140 56.082 56.082 58.578 -2.495 18027 650 1 . 1 1 140 140 GLU CB C 140 26.511 26.511 29.444 -2.933 18027 651 1 . 1 1 140 140 GLU H H 140 8.664 8.664 8.477 0.187 18027 652 1 . 1 1 141 141 PHE N N 141 123.810 123.810 120.559 3.251 18027 653 1 . 1 1 141 141 PHE HA H 141 3.721 3.721 4.207 -0.486 18027 654 1 . 1 1 141 141 PHE CA C 141 59.092 59.092 61.417 -2.325 18027 655 1 . 1 1 141 141 PHE CB C 141 37.705 37.705 39.337 -1.632 18027 656 1 . 1 1 141 141 PHE H H 141 8.395 8.395 8.219 0.176 18027 657 1 . 1 1 142 142 VAL N N 142 118.551 118.551 118.382 0.169 18027 658 1 . 1 1 142 142 VAL HA H 142 3.092 3.092 3.649 -0.557 18027 659 1 . 1 1 142 142 VAL CA C 142 64.182 64.182 66.266 -2.084 18027 660 1 . 1 1 142 142 VAL CB C 142 28.796 28.796 31.821 -3.025 18027 661 1 . 1 1 142 142 VAL H H 142 8.484 8.484 8.165 0.319 18027 662 1 . 1 1 143 143 GLN N N 143 119.672 119.672 118.120 1.552 18027 663 1 . 1 1 143 143 GLN HA H 143 3.838 3.838 4.059 -0.221 18027 664 1 . 1 1 143 143 GLN CA C 143 56.273 56.273 58.163 -1.890 18027 665 1 . 1 1 143 143 GLN CB C 143 24.912 24.912 28.593 -3.681 18027 666 1 . 1 1 143 143 GLN H H 143 7.803 7.803 7.578 0.225 18027 667 1 . 1 1 144 144 MET N N 144 116.710 116.710 117.487 -0.777 18027 668 1 . 1 1 144 144 MET HA H 144 3.943 3.943 4.133 -0.190 18027 669 1 . 1 1 144 144 MET CA C 144 55.387 55.387 57.705 -2.318 18027 670 1 . 1 1 144 144 MET CB C 144 29.709 29.709 32.289 -2.580 18027 671 1 . 1 1 144 144 MET H H 144 7.322 7.322 7.504 -0.182 18027 672 1 . 1 1 145 145 MET N N 145 114.879 114.879 115.003 -0.124 18027 673 1 . 1 1 145 145 MET HA H 145 4.062 4.062 4.398 -0.336 18027 674 1 . 1 1 145 145 MET CA C 145 53.291 53.291 56.849 -3.558 18027 675 1 . 1 1 145 145 MET CB C 145 29.253 29.253 32.940 -3.687 18027 676 1 . 1 1 145 145 MET H H 145 7.467 7.467 7.559 -0.092 18027 677 1 . 1 1 146 146 THR N N 146 108.698 108.698 110.710 -2.012 18027 678 1 . 1 1 146 146 THR HA H 146 4.136 4.136 4.358 -0.222 18027 679 1 . 1 1 146 146 THR CA C 146 59.201 59.201 61.635 -2.434 18027 680 1 . 1 1 146 146 THR CB C 146 67.404 67.404 69.413 -2.009 18027 681 1 . 1 1 146 146 THR H H 146 7.551 7.551 7.541 0.010 18027 682 1 . 1 1 147 147 ALA N N 147 126.669 126.669 124.898 1.771 18027 683 1 . 1 1 147 147 ALA HA H 147 4.145 4.145 4.440 -0.295 18027 684 1 . 1 1 147 147 ALA CA C 147 50.073 50.073 51.779 -1.706 18027 685 1 . 1 1 147 147 ALA CB C 147 16.345 16.345 19.996 -3.651 18027 686 1 . 1 1 147 147 ALA H H 147 7.596 7.596 7.303 0.293 18027 stop_ save_