data_11451 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 11451 _Entry.PDB_ID 2RS4 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 11451 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 VAL N N 2 123.776 123.776 124.871 -1.095 11451 2 1 1 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.763 0.012 11451 3 1 1 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.630 0.394 11451 4 1 1 . 1 1 2 2 VAL CB C 2 35.131 35.131 35.188 -0.057 11451 5 1 1 . 1 1 2 2 VAL H H 2 8.961 8.961 8.994 -0.033 11451 6 1 1 . 1 1 3 3 THR N N 3 121.749 121.749 123.411 -1.662 11451 7 1 1 . 1 1 3 3 THR HA H 3 5.053 5.053 4.895 0.158 11451 8 1 1 . 1 1 3 3 THR CA C 3 61.176 61.176 61.769 -0.593 11451 9 1 1 . 1 1 3 3 THR CB C 3 70.356 70.356 69.511 0.845 11451 10 1 1 . 1 1 3 3 THR H H 3 8.912 8.912 9.039 -0.127 11451 11 1 1 . 1 1 4 4 PHE N N 4 125.726 125.726 126.265 -0.539 11451 12 1 1 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.944 -0.149 11451 13 1 1 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.003 -0.992 11451 14 1 1 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.204 -1.483 11451 15 1 1 . 1 1 4 4 PHE H H 4 9.442 9.442 9.178 0.264 11451 16 1 1 . 1 1 5 5 HIS N N 5 125.337 125.337 124.570 0.767 11451 17 1 1 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.068 0.281 11451 18 1 1 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.247 -0.939 11451 19 1 1 . 1 1 5 5 HIS CB C 5 26.517 26.517 29.441 -2.924 11451 20 1 1 . 1 1 5 5 HIS H H 5 8.897 8.897 9.476 -0.579 11451 21 1 1 . 1 1 6 6 THR N N 6 115.752 115.752 117.140 -1.388 11451 22 1 1 . 1 1 6 6 THR HA H 6 6.126 6.126 5.154 0.972 11451 23 1 1 . 1 1 6 6 THR CA C 6 60.220 60.220 59.317 0.903 11451 24 1 1 . 1 1 6 6 THR CB C 6 72.515 72.515 71.268 1.247 11451 25 1 1 . 1 1 6 6 THR H H 6 7.881 7.881 8.217 -0.336 11451 26 1 1 . 1 1 7 7 ASN N N 7 119.451 119.451 124.197 -4.746 11451 27 1 1 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.562 0.013 11451 28 1 1 . 1 1 7 7 ASN CA C 7 54.493 54.493 55.226 -0.733 11451 29 1 1 . 1 1 7 7 ASN CB C 7 35.334 35.334 37.919 -2.585 11451 30 1 1 . 1 1 7 7 ASN H H 7 9.334 9.334 9.038 0.296 11451 31 1 1 . 1 1 8 8 HIS N N 8 118.490 118.490 117.448 1.042 11451 32 1 1 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.725 -0.234 11451 33 1 1 . 1 1 8 8 HIS CA C 8 56.790 56.790 57.035 -0.245 11451 34 1 1 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.164 1.470 11451 35 1 1 . 1 1 8 8 HIS H H 8 8.663 8.663 7.682 0.981 11451 36 1 1 . 1 1 9 9 GLY N N 9 108.550 108.550 106.300 2.250 11451 37 1 1 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.425 -0.825 11451 38 1 1 . 1 1 9 9 GLY H H 9 7.320 7.320 7.619 -0.299 11451 39 1 1 . 1 1 10 10 ASP N N 10 123.900 123.900 121.423 2.477 11451 40 1 1 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.273 0.347 11451 41 1 1 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.616 -0.306 11451 42 1 1 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.877 -0.376 11451 43 1 1 . 1 1 10 10 ASP H H 10 8.857 8.857 8.488 0.369 11451 44 1 1 . 1 1 11 11 ILE N N 11 121.150 121.150 123.734 -2.584 11451 45 1 1 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.559 -0.223 11451 46 1 1 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.211 1.065 11451 47 1 1 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.089 -0.430 11451 48 1 1 . 1 1 11 11 ILE H H 11 8.638 8.638 8.867 -0.229 11451 49 1 1 . 1 1 12 12 VAL N N 12 129.487 129.487 125.572 3.915 11451 50 1 1 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.666 -0.135 11451 51 1 1 . 1 1 12 12 VAL CA C 12 62.310 62.310 61.016 1.294 11451 52 1 1 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.616 -2.374 11451 53 1 1 . 1 1 12 12 VAL H H 12 8.771 8.771 8.899 -0.128 11451 54 1 1 . 1 1 13 13 ILE N N 13 127.702 127.702 126.419 1.283 11451 55 1 1 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.769 -0.099 11451 56 1 1 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.593 0.145 11451 57 1 1 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.416 0.143 11451 58 1 1 . 1 1 13 13 ILE H H 13 9.527 9.527 9.065 0.462 11451 59 1 1 . 1 1 14 14 LYS N N 14 126.574 126.574 127.055 -0.481 11451 60 1 1 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.577 0.200 11451 61 1 1 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.696 -0.853 11451 62 1 1 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.897 0.604 11451 63 1 1 . 1 1 14 14 LYS H H 14 8.684 8.684 8.725 -0.041 11451 64 1 1 . 1 1 15 15 THR N N 15 113.811 113.811 117.636 -3.825 11451 65 1 1 . 1 1 15 15 THR HA H 15 4.130 4.130 4.271 -0.141 11451 66 1 1 . 1 1 15 15 THR CA C 15 59.806 59.806 60.677 -0.871 11451 67 1 1 . 1 1 15 15 THR CB C 15 69.319 69.319 69.681 -0.362 11451 68 1 1 . 1 1 15 15 THR H H 15 8.343 8.343 8.361 -0.018 11451 69 1 1 . 1 1 16 16 PHE N N 16 122.611 122.611 124.283 -1.672 11451 70 1 1 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.725 0.550 11451 71 1 1 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.869 -1.579 11451 72 1 1 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.860 -0.490 11451 73 1 1 . 1 1 16 16 PHE H H 16 8.315 8.315 8.874 -0.560 11451 74 1 1 . 1 1 17 17 ASP N N 17 120.182 120.182 122.900 -2.718 11451 75 1 1 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.561 -0.799 11451 76 1 1 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.527 0.431 11451 77 1 1 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.971 -2.022 11451 78 1 1 . 1 1 17 17 ASP H H 17 9.106 9.106 8.125 0.981 11451 79 1 1 . 1 1 18 18 ASP N N 18 111.686 111.686 117.988 -6.302 11451 80 1 1 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.573 -0.198 11451 81 1 1 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.128 -1.105 11451 82 1 1 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.854 -1.091 11451 83 1 1 . 1 1 18 18 ASP H H 18 8.584 8.584 8.774 -0.190 11451 84 1 1 . 1 1 19 19 LYS N N 19 118.003 118.003 116.529 1.474 11451 85 1 1 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.436 0.000 11451 86 1 1 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.626 -0.239 11451 87 1 1 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.537 0.330 11451 88 1 1 . 1 1 19 19 LYS H H 19 7.333 7.333 7.369 -0.036 11451 89 1 1 . 1 1 20 20 ALA N N 20 123.657 123.657 121.312 2.345 11451 90 1 1 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.026 -0.408 11451 91 1 1 . 1 1 20 20 ALA CA C 20 50.117 50.117 51.039 -0.922 11451 92 1 1 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.790 -0.555 11451 93 1 1 . 1 1 20 20 ALA H H 20 7.560 7.560 8.202 -0.642 11451 94 1 1 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.275 0.149 11451 95 1 1 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.688 0.589 11451 96 1 1 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.776 -0.268 11451 97 1 1 . 1 1 22 22 GLU N N 22 122.557 122.557 118.630 3.927 11451 98 1 1 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.158 -0.146 11451 99 1 1 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.151 0.473 11451 100 1 1 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.888 -0.408 11451 101 1 1 . 1 1 22 22 GLU H H 22 9.855 9.855 8.205 1.650 11451 102 1 1 . 1 1 23 23 THR N N 23 122.201 122.201 117.682 4.519 11451 103 1 1 . 1 1 23 23 THR HA H 23 3.584 3.584 4.124 -0.540 11451 104 1 1 . 1 1 23 23 THR CA C 23 66.554 66.554 66.953 -0.399 11451 105 1 1 . 1 1 23 23 THR CB C 23 67.614 67.614 68.686 -1.072 11451 106 1 1 . 1 1 23 23 THR H H 23 9.390 9.390 8.745 0.645 11451 107 1 1 . 1 1 24 24 VAL N N 24 125.111 125.111 121.720 3.391 11451 108 1 1 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.754 -0.269 11451 109 1 1 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.846 1.462 11451 110 1 1 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.514 -0.625 11451 111 1 1 . 1 1 24 24 VAL H H 24 9.359 9.359 8.525 0.834 11451 112 1 1 . 1 1 25 25 LYS N N 25 121.050 121.050 120.269 0.781 11451 113 1 1 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.957 -0.089 11451 114 1 1 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.504 0.735 11451 115 1 1 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.914 -0.217 11451 116 1 1 . 1 1 25 25 LYS H H 25 7.686 7.686 8.521 -0.835 11451 117 1 1 . 1 1 26 26 ASN N N 26 116.337 116.337 117.461 -1.124 11451 118 1 1 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.461 -0.405 11451 119 1 1 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.114 0.445 11451 120 1 1 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.476 2.216 11451 121 1 1 . 1 1 26 26 ASN H H 26 7.535 7.535 7.718 -0.183 11451 122 1 1 . 1 1 27 27 PHE N N 27 119.858 119.858 121.812 -1.954 11451 123 1 1 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.443 0.096 11451 124 1 1 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.428 -0.495 11451 125 1 1 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.075 0.756 11451 126 1 1 . 1 1 27 27 PHE H H 27 7.867 7.867 7.847 0.020 11451 127 1 1 . 1 1 28 28 LEU N N 28 120.761 120.761 119.796 0.965 11451 128 1 1 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.800 -0.057 11451 129 1 1 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.122 -0.254 11451 130 1 1 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.330 -0.076 11451 131 1 1 . 1 1 28 28 LEU H H 28 9.377 9.377 8.750 0.627 11451 132 1 1 . 1 1 29 29 ASP N N 29 121.607 121.607 119.205 2.402 11451 133 1 1 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.299 -0.004 11451 134 1 1 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.626 0.203 11451 135 1 1 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.402 -1.376 11451 136 1 1 . 1 1 29 29 ASP H H 29 8.374 8.374 8.541 -0.167 11451 137 1 1 . 1 1 30 30 TYR N N 30 118.959 118.959 119.441 -0.482 11451 138 1 1 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.305 -0.300 11451 139 1 1 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.661 0.086 11451 140 1 1 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.307 -0.568 11451 141 1 1 . 1 1 30 30 TYR H H 30 7.287 7.287 7.490 -0.203 11451 142 1 1 . 1 1 31 31 CYS N N 31 116.202 116.202 118.133 -1.931 11451 143 1 1 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.202 -0.168 11451 144 1 1 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.671 0.732 11451 145 1 1 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.373 -0.152 11451 146 1 1 . 1 1 31 31 CYS H H 31 8.336 8.336 8.237 0.099 11451 147 1 1 . 1 1 32 32 ARG N N 32 121.949 121.949 120.986 0.963 11451 148 1 1 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.108 -0.246 11451 149 1 1 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.924 0.795 11451 150 1 1 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.081 0.293 11451 151 1 1 . 1 1 32 32 ARG H H 32 9.077 9.077 8.352 0.725 11451 152 1 1 . 1 1 33 33 GLU N N 33 116.667 116.667 116.313 0.354 11451 153 1 1 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.314 -0.127 11451 154 1 1 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.389 0.059 11451 155 1 1 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.680 -0.422 11451 156 1 1 . 1 1 33 33 GLU H H 33 7.920 7.920 7.697 0.223 11451 157 1 1 . 1 1 34 34 GLY N N 34 107.273 107.273 106.864 0.409 11451 158 1 1 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.232 0.166 11451 159 1 1 . 1 1 34 34 GLY H H 34 7.533 7.533 7.949 -0.416 11451 160 1 1 . 1 1 35 35 PHE N N 35 122.134 122.134 121.411 0.723 11451 161 1 1 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.211 -0.546 11451 162 1 1 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.541 2.064 11451 163 1 1 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.519 0.551 11451 164 1 1 . 1 1 35 35 PHE H H 35 8.129 8.129 8.428 -0.299 11451 165 1 1 . 1 1 36 36 TYR N N 36 111.250 111.250 115.393 -4.143 11451 166 1 1 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.354 -0.030 11451 167 1 1 . 1 1 36 36 TYR CA C 36 57.678 57.678 57.917 -0.239 11451 168 1 1 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.358 -0.898 11451 169 1 1 . 1 1 36 36 TYR H H 36 7.355 7.355 8.364 -1.009 11451 170 1 1 . 1 1 37 37 ASN N N 37 121.890 121.890 119.984 1.906 11451 171 1 1 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.585 -0.760 11451 172 1 1 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.177 0.002 11451 173 1 1 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.283 -2.428 11451 174 1 1 . 1 1 37 37 ASN H H 37 7.106 7.106 7.689 -0.583 11451 175 1 1 . 1 1 38 38 ASN N N 38 121.572 121.572 119.506 2.066 11451 176 1 1 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.396 -0.348 11451 177 1 1 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.494 0.226 11451 178 1 1 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.673 0.865 11451 179 1 1 . 1 1 38 38 ASN H H 38 9.235 9.235 8.665 0.570 11451 180 1 1 . 1 1 39 39 THR N N 39 104.540 104.540 107.563 -3.023 11451 181 1 1 . 1 1 39 39 THR HA H 39 5.006 5.006 5.237 -0.231 11451 182 1 1 . 1 1 39 39 THR CA C 39 59.979 59.979 59.808 0.171 11451 183 1 1 . 1 1 39 39 THR CB C 39 72.789 72.789 71.320 1.469 11451 184 1 1 . 1 1 39 39 THR H H 39 7.328 7.328 7.373 -0.045 11451 185 1 1 . 1 1 40 40 ILE N N 40 108.904 108.904 116.268 -7.364 11451 186 1 1 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.106 0.563 11451 187 1 1 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.668 0.132 11451 188 1 1 . 1 1 40 40 ILE CB C 40 39.724 39.724 40.887 -1.163 11451 189 1 1 . 1 1 40 40 ILE H H 40 7.943 7.943 8.610 -0.667 11451 190 1 1 . 1 1 41 41 PHE N N 41 122.068 122.068 122.650 -0.582 11451 191 1 1 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.655 0.305 11451 192 1 1 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.613 1.204 11451 193 1 1 . 1 1 41 41 PHE CB C 41 37.410 37.410 37.850 -0.440 11451 194 1 1 . 1 1 41 41 PHE H H 41 8.289 8.289 8.188 0.101 11451 195 1 1 . 1 1 42 42 HIS N N 42 121.477 121.477 119.421 2.056 11451 196 1 1 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.472 -0.196 11451 197 1 1 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.063 0.535 11451 198 1 1 . 1 1 42 42 HIS CB C 42 31.663 31.663 29.938 1.726 11451 199 1 1 . 1 1 42 42 HIS H H 42 7.862 7.862 7.893 -0.031 11451 200 1 1 . 1 1 43 43 ARG N N 43 123.403 123.403 118.113 5.290 11451 201 1 1 . 1 1 43 43 ARG HA H 43 4.616 4.616 5.038 -0.422 11451 202 1 1 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.303 1.015 11451 203 1 1 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.934 -1.659 11451 204 1 1 . 1 1 43 43 ARG H H 43 6.933 6.933 7.399 -0.466 11451 205 1 1 . 1 1 44 44 VAL N N 44 129.359 129.359 122.919 6.440 11451 206 1 1 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.396 -0.256 11451 207 1 1 . 1 1 44 44 VAL CA C 44 62.374 62.374 61.551 0.823 11451 208 1 1 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.511 -0.320 11451 209 1 1 . 1 1 44 44 VAL H H 44 9.023 9.023 8.871 0.152 11451 210 1 1 . 1 1 45 45 ILE N N 45 126.532 126.532 125.865 0.667 11451 211 1 1 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.515 -0.279 11451 212 1 1 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.811 0.653 11451 213 1 1 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.931 -1.981 11451 214 1 1 . 1 1 45 45 ILE H H 45 8.243 8.243 8.083 0.160 11451 215 1 1 . 1 1 46 46 ASN N N 46 128.015 128.015 127.638 0.377 11451 216 1 1 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.543 -0.382 11451 217 1 1 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.500 -0.159 11451 218 1 1 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.597 -1.923 11451 219 1 1 . 1 1 46 46 ASN H H 46 9.127 9.127 8.814 0.313 11451 220 1 1 . 1 1 47 47 GLY N N 47 110.314 110.314 108.283 2.031 11451 221 1 1 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.448 0.182 11451 222 1 1 . 1 1 47 47 GLY H H 47 7.542 7.542 8.907 -1.365 11451 223 1 1 . 1 1 48 48 PHE N N 48 116.701 116.701 118.901 -2.200 11451 224 1 1 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.845 0.297 11451 225 1 1 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.193 1.307 11451 226 1 1 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.175 -2.847 11451 227 1 1 . 1 1 48 48 PHE H H 48 7.800 7.800 7.780 0.020 11451 228 1 1 . 1 1 49 49 MET N N 49 117.710 117.710 117.819 -0.109 11451 229 1 1 . 1 1 49 49 MET HA H 49 5.027 5.027 4.577 0.450 11451 230 1 1 . 1 1 49 49 MET CA C 49 55.009 55.009 53.040 1.969 11451 231 1 1 . 1 1 49 49 MET CB C 49 35.120 35.120 33.438 1.683 11451 232 1 1 . 1 1 49 49 MET H H 49 8.363 8.363 7.040 1.323 11451 233 1 1 . 1 1 50 50 ILE N N 50 110.774 110.774 113.324 -2.550 11451 234 1 1 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.846 0.021 11451 235 1 1 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.341 0.394 11451 236 1 1 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.459 -0.198 11451 237 1 1 . 1 1 50 50 ILE H H 50 7.749 7.749 7.775 -0.026 11451 238 1 1 . 1 1 51 51 GLN N N 51 127.997 127.997 125.231 2.766 11451 239 1 1 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.920 0.281 11451 240 1 1 . 1 1 51 51 GLN CA C 51 54.052 54.052 54.028 0.024 11451 241 1 1 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.410 -0.726 11451 242 1 1 . 1 1 51 51 GLN H H 51 9.198 9.198 8.047 1.151 11451 243 1 1 . 1 1 52 52 GLY N N 52 111.413 111.413 107.360 4.053 11451 244 1 1 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.147 1.147 11451 245 1 1 . 1 1 52 52 GLY H H 52 8.037 8.037 8.336 -0.299 11451 246 1 1 . 1 1 53 53 GLY N N 53 106.177 106.177 106.544 -0.367 11451 247 1 1 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.123 -0.046 11451 248 1 1 . 1 1 53 53 GLY H H 53 8.334 8.334 8.206 0.128 11451 249 1 1 . 1 1 54 54 GLY N N 54 129.939 129.939 106.145 23.794 11451 250 1 1 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.500 -0.088 11451 251 1 1 . 1 1 54 54 GLY H H 54 9.068 9.068 7.698 1.370 11451 252 1 1 . 1 1 55 55 PHE N N 55 121.195 121.195 116.338 4.857 11451 253 1 1 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.952 -0.065 11451 254 1 1 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.005 0.693 11451 255 1 1 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.485 -0.639 11451 256 1 1 . 1 1 55 55 PHE H H 55 9.329 9.329 7.240 2.089 11451 257 1 1 . 1 1 56 56 GLU N N 56 120.126 120.126 119.808 0.318 11451 258 1 1 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.070 -0.222 11451 259 1 1 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.422 0.777 11451 260 1 1 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.067 -0.615 11451 261 1 1 . 1 1 56 56 GLU H H 56 8.531 8.531 8.115 0.416 11451 262 1 1 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.340 -0.350 11451 263 1 1 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.439 0.424 11451 264 1 1 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.579 -0.712 11451 265 1 1 . 1 1 58 58 GLY N N 58 113.477 113.477 104.629 8.848 11451 266 1 1 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.258 0.108 11451 267 1 1 . 1 1 58 58 GLY H H 58 9.454 9.454 8.000 1.454 11451 268 1 1 . 1 1 59 59 MET N N 59 114.007 114.007 116.096 -2.089 11451 269 1 1 . 1 1 59 59 MET HA H 59 3.946 3.946 3.932 0.014 11451 270 1 1 . 1 1 59 59 MET CA C 59 54.650 54.650 55.879 -1.228 11451 271 1 1 . 1 1 59 59 MET CB C 59 25.875 25.875 29.172 -3.297 11451 272 1 1 . 1 1 59 59 MET H H 59 8.027 8.027 7.793 0.234 11451 273 1 1 . 1 1 60 60 LYS N N 60 120.420 120.420 120.292 0.128 11451 274 1 1 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.442 0.024 11451 275 1 1 . 1 1 60 60 LYS CA C 60 54.958 54.958 56.042 -1.085 11451 276 1 1 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.734 -0.424 11451 277 1 1 . 1 1 60 60 LYS H H 60 6.996 6.996 7.696 -0.700 11451 278 1 1 . 1 1 61 61 GLN N N 61 130.250 130.250 126.451 3.799 11451 279 1 1 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.053 -0.667 11451 280 1 1 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.161 0.618 11451 281 1 1 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.473 -1.032 11451 282 1 1 . 1 1 61 61 GLN H H 61 8.965 8.965 8.734 0.231 11451 283 1 1 . 1 1 62 62 LYS N N 62 126.196 126.196 123.584 2.612 11451 284 1 1 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.217 -0.087 11451 285 1 1 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.849 0.841 11451 286 1 1 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.551 0.221 11451 287 1 1 . 1 1 62 62 LYS H H 62 7.323 7.323 8.040 -0.717 11451 288 1 1 . 1 1 63 63 ALA N N 63 127.588 127.588 125.710 1.878 11451 289 1 1 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.517 -0.233 11451 290 1 1 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.344 1.301 11451 291 1 1 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.521 0.852 11451 292 1 1 . 1 1 63 63 ALA H H 63 8.458 8.458 8.786 -0.328 11451 293 1 1 . 1 1 64 64 THR N N 64 111.370 111.370 114.274 -2.904 11451 294 1 1 . 1 1 64 64 THR HA H 64 4.550 4.550 4.252 0.298 11451 295 1 1 . 1 1 64 64 THR CA C 64 60.554 60.554 62.392 -1.838 11451 296 1 1 . 1 1 64 64 THR CB C 64 71.700 71.700 69.329 2.371 11451 297 1 1 . 1 1 64 64 THR H H 64 8.122 8.122 7.780 0.342 11451 298 1 1 . 1 1 65 65 LYS N N 65 118.451 118.451 125.379 -6.928 11451 299 1 1 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.543 -0.124 11451 300 1 1 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.136 0.210 11451 301 1 1 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.596 -3.114 11451 302 1 1 . 1 1 65 65 LYS H H 65 7.879 7.879 8.284 -0.405 11451 303 1 1 . 1 1 66 66 GLU N N 66 118.805 118.805 119.503 -0.698 11451 304 1 1 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.121 0.036 11451 305 1 1 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.336 -0.454 11451 306 1 1 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.132 0.218 11451 307 1 1 . 1 1 66 66 GLU H H 66 7.872 7.872 8.650 -0.778 11451 308 1 1 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.529 0.325 11451 309 1 1 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.233 -1.078 11451 310 1 1 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.156 0.534 11451 311 1 1 . 1 1 68 68 ILE N N 68 112.686 112.686 123.794 -11.108 11451 312 1 1 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.422 0.015 11451 313 1 1 . 1 1 68 68 ILE CA C 68 58.971 58.971 60.039 -1.068 11451 314 1 1 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.035 1.490 11451 315 1 1 . 1 1 68 68 ILE H H 68 8.235 8.235 8.748 -0.513 11451 316 1 1 . 1 1 69 69 LYS N N 69 121.199 121.199 123.068 -1.869 11451 317 1 1 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.609 -0.667 11451 318 1 1 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.461 -0.401 11451 319 1 1 . 1 1 69 69 LYS CB C 69 32.140 32.140 33.172 -1.032 11451 320 1 1 . 1 1 69 69 LYS H H 69 7.849 7.849 8.400 -0.551 11451 321 1 1 . 1 1 70 70 ASN N N 70 126.585 126.585 120.113 6.472 11451 322 1 1 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.839 -0.617 11451 323 1 1 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.051 0.277 11451 324 1 1 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.567 -1.430 11451 325 1 1 . 1 1 70 70 ASN H H 70 10.816 10.816 9.162 1.654 11451 326 1 1 . 1 1 71 71 GLU N N 71 126.223 126.223 126.281 -0.058 11451 327 1 1 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.438 0.215 11451 328 1 1 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.990 -1.393 11451 329 1 1 . 1 1 71 71 GLU CB C 71 29.780 29.780 28.773 1.007 11451 330 1 1 . 1 1 71 71 GLU H H 71 8.202 8.202 8.703 -0.501 11451 331 1 1 . 1 1 72 72 ALA N N 72 120.736 120.736 123.474 -2.738 11451 332 1 1 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.213 0.019 11451 333 1 1 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.510 0.610 11451 334 1 1 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.005 -0.499 11451 335 1 1 . 1 1 72 72 ALA H H 72 9.149 9.149 7.872 1.277 11451 336 1 1 . 1 1 73 73 ASN N N 73 114.744 114.744 116.918 -2.174 11451 337 1 1 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.860 0.321 11451 338 1 1 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.356 -1.025 11451 339 1 1 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.651 -1.975 11451 340 1 1 . 1 1 73 73 ASN H H 73 7.892 7.892 8.275 -0.383 11451 341 1 1 . 1 1 74 74 ASN N N 74 119.796 119.796 118.109 1.687 11451 342 1 1 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.525 -0.146 11451 343 1 1 . 1 1 74 74 ASN CA C 74 52.767 52.767 52.919 -0.152 11451 344 1 1 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.206 0.209 11451 345 1 1 . 1 1 74 74 ASN H H 74 8.408 8.408 7.405 1.003 11451 346 1 1 . 1 1 75 75 GLY N N 75 108.891 108.891 108.031 0.860 11451 347 1 1 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.323 0.304 11451 348 1 1 . 1 1 75 75 GLY H H 75 7.971 7.971 7.491 0.480 11451 349 1 1 . 1 1 76 76 LEU N N 76 120.602 120.602 119.535 1.067 11451 350 1 1 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.323 -0.012 11451 351 1 1 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.817 -0.218 11451 352 1 1 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.735 -1.647 11451 353 1 1 . 1 1 76 76 LEU H H 76 7.734 7.734 7.988 -0.254 11451 354 1 1 . 1 1 77 77 LYS N N 77 121.982 121.982 118.827 3.155 11451 355 1 1 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.834 -0.384 11451 356 1 1 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.766 0.235 11451 357 1 1 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.733 -1.033 11451 358 1 1 . 1 1 77 77 LYS H H 77 8.161 8.161 8.201 -0.040 11451 359 1 1 . 1 1 78 78 ASN N N 78 124.764 124.764 122.208 2.556 11451 360 1 1 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.097 -0.430 11451 361 1 1 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.071 1.243 11451 362 1 1 . 1 1 78 78 ASN CB C 78 37.130 37.130 39.896 -2.766 11451 363 1 1 . 1 1 78 78 ASN H H 78 9.564 9.564 9.295 0.269 11451 364 1 1 . 1 1 79 79 THR N N 79 114.955 114.955 113.562 1.393 11451 365 1 1 . 1 1 79 79 THR HA H 79 4.263 4.263 4.807 -0.544 11451 366 1 1 . 1 1 79 79 THR CA C 79 60.774 60.774 60.072 0.702 11451 367 1 1 . 1 1 79 79 THR CB C 79 70.347 70.347 71.707 -1.360 11451 368 1 1 . 1 1 79 79 THR H H 79 8.190 8.190 8.776 -0.586 11451 369 1 1 . 1 1 80 80 ARG N N 80 124.080 124.080 122.708 1.372 11451 370 1 1 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.852 -0.649 11451 371 1 1 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.996 0.491 11451 372 1 1 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.543 -0.633 11451 373 1 1 . 1 1 80 80 ARG H H 80 9.203 9.203 9.252 -0.049 11451 374 1 1 . 1 1 81 81 GLY N N 81 115.741 115.741 113.841 1.900 11451 375 1 1 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.329 -0.258 11451 376 1 1 . 1 1 81 81 GLY H H 81 8.976 8.976 9.214 -0.238 11451 377 1 1 . 1 1 82 82 THR N N 82 110.362 110.362 111.172 -0.810 11451 378 1 1 . 1 1 82 82 THR HA H 82 4.623 4.623 4.654 -0.031 11451 379 1 1 . 1 1 82 82 THR CA C 82 61.694 61.694 59.839 1.855 11451 380 1 1 . 1 1 82 82 THR CB C 82 72.230 72.230 71.605 0.625 11451 381 1 1 . 1 1 82 82 THR H H 82 8.070 8.070 7.641 0.429 11451 382 1 1 . 1 1 83 83 LEU N N 83 121.341 121.341 122.866 -1.525 11451 383 1 1 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.316 -0.097 11451 384 1 1 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.939 0.411 11451 385 1 1 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.730 -2.211 11451 386 1 1 . 1 1 83 83 LEU H H 83 7.918 7.918 8.282 -0.364 11451 387 1 1 . 1 1 84 84 ALA N N 84 121.663 121.663 123.448 -1.785 11451 388 1 1 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.238 0.279 11451 389 1 1 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.810 -0.741 11451 390 1 1 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.744 1.242 11451 391 1 1 . 1 1 84 84 ALA H H 84 8.053 8.053 7.840 0.213 11451 392 1 1 . 1 1 85 85 MET N N 85 115.338 115.338 118.982 -3.644 11451 393 1 1 . 1 1 85 85 MET HA H 85 5.241 5.241 4.659 0.582 11451 394 1 1 . 1 1 85 85 MET CA C 85 52.707 52.707 55.505 -2.798 11451 395 1 1 . 1 1 85 85 MET CB C 85 29.801 29.801 34.013 -4.212 11451 396 1 1 . 1 1 85 85 MET H H 85 7.539 7.539 8.009 -0.470 11451 397 1 1 . 1 1 86 86 ALA N N 86 126.558 126.558 126.581 -0.023 11451 398 1 1 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.637 0.046 11451 399 1 1 . 1 1 86 86 ALA CA C 86 51.207 51.207 50.813 0.394 11451 400 1 1 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.911 -1.495 11451 401 1 1 . 1 1 86 86 ALA H H 86 8.287 8.287 8.804 -0.517 11451 402 1 1 . 1 1 87 87 ARG N N 87 113.623 113.623 120.260 -6.637 11451 403 1 1 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.461 0.173 11451 404 1 1 . 1 1 87 87 ARG CA C 87 55.768 55.768 56.271 -0.503 11451 405 1 1 . 1 1 87 87 ARG CB C 87 29.722 29.722 30.545 -0.823 11451 406 1 1 . 1 1 87 87 ARG H H 87 8.031 8.031 8.521 -0.490 11451 407 1 1 . 1 1 88 88 THR N N 88 111.627 111.627 115.666 -4.039 11451 408 1 1 . 1 1 88 88 THR HA H 88 4.624 4.624 4.339 0.285 11451 409 1 1 . 1 1 88 88 THR CA C 88 60.554 60.554 64.711 -4.157 11451 410 1 1 . 1 1 88 88 THR CB C 88 68.430 68.430 69.767 -1.337 11451 411 1 1 . 1 1 88 88 THR H H 88 7.892 7.892 8.104 -0.212 11451 412 1 1 . 1 1 89 89 GLN N N 89 117.361 117.361 115.874 1.487 11451 413 1 1 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.550 -0.699 11451 414 1 1 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.166 2.745 11451 415 1 1 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.894 -2.524 11451 416 1 1 . 1 1 89 89 GLN H H 89 8.188 8.188 8.339 -0.151 11451 417 1 1 . 1 1 90 90 ALA N N 90 122.998 122.998 123.966 -0.968 11451 418 1 1 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.929 -0.584 11451 419 1 1 . 1 1 90 90 ALA CA C 90 49.726 49.726 49.346 0.380 11451 420 1 1 . 1 1 90 90 ALA CB C 90 17.174 17.174 19.909 -2.735 11451 421 1 1 . 1 1 90 90 ALA H H 90 7.962 7.962 7.599 0.363 11451 422 1 1 . 1 1 91 91 PRO HA H 91 3.468 3.468 4.182 -0.714 11451 423 1 1 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.406 1.031 11451 424 1 1 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.568 -1.599 11451 425 1 1 . 1 1 92 92 HIS N N 92 118.470 118.470 115.072 3.398 11451 426 1 1 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.964 -0.140 11451 427 1 1 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.915 -1.714 11451 428 1 1 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.150 -0.841 11451 429 1 1 . 1 1 92 92 HIS H H 92 7.977 7.977 8.126 -0.149 11451 430 1 1 . 1 1 93 93 SER N N 93 108.425 108.425 114.835 -6.410 11451 431 1 1 . 1 1 93 93 SER HA H 93 4.380 4.380 4.645 -0.265 11451 432 1 1 . 1 1 93 93 SER CA C 93 57.696 57.696 57.831 -0.135 11451 433 1 1 . 1 1 93 93 SER CB C 93 65.924 65.924 63.816 2.108 11451 434 1 1 . 1 1 93 93 SER H H 93 6.374 6.374 7.892 -1.518 11451 435 1 1 . 1 1 94 94 ALA N N 94 130.109 130.109 126.409 3.700 11451 436 1 1 . 1 1 94 94 ALA HA H 94 4.276 4.276 4.846 -0.570 11451 437 1 1 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.971 2.202 11451 438 1 1 . 1 1 94 94 ALA CB C 94 20.366 20.366 18.975 1.391 11451 439 1 1 . 1 1 94 94 ALA H H 94 8.543 8.543 7.584 0.959 11451 440 1 1 . 1 1 95 95 THR N N 95 110.794 110.794 117.403 -6.609 11451 441 1 1 . 1 1 95 95 THR HA H 95 4.722 4.722 4.467 0.255 11451 442 1 1 . 1 1 95 95 THR CA C 95 59.725 59.725 63.659 -3.934 11451 443 1 1 . 1 1 95 95 THR CB C 95 70.157 70.157 69.571 0.586 11451 444 1 1 . 1 1 95 95 THR H H 95 8.925 8.925 8.088 0.837 11451 445 1 1 . 1 1 96 96 ALA N N 96 121.615 121.615 123.452 -1.837 11451 446 1 1 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.876 -0.449 11451 447 1 1 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.665 -0.129 11451 448 1 1 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.898 3.317 11451 449 1 1 . 1 1 96 96 ALA H H 96 7.954 7.954 8.326 -0.372 11451 450 1 1 . 1 1 97 97 GLN N N 97 115.548 115.548 119.584 -4.036 11451 451 1 1 . 1 1 97 97 GLN HA H 97 4.629 4.629 5.082 -0.453 11451 452 1 1 . 1 1 97 97 GLN CA C 97 57.388 57.388 54.446 2.942 11451 453 1 1 . 1 1 97 97 GLN CB C 97 30.757 30.757 32.104 -1.347 11451 454 1 1 . 1 1 97 97 GLN H H 97 7.866 7.866 8.150 -0.284 11451 455 1 1 . 1 1 98 98 PHE N N 98 117.593 117.593 119.249 -1.656 11451 456 1 1 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.494 0.294 11451 457 1 1 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.879 -1.224 11451 458 1 1 . 1 1 98 98 PHE CB C 98 43.225 43.225 42.938 0.287 11451 459 1 1 . 1 1 98 98 PHE H H 98 7.623 7.623 8.199 -0.576 11451 460 1 1 . 1 1 99 99 PHE N N 99 116.226 116.226 114.407 1.819 11451 461 1 1 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.300 0.432 11451 462 1 1 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.580 -0.531 11451 463 1 1 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.189 1.831 11451 464 1 1 . 1 1 99 99 PHE H H 99 9.518 9.518 8.588 0.930 11451 465 1 1 . 1 1 100 100 ILE N N 100 117.687 117.687 120.403 -2.716 11451 466 1 1 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.808 0.019 11451 467 1 1 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.101 -0.752 11451 468 1 1 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.578 0.091 11451 469 1 1 . 1 1 100 100 ILE H H 100 9.136 9.136 9.010 0.126 11451 470 1 1 . 1 1 101 101 ASN N N 101 126.524 126.524 128.146 -1.622 11451 471 1 1 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.835 -0.376 11451 472 1 1 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.561 2.172 11451 473 1 1 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.466 1.460 11451 474 1 1 . 1 1 101 101 ASN H H 101 8.877 8.877 9.175 -0.298 11451 475 1 1 . 1 1 102 102 VAL N N 102 117.660 117.660 118.825 -1.165 11451 476 1 1 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.089 0.322 11451 477 1 1 . 1 1 102 102 VAL CA C 102 61.907 61.907 62.596 -0.689 11451 478 1 1 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.708 -2.338 11451 479 1 1 . 1 1 102 102 VAL H H 102 7.700 7.700 7.825 -0.125 11451 480 1 1 . 1 1 103 103 VAL N N 103 116.637 116.637 112.828 3.809 11451 481 1 1 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.466 -0.113 11451 482 1 1 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.613 1.046 11451 483 1 1 . 1 1 103 103 VAL CB C 103 35.510 35.510 35.060 0.450 11451 484 1 1 . 1 1 103 103 VAL H H 103 7.753 7.753 6.957 0.796 11451 485 1 1 . 1 1 104 104 ASP N N 104 118.510 118.510 122.217 -3.707 11451 486 1 1 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.695 -0.440 11451 487 1 1 . 1 1 104 104 ASP CA C 104 55.500 55.500 54.673 0.827 11451 488 1 1 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.060 -1.972 11451 489 1 1 . 1 1 104 104 ASP H H 104 8.171 8.171 8.496 -0.325 11451 490 1 1 . 1 1 105 105 ASN N N 105 128.132 128.132 124.100 4.032 11451 491 1 1 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.793 0.286 11451 492 1 1 . 1 1 105 105 ASN CA C 105 51.529 51.529 51.808 -0.279 11451 493 1 1 . 1 1 105 105 ASN CB C 105 39.135 39.135 38.964 0.171 11451 494 1 1 . 1 1 105 105 ASN H H 105 8.352 8.352 8.107 0.245 11451 495 1 1 . 1 1 106 106 ASP N N 106 121.636 121.636 122.713 -1.077 11451 496 1 1 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.281 -0.010 11451 497 1 1 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.095 -0.308 11451 498 1 1 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.905 -1.100 11451 499 1 1 . 1 1 106 106 ASP H H 106 8.203 8.203 8.779 -0.576 11451 500 1 1 . 1 1 107 107 PHE N N 107 114.525 114.525 114.945 -0.420 11451 501 1 1 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.373 0.125 11451 502 1 1 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.170 -1.775 11451 503 1 1 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.078 -1.298 11451 504 1 1 . 1 1 107 107 PHE H H 107 7.388 7.388 7.834 -0.446 11451 505 1 1 . 1 1 108 108 LEU N N 108 121.576 121.576 118.298 3.278 11451 506 1 1 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.430 0.036 11451 507 1 1 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.296 -0.818 11451 508 1 1 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.215 0.884 11451 509 1 1 . 1 1 108 108 LEU H H 108 7.163 7.163 7.402 -0.239 11451 510 1 1 . 1 1 109 109 ASN N N 109 116.121 116.121 117.914 -1.793 11451 511 1 1 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.975 0.174 11451 512 1 1 . 1 1 109 109 ASN CA C 109 52.970 52.970 52.856 0.114 11451 513 1 1 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.396 -1.277 11451 514 1 1 . 1 1 109 109 ASN H H 109 7.312 7.312 7.927 -0.615 11451 515 1 1 . 1 1 110 110 PHE N N 110 124.182 124.182 119.744 4.438 11451 516 1 1 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.768 -0.516 11451 517 1 1 . 1 1 110 110 PHE CA C 110 59.055 59.055 58.707 0.348 11451 518 1 1 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.772 -0.979 11451 519 1 1 . 1 1 110 110 PHE H H 110 8.825 8.825 8.928 -0.103 11451 520 1 1 . 1 1 111 111 SER N N 111 122.136 122.136 121.744 0.392 11451 521 1 1 . 1 1 111 111 SER HA H 111 4.179 4.179 4.433 -0.254 11451 522 1 1 . 1 1 111 111 SER CA C 111 57.521 57.521 57.735 -0.214 11451 523 1 1 . 1 1 111 111 SER CB C 111 64.617 64.617 64.384 0.233 11451 524 1 1 . 1 1 111 111 SER H H 111 9.456 9.456 8.095 1.361 11451 525 1 1 . 1 1 112 112 GLY N N 112 110.435 110.435 108.134 2.301 11451 526 1 1 . 1 1 112 112 GLY CA C 112 45.378 45.378 45.055 0.323 11451 527 1 1 . 1 1 112 112 GLY H H 112 5.514 5.514 7.114 -1.600 11451 528 1 1 . 1 1 113 113 GLU N N 113 118.926 118.926 118.550 0.376 11451 529 1 1 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.560 -0.913 11451 530 1 1 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.407 -2.437 11451 531 1 1 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.026 -2.363 11451 532 1 1 . 1 1 113 113 GLU H H 113 7.862 7.862 8.081 -0.219 11451 533 1 1 . 1 1 114 114 SER N N 114 119.323 119.323 114.672 4.651 11451 534 1 1 . 1 1 114 114 SER HA H 114 4.625 4.625 4.804 -0.179 11451 535 1 1 . 1 1 114 114 SER CA C 114 56.279 56.279 57.400 -1.121 11451 536 1 1 . 1 1 114 114 SER H H 114 7.621 7.621 8.005 -0.384 11451 537 1 1 . 1 1 115 115 LEU N N 115 122.373 122.373 129.288 -6.915 11451 538 1 1 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.868 0.249 11451 539 1 1 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.257 1.703 11451 540 1 1 . 1 1 115 115 LEU CB C 115 41.125 41.125 42.327 -1.202 11451 541 1 1 . 1 1 115 115 LEU H H 115 8.745 8.745 8.951 -0.206 11451 542 1 1 . 1 1 116 116 GLN N N 116 114.490 114.490 115.120 -0.630 11451 543 1 1 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.225 0.037 11451 544 1 1 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.601 0.526 11451 545 1 1 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.335 -0.138 11451 546 1 1 . 1 1 116 116 GLN H H 116 8.292 8.292 8.256 0.036 11451 547 1 1 . 1 1 117 117 GLY N N 117 109.729 109.729 109.226 0.503 11451 548 1 1 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.834 0.707 11451 549 1 1 . 1 1 117 117 GLY H H 117 7.832 7.832 8.238 -0.406 11451 550 1 1 . 1 1 118 118 TRP N N 118 123.807 123.807 123.643 0.164 11451 551 1 1 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.929 -0.615 11451 552 1 1 . 1 1 118 118 TRP CA C 118 62.294 62.294 55.022 7.272 11451 553 1 1 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.462 1.705 11451 554 1 1 . 1 1 118 118 TRP H H 118 7.801 7.801 7.767 0.034 11451 555 1 1 . 1 1 119 119 GLY N N 119 124.815 124.815 111.185 13.630 11451 556 1 1 . 1 1 119 119 GLY CA C 119 45.319 45.319 44.802 0.517 11451 557 1 1 . 1 1 119 119 GLY H H 119 7.438 7.438 8.395 -0.957 11451 558 1 1 . 1 1 120 120 TYR N N 120 119.720 119.720 118.464 1.256 11451 559 1 1 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.040 0.162 11451 560 1 1 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.355 -0.036 11451 561 1 1 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.337 -2.598 11451 562 1 1 . 1 1 120 120 TYR H H 120 8.281 8.281 8.256 0.025 11451 563 1 1 . 1 1 121 121 CYS N N 121 126.117 126.117 121.490 4.627 11451 564 1 1 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.657 -0.418 11451 565 1 1 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.661 1.036 11451 566 1 1 . 1 1 121 121 CYS CB C 121 28.010 28.010 29.177 -1.167 11451 567 1 1 . 1 1 121 121 CYS H H 121 9.818 9.818 8.829 0.989 11451 568 1 1 . 1 1 122 122 VAL N N 122 106.168 106.168 129.990 -23.822 11451 569 1 1 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.220 0.343 11451 570 1 1 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.073 -0.423 11451 571 1 1 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.399 1.080 11451 572 1 1 . 1 1 122 122 VAL H H 122 9.382 9.382 8.813 0.569 11451 573 1 1 . 1 1 123 123 PHE N N 123 118.398 118.398 125.340 -6.942 11451 574 1 1 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.621 0.240 11451 575 1 1 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.685 -2.746 11451 576 1 1 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.754 1.886 11451 577 1 1 . 1 1 123 123 PHE H H 123 7.842 7.842 8.248 -0.406 11451 578 1 1 . 1 1 124 124 ALA N N 124 124.412 124.412 118.491 5.921 11451 579 1 1 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.699 -0.049 11451 580 1 1 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.617 0.142 11451 581 1 1 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.738 1.897 11451 582 1 1 . 1 1 124 124 ALA H H 124 7.327 7.327 6.951 0.376 11451 583 1 1 . 1 1 125 125 GLU N N 125 115.272 115.272 117.300 -2.028 11451 584 1 1 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.632 0.139 11451 585 1 1 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.215 0.436 11451 586 1 1 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.495 -0.725 11451 587 1 1 . 1 1 125 125 GLU H H 125 8.223 8.223 8.207 0.016 11451 588 1 1 . 1 1 126 126 VAL N N 126 123.948 123.948 121.286 2.662 11451 589 1 1 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.979 -0.070 11451 590 1 1 . 1 1 126 126 VAL CA C 126 63.265 63.265 64.038 -0.773 11451 591 1 1 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.603 -0.793 11451 592 1 1 . 1 1 126 126 VAL H H 126 8.786 8.786 8.220 0.566 11451 593 1 1 . 1 1 127 127 VAL N N 127 123.644 123.644 127.843 -4.199 11451 594 1 1 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.210 0.140 11451 595 1 1 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.959 -2.465 11451 596 1 1 . 1 1 127 127 VAL CB C 127 32.482 32.482 33.157 -0.675 11451 597 1 1 . 1 1 127 127 VAL H H 127 9.096 9.096 8.983 0.113 11451 598 1 1 . 1 1 128 128 ASP N N 128 121.165 121.165 118.936 2.229 11451 599 1 1 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.802 0.120 11451 600 1 1 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.613 0.788 11451 601 1 1 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.388 -1.339 11451 602 1 1 . 1 1 128 128 ASP H H 128 7.719 7.719 7.721 -0.002 11451 603 1 1 . 1 1 129 129 GLY N N 129 110.821 110.821 108.092 2.729 11451 604 1 1 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.572 0.189 11451 605 1 1 . 1 1 129 129 GLY H H 129 8.276 8.276 8.936 -0.660 11451 606 1 1 . 1 1 130 130 MET N N 130 122.991 122.991 120.107 2.884 11451 607 1 1 . 1 1 130 130 MET HA H 130 4.468 4.468 4.164 0.304 11451 608 1 1 . 1 1 130 130 MET CA C 130 55.953 55.953 57.966 -2.013 11451 609 1 1 . 1 1 130 130 MET CB C 130 28.771 28.771 31.474 -2.703 11451 610 1 1 . 1 1 130 130 MET H H 130 8.945 8.945 8.457 0.488 11451 611 1 1 . 1 1 131 131 ASP N N 131 117.183 117.183 118.794 -1.611 11451 612 1 1 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.465 -0.220 11451 613 1 1 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.326 -0.687 11451 614 1 1 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.329 -1.651 11451 615 1 1 . 1 1 131 131 ASP H H 131 8.924 8.924 8.757 0.167 11451 616 1 1 . 1 1 132 132 VAL N N 132 124.340 124.340 120.153 4.187 11451 617 1 1 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.821 -0.382 11451 618 1 1 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.185 0.830 11451 619 1 1 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.436 -0.655 11451 620 1 1 . 1 1 132 132 VAL H H 132 7.222 7.222 7.653 -0.431 11451 621 1 1 . 1 1 133 133 VAL N N 133 121.730 121.730 121.554 0.176 11451 622 1 1 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.487 -0.469 11451 623 1 1 . 1 1 133 133 VAL CA C 133 67.076 67.076 67.117 -0.041 11451 624 1 1 . 1 1 133 133 VAL CB C 133 30.820 30.820 30.761 0.059 11451 625 1 1 . 1 1 133 133 VAL H H 133 7.367 7.367 8.360 -0.993 11451 626 1 1 . 1 1 134 134 ASP N N 134 117.555 117.555 118.476 -0.921 11451 627 1 1 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.340 -0.090 11451 628 1 1 . 1 1 134 134 ASP CA C 134 56.263 56.263 57.166 -0.903 11451 629 1 1 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.034 -1.222 11451 630 1 1 . 1 1 134 134 ASP H H 134 8.411 8.411 8.331 0.080 11451 631 1 1 . 1 1 135 135 LYS N N 135 122.646 122.646 119.816 2.830 11451 632 1 1 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.131 -0.130 11451 633 1 1 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.397 0.511 11451 634 1 1 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.031 -0.021 11451 635 1 1 . 1 1 135 135 LYS H H 135 7.418 7.418 7.298 0.120 11451 636 1 1 . 1 1 136 136 ILE N N 136 121.613 121.613 118.003 3.610 11451 637 1 1 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.354 -0.292 11451 638 1 1 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.663 0.644 11451 639 1 1 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.898 -0.599 11451 640 1 1 . 1 1 136 136 ILE H H 136 8.075 8.075 8.375 -0.300 11451 641 1 1 . 1 1 137 137 LYS N N 137 113.499 113.499 115.507 -2.008 11451 642 1 1 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.243 -0.499 11451 643 1 1 . 1 1 137 137 LYS CA C 137 57.888 57.888 56.920 0.968 11451 644 1 1 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.395 -1.040 11451 645 1 1 . 1 1 137 137 LYS H H 137 7.976 7.976 7.502 0.474 11451 646 1 1 . 1 1 138 138 GLY N N 138 104.829 104.829 107.330 -2.501 11451 647 1 1 . 1 1 138 138 GLY CA C 138 44.181 44.181 44.943 -0.762 11451 648 1 1 . 1 1 138 138 GLY H H 138 6.858 6.858 7.576 -0.718 11451 649 1 1 . 1 1 139 139 VAL N N 139 116.189 116.189 118.190 -2.001 11451 650 1 1 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.886 0.197 11451 651 1 1 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.485 -2.741 11451 652 1 1 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.389 1.462 11451 653 1 1 . 1 1 139 139 VAL H H 139 7.220 7.220 7.762 -0.542 11451 654 1 1 . 1 1 140 140 ALA N N 140 123.097 123.097 121.301 1.796 11451 655 1 1 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.535 -0.253 11451 656 1 1 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.182 0.668 11451 657 1 1 . 1 1 140 140 ALA CB C 140 18.372 18.372 19.947 -1.575 11451 658 1 1 . 1 1 140 140 ALA H H 140 8.262 8.262 7.856 0.406 11451 659 1 1 . 1 1 141 141 THR N N 141 113.326 113.326 112.834 0.492 11451 660 1 1 . 1 1 141 141 THR HA H 141 4.925 4.925 4.820 0.105 11451 661 1 1 . 1 1 141 141 THR CA C 141 59.382 59.382 59.810 -0.429 11451 662 1 1 . 1 1 141 141 THR CB C 141 73.286 73.286 71.400 1.886 11451 663 1 1 . 1 1 141 141 THR H H 141 8.278 8.278 8.095 0.183 11451 664 1 1 . 1 1 142 142 GLY N N 142 107.299 107.299 110.894 -3.595 11451 665 1 1 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.670 -0.499 11451 666 1 1 . 1 1 142 142 GLY H H 142 8.484 8.484 8.307 0.177 11451 667 1 1 . 1 1 143 143 ARG N N 143 120.230 120.230 121.965 -1.735 11451 668 1 1 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.358 0.439 11451 669 1 1 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.024 -0.824 11451 670 1 1 . 1 1 143 143 ARG CB C 143 31.351 31.351 31.173 0.178 11451 671 1 1 . 1 1 143 143 ARG H H 143 8.185 8.185 8.120 0.065 11451 672 1 1 . 1 1 144 144 SER N N 144 119.429 119.429 118.890 0.539 11451 673 1 1 . 1 1 144 144 SER HA H 144 4.466 4.466 4.639 -0.173 11451 674 1 1 . 1 1 144 144 SER CA C 144 56.856 56.856 57.265 -0.409 11451 675 1 1 . 1 1 144 144 SER CB C 144 63.174 63.174 65.442 -2.268 11451 676 1 1 . 1 1 144 144 SER H H 144 8.427 8.427 8.500 -0.073 11451 677 1 1 . 1 1 145 145 GLY N N 145 117.736 117.736 107.900 9.836 11451 678 1 1 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.333 0.353 11451 679 1 1 . 1 1 145 145 GLY H H 145 8.902 8.902 8.879 0.023 11451 680 1 1 . 1 1 146 146 MET N N 146 125.723 125.723 117.650 8.073 11451 681 1 1 . 1 1 146 146 MET HA H 146 4.315 4.315 4.419 -0.104 11451 682 1 1 . 1 1 146 146 MET CA C 146 55.431 55.431 56.020 -0.589 11451 683 1 1 . 1 1 146 146 MET H H 146 8.827 8.827 7.464 1.363 11451 684 1 1 . 1 1 147 147 HIS N N 147 121.581 121.581 116.911 4.670 11451 685 1 1 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.807 -0.383 11451 686 1 1 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.291 0.784 11451 687 1 1 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.233 -0.641 11451 688 1 1 . 1 1 147 147 HIS H H 147 8.010 8.010 7.974 0.036 11451 689 1 1 . 1 1 148 148 GLN N N 148 121.305 121.305 124.299 -2.994 11451 690 1 1 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.416 0.054 11451 691 1 1 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.266 -0.802 11451 692 1 1 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.178 1.513 11451 693 1 1 . 1 1 148 148 GLN H H 148 8.681 8.681 8.647 0.034 11451 694 1 1 . 1 1 149 149 ASP N N 149 117.085 117.085 118.065 -0.980 11451 695 1 1 . 1 1 149 149 ASP CB C 149 39.479 39.479 38.927 0.552 11451 696 1 1 . 1 1 149 149 ASP H H 149 8.635 8.635 8.901 -0.266 11451 697 1 1 . 1 1 150 150 VAL N N 150 120.313 120.313 111.946 8.367 11451 698 1 1 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.654 -0.275 11451 699 1 1 . 1 1 150 150 VAL CA C 150 59.168 59.168 57.925 1.243 11451 700 1 1 . 1 1 150 150 VAL CB C 150 33.080 33.080 33.775 -0.695 11451 701 1 1 . 1 1 150 150 VAL H H 150 8.470 8.470 7.555 0.915 11451 702 1 1 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.705 -0.291 11451 703 1 1 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.504 1.432 11451 704 1 1 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.403 -0.227 11451 705 1 1 . 1 1 152 152 LYS N N 152 125.675 125.675 121.294 4.381 11451 706 1 1 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.258 -0.387 11451 707 1 1 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.175 1.426 11451 708 1 1 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.933 -1.148 11451 709 1 1 . 1 1 152 152 LYS H H 152 8.169 8.169 8.159 0.010 11451 710 1 1 . 1 1 153 153 GLU N N 153 119.081 119.081 121.346 -2.265 11451 711 1 1 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.339 0.056 11451 712 1 1 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.554 -1.338 11451 713 1 1 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.603 0.135 11451 714 1 1 . 1 1 153 153 GLU H H 153 7.960 7.960 8.161 -0.201 11451 715 1 1 . 1 1 154 154 ASP N N 154 121.884 121.884 121.738 0.146 11451 716 1 1 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.621 -0.389 11451 717 1 1 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.752 2.348 11451 718 1 1 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.267 -0.727 11451 719 1 1 . 1 1 154 154 ASP H H 154 8.149 8.149 8.655 -0.506 11451 720 1 1 . 1 1 155 155 VAL N N 155 129.777 129.777 125.437 4.340 11451 721 1 1 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.775 -0.336 11451 722 1 1 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.725 0.586 11451 723 1 1 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.892 -1.423 11451 724 1 1 . 1 1 155 155 VAL H H 155 10.043 10.043 8.725 1.318 11451 725 1 1 . 1 1 156 156 ILE N N 156 125.807 125.807 125.553 0.254 11451 726 1 1 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.026 -0.614 11451 727 1 1 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.264 2.421 11451 728 1 1 . 1 1 156 156 ILE CB C 156 42.914 42.914 41.707 1.207 11451 729 1 1 . 1 1 156 156 ILE H H 156 8.252 8.252 9.531 -1.279 11451 730 1 1 . 1 1 157 157 ILE N N 157 126.581 126.581 125.090 1.491 11451 731 1 1 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.170 -0.491 11451 732 1 1 . 1 1 157 157 ILE CA C 157 62.505 62.505 62.039 0.466 11451 733 1 1 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.381 -0.009 11451 734 1 1 . 1 1 157 157 ILE H H 157 9.168 9.168 8.954 0.214 11451 735 1 1 . 1 1 158 158 GLU N N 158 130.185 130.185 129.157 1.028 11451 736 1 1 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.230 -0.190 11451 737 1 1 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.500 0.406 11451 738 1 1 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.719 -0.721 11451 739 1 1 . 1 1 158 158 GLU H H 158 8.910 8.910 8.819 0.091 11451 740 1 1 . 1 1 159 159 SER N N 159 108.037 108.037 109.937 -1.900 11451 741 1 1 . 1 1 159 159 SER HA H 159 4.399 4.399 5.082 -0.683 11451 742 1 1 . 1 1 159 159 SER CA C 159 57.505 57.505 57.419 0.086 11451 743 1 1 . 1 1 159 159 SER CB C 159 64.403 64.403 66.708 -2.305 11451 744 1 1 . 1 1 159 159 SER H H 159 7.772 7.772 8.119 -0.347 11451 745 1 1 . 1 1 160 160 VAL N N 160 119.790 119.790 120.660 -0.870 11451 746 1 1 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.368 -0.193 11451 747 1 1 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.964 -0.399 11451 748 1 1 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.758 -0.744 11451 749 1 1 . 1 1 160 160 VAL H H 160 7.681 7.681 8.328 -0.647 11451 750 1 1 . 1 1 161 161 THR N N 161 122.628 122.628 121.896 0.732 11451 751 1 1 . 1 1 161 161 THR HA H 161 4.662 4.662 4.741 -0.079 11451 752 1 1 . 1 1 161 161 THR CA C 161 61.452 61.452 61.098 0.354 11451 753 1 1 . 1 1 161 161 THR CB C 161 70.781 70.781 71.555 -0.774 11451 754 1 1 . 1 1 161 161 THR H H 161 8.817 8.817 9.187 -0.370 11451 755 1 1 . 1 1 162 162 VAL N N 162 129.304 129.304 127.892 1.412 11451 756 1 1 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.308 0.179 11451 757 1 1 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.430 -0.673 11451 758 1 1 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.538 -0.056 11451 759 1 1 . 1 1 162 162 VAL H H 162 9.075 9.075 8.691 0.384 11451 760 1 1 . 1 1 163 163 SER N N 163 123.979 123.979 123.815 0.164 11451 761 1 1 . 1 1 163 163 SER HA H 163 4.601 4.601 4.741 -0.140 11451 762 1 1 . 1 1 163 163 SER CA C 163 57.521 57.521 56.946 0.575 11451 763 1 1 . 1 1 163 163 SER CB C 163 64.409 64.409 64.413 -0.004 11451 764 1 1 . 1 1 163 163 SER H H 163 8.727 8.727 8.756 -0.029 11451 765 1 2 . 1 1 2 2 VAL N N 2 123.776 123.776 120.825 2.951 11451 766 1 2 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.771 0.004 11451 767 1 2 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.781 0.243 11451 768 1 2 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.658 0.473 11451 769 1 2 . 1 1 2 2 VAL H H 2 8.961 8.961 8.960 0.001 11451 770 1 2 . 1 1 3 3 THR N N 3 121.749 121.749 123.909 -2.160 11451 771 1 2 . 1 1 3 3 THR HA H 3 5.053 5.053 4.834 0.219 11451 772 1 2 . 1 1 3 3 THR CA C 3 61.176 61.176 61.706 -0.530 11451 773 1 2 . 1 1 3 3 THR CB C 3 70.356 70.356 69.871 0.485 11451 774 1 2 . 1 1 3 3 THR H H 3 8.912 8.912 9.124 -0.212 11451 775 1 2 . 1 1 4 4 PHE N N 4 125.726 125.726 126.435 -0.709 11451 776 1 2 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.998 -0.203 11451 777 1 2 . 1 1 4 4 PHE CA C 4 54.011 54.011 54.983 -0.972 11451 778 1 2 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.198 -1.477 11451 779 1 2 . 1 1 4 4 PHE H H 4 9.442 9.442 9.136 0.306 11451 780 1 2 . 1 1 5 5 HIS N N 5 125.337 125.337 124.816 0.521 11451 781 1 2 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.082 0.267 11451 782 1 2 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.125 -0.817 11451 783 1 2 . 1 1 5 5 HIS CB C 5 26.517 26.517 29.953 -3.437 11451 784 1 2 . 1 1 5 5 HIS H H 5 8.897 8.897 9.500 -0.603 11451 785 1 2 . 1 1 6 6 THR N N 6 115.752 115.752 117.731 -1.979 11451 786 1 2 . 1 1 6 6 THR HA H 6 6.126 6.126 5.110 1.016 11451 787 1 2 . 1 1 6 6 THR CA C 6 60.220 60.220 59.643 0.577 11451 788 1 2 . 1 1 6 6 THR CB C 6 72.515 72.515 71.513 1.002 11451 789 1 2 . 1 1 6 6 THR H H 6 7.881 7.881 8.096 -0.215 11451 790 1 2 . 1 1 7 7 ASN N N 7 119.451 119.451 123.978 -4.527 11451 791 1 2 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.553 0.022 11451 792 1 2 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.986 -0.493 11451 793 1 2 . 1 1 7 7 ASN CB C 7 35.334 35.334 37.892 -2.558 11451 794 1 2 . 1 1 7 7 ASN H H 7 9.334 9.334 9.023 0.311 11451 795 1 2 . 1 1 8 8 HIS N N 8 118.490 118.490 116.992 1.498 11451 796 1 2 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.760 -0.269 11451 797 1 2 . 1 1 8 8 HIS CA C 8 56.790 56.790 56.916 -0.126 11451 798 1 2 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.261 1.373 11451 799 1 2 . 1 1 8 8 HIS H H 8 8.663 8.663 7.630 1.033 11451 800 1 2 . 1 1 9 9 GLY N N 9 108.550 108.550 106.582 1.968 11451 801 1 2 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.455 -0.855 11451 802 1 2 . 1 1 9 9 GLY H H 9 7.320 7.320 7.632 -0.312 11451 803 1 2 . 1 1 10 10 ASP N N 10 123.900 123.900 121.537 2.363 11451 804 1 2 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.289 0.331 11451 805 1 2 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.664 -0.354 11451 806 1 2 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.843 -0.343 11451 807 1 2 . 1 1 10 10 ASP H H 10 8.857 8.857 8.486 0.371 11451 808 1 2 . 1 1 11 11 ILE N N 11 121.150 121.150 123.470 -2.320 11451 809 1 2 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.593 -0.257 11451 810 1 2 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.204 1.072 11451 811 1 2 . 1 1 11 11 ILE CB C 11 41.659 41.659 41.985 -0.326 11451 812 1 2 . 1 1 11 11 ILE H H 11 8.638 8.638 8.780 -0.142 11451 813 1 2 . 1 1 12 12 VAL N N 12 129.487 129.487 124.869 4.618 11451 814 1 2 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.762 -0.231 11451 815 1 2 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.649 1.661 11451 816 1 2 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.721 -2.479 11451 817 1 2 . 1 1 12 12 VAL H H 12 8.771 8.771 8.861 -0.090 11451 818 1 2 . 1 1 13 13 ILE N N 13 127.702 127.702 126.306 1.396 11451 819 1 2 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.789 -0.119 11451 820 1 2 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.411 0.327 11451 821 1 2 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.484 0.075 11451 822 1 2 . 1 1 13 13 ILE H H 13 9.527 9.527 9.047 0.480 11451 823 1 2 . 1 1 14 14 LYS N N 14 126.574 126.574 126.623 -0.049 11451 824 1 2 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.556 0.221 11451 825 1 2 . 1 1 14 14 LYS CA C 14 53.843 53.843 53.765 0.078 11451 826 1 2 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.606 0.894 11451 827 1 2 . 1 1 14 14 LYS H H 14 8.684 8.684 8.819 -0.135 11451 828 1 2 . 1 1 15 15 THR N N 15 113.811 113.811 117.817 -4.006 11451 829 1 2 . 1 1 15 15 THR HA H 15 4.130 4.130 4.239 -0.109 11451 830 1 2 . 1 1 15 15 THR CA C 15 59.806 59.806 60.913 -1.107 11451 831 1 2 . 1 1 15 15 THR CB C 15 69.319 69.319 69.482 -0.163 11451 832 1 2 . 1 1 15 15 THR H H 15 8.343 8.343 8.377 -0.034 11451 833 1 2 . 1 1 16 16 PHE N N 16 122.611 122.611 123.992 -1.381 11451 834 1 2 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.738 0.537 11451 835 1 2 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.622 -1.332 11451 836 1 2 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.892 -0.522 11451 837 1 2 . 1 1 16 16 PHE H H 16 8.315 8.315 8.892 -0.577 11451 838 1 2 . 1 1 17 17 ASP N N 17 120.182 120.182 123.042 -2.860 11451 839 1 2 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.569 -0.807 11451 840 1 2 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.578 0.380 11451 841 1 2 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.973 -2.024 11451 842 1 2 . 1 1 17 17 ASP H H 17 9.106 9.106 8.130 0.976 11451 843 1 2 . 1 1 18 18 ASP N N 18 111.686 111.686 118.906 -7.220 11451 844 1 2 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.520 -0.145 11451 845 1 2 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.321 -1.298 11451 846 1 2 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.654 -0.891 11451 847 1 2 . 1 1 18 18 ASP H H 18 8.584 8.584 8.663 -0.079 11451 848 1 2 . 1 1 19 19 LYS N N 19 118.003 118.003 116.892 1.111 11451 849 1 2 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.406 0.030 11451 850 1 2 . 1 1 19 19 LYS CA C 19 55.387 55.387 56.107 -0.720 11451 851 1 2 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.656 0.211 11451 852 1 2 . 1 1 19 19 LYS H H 19 7.333 7.333 7.534 -0.201 11451 853 1 2 . 1 1 20 20 ALA N N 20 123.657 123.657 121.852 1.805 11451 854 1 2 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.018 -0.400 11451 855 1 2 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.828 -0.711 11451 856 1 2 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.956 -0.721 11451 857 1 2 . 1 1 20 20 ALA H H 20 7.560 7.560 8.230 -0.670 11451 858 1 2 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.301 0.123 11451 859 1 2 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.598 0.679 11451 860 1 2 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.832 -0.325 11451 861 1 2 . 1 1 22 22 GLU N N 22 122.557 122.557 118.716 3.841 11451 862 1 2 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.165 -0.153 11451 863 1 2 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.167 0.457 11451 864 1 2 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.856 -0.376 11451 865 1 2 . 1 1 22 22 GLU H H 22 9.855 9.855 8.200 1.655 11451 866 1 2 . 1 1 23 23 THR N N 23 122.201 122.201 118.282 3.919 11451 867 1 2 . 1 1 23 23 THR HA H 23 3.584 3.584 4.069 -0.485 11451 868 1 2 . 1 1 23 23 THR CA C 23 66.554 66.554 67.424 -0.870 11451 869 1 2 . 1 1 23 23 THR CB C 23 67.614 67.614 68.562 -0.948 11451 870 1 2 . 1 1 23 23 THR H H 23 9.390 9.390 8.803 0.587 11451 871 1 2 . 1 1 24 24 VAL N N 24 125.111 125.111 122.054 3.057 11451 872 1 2 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.696 -0.211 11451 873 1 2 . 1 1 24 24 VAL CA C 24 68.307 68.307 67.347 0.960 11451 874 1 2 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.648 -0.759 11451 875 1 2 . 1 1 24 24 VAL H H 24 9.359 9.359 8.525 0.834 11451 876 1 2 . 1 1 25 25 LYS N N 25 121.050 121.050 120.106 0.944 11451 877 1 2 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.952 -0.084 11451 878 1 2 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.334 0.904 11451 879 1 2 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.808 -0.112 11451 880 1 2 . 1 1 25 25 LYS H H 25 7.686 7.686 8.477 -0.791 11451 881 1 2 . 1 1 26 26 ASN N N 26 116.337 116.337 117.581 -1.244 11451 882 1 2 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.451 -0.395 11451 883 1 2 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.049 0.510 11451 884 1 2 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.436 2.256 11451 885 1 2 . 1 1 26 26 ASN H H 26 7.535 7.535 7.977 -0.442 11451 886 1 2 . 1 1 27 27 PHE N N 27 119.858 119.858 121.780 -1.922 11451 887 1 2 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.412 0.127 11451 888 1 2 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.532 -0.599 11451 889 1 2 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.045 0.786 11451 890 1 2 . 1 1 27 27 PHE H H 27 7.867 7.867 8.161 -0.294 11451 891 1 2 . 1 1 28 28 LEU N N 28 120.761 120.761 119.957 0.804 11451 892 1 2 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.740 0.003 11451 893 1 2 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.137 -0.269 11451 894 1 2 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.374 -0.120 11451 895 1 2 . 1 1 28 28 LEU H H 28 9.377 9.377 8.706 0.671 11451 896 1 2 . 1 1 29 29 ASP N N 29 121.607 121.607 119.211 2.396 11451 897 1 2 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.309 -0.014 11451 898 1 2 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.597 0.232 11451 899 1 2 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.409 -1.383 11451 900 1 2 . 1 1 29 29 ASP H H 29 8.374 8.374 8.530 -0.156 11451 901 1 2 . 1 1 30 30 TYR N N 30 118.959 118.959 119.568 -0.609 11451 902 1 2 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.309 -0.304 11451 903 1 2 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.765 -0.018 11451 904 1 2 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.311 -0.572 11451 905 1 2 . 1 1 30 30 TYR H H 30 7.287 7.287 7.541 -0.254 11451 906 1 2 . 1 1 31 31 CYS N N 31 116.202 116.202 117.843 -1.641 11451 907 1 2 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.177 -0.143 11451 908 1 2 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.906 0.497 11451 909 1 2 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.152 0.069 11451 910 1 2 . 1 1 31 31 CYS H H 31 8.336 8.336 8.175 0.161 11451 911 1 2 . 1 1 32 32 ARG N N 32 121.949 121.949 121.103 0.846 11451 912 1 2 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.102 -0.240 11451 913 1 2 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.946 0.774 11451 914 1 2 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.076 0.298 11451 915 1 2 . 1 1 32 32 ARG H H 32 9.077 9.077 8.351 0.726 11451 916 1 2 . 1 1 33 33 GLU N N 33 116.667 116.667 116.697 -0.030 11451 917 1 2 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.331 -0.144 11451 918 1 2 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.447 0.001 11451 919 1 2 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.439 -0.181 11451 920 1 2 . 1 1 33 33 GLU H H 33 7.920 7.920 7.858 0.062 11451 921 1 2 . 1 1 34 34 GLY N N 34 107.273 107.273 106.655 0.618 11451 922 1 2 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.266 0.132 11451 923 1 2 . 1 1 34 34 GLY H H 34 7.533 7.533 7.581 -0.048 11451 924 1 2 . 1 1 35 35 PHE N N 35 122.134 122.134 121.428 0.706 11451 925 1 2 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.240 -0.575 11451 926 1 2 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.567 2.038 11451 927 1 2 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.562 0.507 11451 928 1 2 . 1 1 35 35 PHE H H 35 8.129 8.129 8.508 -0.379 11451 929 1 2 . 1 1 36 36 TYR N N 36 111.250 111.250 115.409 -4.159 11451 930 1 2 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.377 -0.053 11451 931 1 2 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.144 -0.466 11451 932 1 2 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.520 -1.060 11451 933 1 2 . 1 1 36 36 TYR H H 36 7.355 7.355 8.388 -1.033 11451 934 1 2 . 1 1 37 37 ASN N N 37 121.890 121.890 119.782 2.108 11451 935 1 2 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.621 -0.796 11451 936 1 2 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.032 0.147 11451 937 1 2 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.301 -2.446 11451 938 1 2 . 1 1 37 37 ASN H H 37 7.106 7.106 7.676 -0.570 11451 939 1 2 . 1 1 38 38 ASN N N 38 121.572 121.572 119.375 2.197 11451 940 1 2 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.413 -0.365 11451 941 1 2 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.507 0.213 11451 942 1 2 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.739 0.799 11451 943 1 2 . 1 1 38 38 ASN H H 38 9.235 9.235 8.672 0.563 11451 944 1 2 . 1 1 39 39 THR N N 39 104.540 104.540 107.809 -3.269 11451 945 1 2 . 1 1 39 39 THR HA H 39 5.006 5.006 5.395 -0.389 11451 946 1 2 . 1 1 39 39 THR CA C 39 59.979 59.979 59.855 0.124 11451 947 1 2 . 1 1 39 39 THR CB C 39 72.789 72.789 71.484 1.304 11451 948 1 2 . 1 1 39 39 THR H H 39 7.328 7.328 7.416 -0.088 11451 949 1 2 . 1 1 40 40 ILE N N 40 108.904 108.904 115.199 -6.295 11451 950 1 2 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.142 0.527 11451 951 1 2 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.485 0.315 11451 952 1 2 . 1 1 40 40 ILE CB C 40 39.724 39.724 42.137 -2.413 11451 953 1 2 . 1 1 40 40 ILE H H 40 7.943 7.943 8.484 -0.541 11451 954 1 2 . 1 1 41 41 PHE N N 41 122.068 122.068 122.344 -0.276 11451 955 1 2 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.737 0.223 11451 956 1 2 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.839 0.978 11451 957 1 2 . 1 1 41 41 PHE CB C 41 37.410 37.410 38.249 -0.839 11451 958 1 2 . 1 1 41 41 PHE H H 41 8.289 8.289 8.724 -0.435 11451 959 1 2 . 1 1 42 42 HIS N N 42 121.477 121.477 119.276 2.201 11451 960 1 2 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.607 -0.331 11451 961 1 2 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.053 0.545 11451 962 1 2 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.601 1.062 11451 963 1 2 . 1 1 42 42 HIS H H 42 7.862 7.862 7.758 0.104 11451 964 1 2 . 1 1 43 43 ARG N N 43 123.403 123.403 118.492 4.911 11451 965 1 2 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.774 -0.158 11451 966 1 2 . 1 1 43 43 ARG CA C 43 55.318 55.318 55.136 0.181 11451 967 1 2 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.567 -1.292 11451 968 1 2 . 1 1 43 43 ARG H H 43 6.933 6.933 7.248 -0.315 11451 969 1 2 . 1 1 44 44 VAL N N 44 129.359 129.359 123.741 5.618 11451 970 1 2 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.837 -0.697 11451 971 1 2 . 1 1 44 44 VAL CA C 44 62.374 62.374 59.778 2.596 11451 972 1 2 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.045 0.146 11451 973 1 2 . 1 1 44 44 VAL H H 44 9.023 9.023 8.548 0.475 11451 974 1 2 . 1 1 45 45 ILE N N 45 126.532 126.532 125.231 1.301 11451 975 1 2 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.490 -0.254 11451 976 1 2 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.630 0.834 11451 977 1 2 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.878 -1.928 11451 978 1 2 . 1 1 45 45 ILE H H 45 8.243 8.243 8.034 0.209 11451 979 1 2 . 1 1 46 46 ASN N N 46 128.015 128.015 127.584 0.431 11451 980 1 2 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.518 -0.357 11451 981 1 2 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.502 -0.161 11451 982 1 2 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.514 -1.840 11451 983 1 2 . 1 1 46 46 ASN H H 46 9.127 9.127 8.902 0.225 11451 984 1 2 . 1 1 47 47 GLY N N 47 110.314 110.314 108.575 1.739 11451 985 1 2 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.380 0.250 11451 986 1 2 . 1 1 47 47 GLY H H 47 7.542 7.542 8.908 -1.366 11451 987 1 2 . 1 1 48 48 PHE N N 48 116.701 116.701 118.887 -2.186 11451 988 1 2 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.839 0.303 11451 989 1 2 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.271 1.229 11451 990 1 2 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.200 -2.872 11451 991 1 2 . 1 1 48 48 PHE H H 48 7.800 7.800 7.892 -0.092 11451 992 1 2 . 1 1 49 49 MET N N 49 117.710 117.710 117.715 -0.005 11451 993 1 2 . 1 1 49 49 MET HA H 49 5.027 5.027 4.494 0.533 11451 994 1 2 . 1 1 49 49 MET CA C 49 55.009 55.009 53.247 1.762 11451 995 1 2 . 1 1 49 49 MET CB C 49 35.120 35.120 33.170 1.950 11451 996 1 2 . 1 1 49 49 MET H H 49 8.363 8.363 6.931 1.432 11451 997 1 2 . 1 1 50 50 ILE N N 50 110.774 110.774 112.958 -2.184 11451 998 1 2 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.942 -0.075 11451 999 1 2 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.337 0.399 11451 1000 1 2 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.636 -0.375 11451 1001 1 2 . 1 1 50 50 ILE H H 50 7.749 7.749 7.777 -0.028 11451 1002 1 2 . 1 1 51 51 GLN N N 51 127.997 127.997 125.449 2.548 11451 1003 1 2 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.930 0.271 11451 1004 1 2 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.769 0.283 11451 1005 1 2 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.711 -1.027 11451 1006 1 2 . 1 1 51 51 GLN H H 51 9.198 9.198 8.617 0.581 11451 1007 1 2 . 1 1 52 52 GLY N N 52 111.413 111.413 108.374 3.039 11451 1008 1 2 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.167 1.126 11451 1009 1 2 . 1 1 52 52 GLY H H 52 8.037 8.037 8.345 -0.308 11451 1010 1 2 . 1 1 53 53 GLY N N 53 106.177 106.177 106.195 -0.018 11451 1011 1 2 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.289 -0.212 11451 1012 1 2 . 1 1 53 53 GLY H H 53 8.334 8.334 8.194 0.140 11451 1013 1 2 . 1 1 54 54 GLY N N 54 129.939 129.939 106.825 23.114 11451 1014 1 2 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.439 -0.027 11451 1015 1 2 . 1 1 54 54 GLY H H 54 9.068 9.068 8.312 0.756 11451 1016 1 2 . 1 1 55 55 PHE N N 55 121.195 121.195 116.566 4.629 11451 1017 1 2 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.000 -0.113 11451 1018 1 2 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.312 0.386 11451 1019 1 2 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.567 -0.721 11451 1020 1 2 . 1 1 55 55 PHE H H 55 9.329 9.329 7.368 1.961 11451 1021 1 2 . 1 1 56 56 GLU N N 56 120.126 120.126 119.927 0.199 11451 1022 1 2 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.113 -0.265 11451 1023 1 2 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.566 0.633 11451 1024 1 2 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.059 -0.607 11451 1025 1 2 . 1 1 56 56 GLU H H 56 8.531 8.531 8.185 0.346 11451 1026 1 2 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.349 -0.359 11451 1027 1 2 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.391 0.472 11451 1028 1 2 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.667 -0.799 11451 1029 1 2 . 1 1 58 58 GLY N N 58 113.477 113.477 104.782 8.695 11451 1030 1 2 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.106 0.260 11451 1031 1 2 . 1 1 58 58 GLY H H 58 9.454 9.454 8.084 1.370 11451 1032 1 2 . 1 1 59 59 MET N N 59 114.007 114.007 116.162 -2.155 11451 1033 1 2 . 1 1 59 59 MET HA H 59 3.946 3.946 3.826 0.120 11451 1034 1 2 . 1 1 59 59 MET CA C 59 54.650 54.650 55.361 -0.710 11451 1035 1 2 . 1 1 59 59 MET CB C 59 25.875 25.875 28.979 -3.104 11451 1036 1 2 . 1 1 59 59 MET H H 59 8.027 8.027 7.964 0.063 11451 1037 1 2 . 1 1 60 60 LYS N N 60 120.420 120.420 120.153 0.267 11451 1038 1 2 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.546 -0.080 11451 1039 1 2 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.351 -0.393 11451 1040 1 2 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.202 -0.892 11451 1041 1 2 . 1 1 60 60 LYS H H 60 6.996 6.996 7.691 -0.695 11451 1042 1 2 . 1 1 61 61 GLN N N 61 130.250 130.250 126.214 4.036 11451 1043 1 2 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.356 -0.970 11451 1044 1 2 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.087 0.693 11451 1045 1 2 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.375 -0.934 11451 1046 1 2 . 1 1 61 61 GLN H H 61 8.965 8.965 8.806 0.159 11451 1047 1 2 . 1 1 62 62 LYS N N 62 126.196 126.196 127.012 -0.816 11451 1048 1 2 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.327 -0.197 11451 1049 1 2 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.757 0.933 11451 1050 1 2 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.586 0.186 11451 1051 1 2 . 1 1 62 62 LYS H H 62 7.323 7.323 8.332 -1.009 11451 1052 1 2 . 1 1 63 63 ALA N N 63 127.588 127.588 125.005 2.583 11451 1053 1 2 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.499 -0.215 11451 1054 1 2 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.545 1.100 11451 1055 1 2 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.176 1.197 11451 1056 1 2 . 1 1 63 63 ALA H H 63 8.458 8.458 8.674 -0.216 11451 1057 1 2 . 1 1 64 64 THR N N 64 111.370 111.370 113.926 -2.556 11451 1058 1 2 . 1 1 64 64 THR HA H 64 4.550 4.550 4.243 0.307 11451 1059 1 2 . 1 1 64 64 THR CA C 64 60.554 60.554 62.086 -1.532 11451 1060 1 2 . 1 1 64 64 THR CB C 64 71.700 71.700 69.504 2.196 11451 1061 1 2 . 1 1 64 64 THR H H 64 8.122 8.122 7.784 0.338 11451 1062 1 2 . 1 1 65 65 LYS N N 65 118.451 118.451 125.588 -7.137 11451 1063 1 2 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.540 -0.121 11451 1064 1 2 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.135 0.211 11451 1065 1 2 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.504 -3.022 11451 1066 1 2 . 1 1 65 65 LYS H H 65 7.879 7.879 8.248 -0.369 11451 1067 1 2 . 1 1 66 66 GLU N N 66 118.805 118.805 119.574 -0.769 11451 1068 1 2 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.131 0.026 11451 1069 1 2 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.303 -0.421 11451 1070 1 2 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.232 0.118 11451 1071 1 2 . 1 1 66 66 GLU H H 66 7.872 7.872 8.675 -0.803 11451 1072 1 2 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.508 0.346 11451 1073 1 2 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.332 -1.177 11451 1074 1 2 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.231 0.459 11451 1075 1 2 . 1 1 68 68 ILE N N 68 112.686 112.686 123.511 -10.825 11451 1076 1 2 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.527 -0.090 11451 1077 1 2 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.624 -0.653 11451 1078 1 2 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.761 0.764 11451 1079 1 2 . 1 1 68 68 ILE H H 68 8.235 8.235 8.424 -0.189 11451 1080 1 2 . 1 1 69 69 LYS N N 69 121.199 121.199 121.502 -0.303 11451 1081 1 2 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.689 -0.748 11451 1082 1 2 . 1 1 69 69 LYS CA C 69 55.060 55.060 54.343 0.717 11451 1083 1 2 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.913 -0.773 11451 1084 1 2 . 1 1 69 69 LYS H H 69 7.849 7.849 8.233 -0.384 11451 1085 1 2 . 1 1 70 70 ASN N N 70 126.585 126.585 119.872 6.713 11451 1086 1 2 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.625 -0.403 11451 1087 1 2 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.787 -0.459 11451 1088 1 2 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.513 -1.376 11451 1089 1 2 . 1 1 70 70 ASN H H 70 10.816 10.816 8.878 1.938 11451 1090 1 2 . 1 1 71 71 GLU N N 71 126.223 126.223 124.373 1.850 11451 1091 1 2 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.900 -0.247 11451 1092 1 2 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.534 -0.937 11451 1093 1 2 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.750 0.030 11451 1094 1 2 . 1 1 71 71 GLU H H 71 8.202 8.202 8.798 -0.596 11451 1095 1 2 . 1 1 72 72 ALA N N 72 120.736 120.736 123.311 -2.575 11451 1096 1 2 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.124 0.108 11451 1097 1 2 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.808 0.312 11451 1098 1 2 . 1 1 72 72 ALA CB C 72 18.506 18.506 18.915 -0.409 11451 1099 1 2 . 1 1 72 72 ALA H H 72 9.149 9.149 8.921 0.228 11451 1100 1 2 . 1 1 73 73 ASN N N 73 114.744 114.744 115.519 -0.775 11451 1101 1 2 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.239 0.942 11451 1102 1 2 . 1 1 73 73 ASN CA C 73 52.331 52.331 54.092 -1.761 11451 1103 1 2 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.818 -2.142 11451 1104 1 2 . 1 1 73 73 ASN H H 73 7.892 7.892 8.634 -0.742 11451 1105 1 2 . 1 1 74 74 ASN N N 74 119.796 119.796 117.676 2.120 11451 1106 1 2 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.563 -0.184 11451 1107 1 2 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.694 -0.928 11451 1108 1 2 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.654 -0.239 11451 1109 1 2 . 1 1 74 74 ASN H H 74 8.408 8.408 7.316 1.092 11451 1110 1 2 . 1 1 75 75 GLY N N 75 108.891 108.891 107.269 1.622 11451 1111 1 2 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.122 0.505 11451 1112 1 2 . 1 1 75 75 GLY H H 75 7.971 7.971 7.833 0.138 11451 1113 1 2 . 1 1 76 76 LEU N N 76 120.602 120.602 119.532 1.070 11451 1114 1 2 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.338 -0.027 11451 1115 1 2 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.917 -0.318 11451 1116 1 2 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.669 -1.581 11451 1117 1 2 . 1 1 76 76 LEU H H 76 7.734 7.734 7.456 0.278 11451 1118 1 2 . 1 1 77 77 LYS N N 77 121.982 121.982 119.723 2.259 11451 1119 1 2 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.741 -0.291 11451 1120 1 2 . 1 1 77 77 LYS CA C 77 55.001 55.001 55.275 -0.274 11451 1121 1 2 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.423 -0.723 11451 1122 1 2 . 1 1 77 77 LYS H H 77 8.161 8.161 8.275 -0.114 11451 1123 1 2 . 1 1 78 78 ASN N N 78 124.764 124.764 121.402 3.362 11451 1124 1 2 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.132 -0.465 11451 1125 1 2 . 1 1 78 78 ASN CA C 78 54.314 54.314 52.785 1.528 11451 1126 1 2 . 1 1 78 78 ASN CB C 78 37.130 37.130 40.893 -3.763 11451 1127 1 2 . 1 1 78 78 ASN H H 78 9.564 9.564 9.174 0.390 11451 1128 1 2 . 1 1 79 79 THR N N 79 114.955 114.955 113.476 1.479 11451 1129 1 2 . 1 1 79 79 THR HA H 79 4.263 4.263 4.908 -0.645 11451 1130 1 2 . 1 1 79 79 THR CA C 79 60.774 60.774 59.990 0.784 11451 1131 1 2 . 1 1 79 79 THR CB C 79 70.347 70.347 71.910 -1.563 11451 1132 1 2 . 1 1 79 79 THR H H 79 8.190 8.190 8.477 -0.287 11451 1133 1 2 . 1 1 80 80 ARG N N 80 124.080 124.080 122.830 1.250 11451 1134 1 2 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.111 -0.908 11451 1135 1 2 . 1 1 80 80 ARG CA C 80 58.487 58.487 55.985 2.502 11451 1136 1 2 . 1 1 80 80 ARG CB C 80 28.909 28.909 28.991 -0.082 11451 1137 1 2 . 1 1 80 80 ARG H H 80 9.203 9.203 9.290 -0.087 11451 1138 1 2 . 1 1 81 81 GLY N N 81 115.741 115.741 114.890 0.851 11451 1139 1 2 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.319 -0.248 11451 1140 1 2 . 1 1 81 81 GLY H H 81 8.976 8.976 9.209 -0.233 11451 1141 1 2 . 1 1 82 82 THR N N 82 110.362 110.362 111.835 -1.473 11451 1142 1 2 . 1 1 82 82 THR HA H 82 4.623 4.623 4.599 0.024 11451 1143 1 2 . 1 1 82 82 THR CA C 82 61.694 61.694 60.132 1.562 11451 1144 1 2 . 1 1 82 82 THR CB C 82 72.230 72.230 71.494 0.736 11451 1145 1 2 . 1 1 82 82 THR H H 82 8.070 8.070 7.488 0.582 11451 1146 1 2 . 1 1 83 83 LEU N N 83 121.341 121.341 122.948 -1.607 11451 1147 1 2 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.343 -0.124 11451 1148 1 2 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.966 0.384 11451 1149 1 2 . 1 1 83 83 LEU CB C 83 43.519 43.519 46.201 -2.682 11451 1150 1 2 . 1 1 83 83 LEU H H 83 7.918 7.918 8.274 -0.356 11451 1151 1 2 . 1 1 84 84 ALA N N 84 121.663 121.663 123.557 -1.894 11451 1152 1 2 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.251 0.266 11451 1153 1 2 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.625 -0.556 11451 1154 1 2 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.527 1.458 11451 1155 1 2 . 1 1 84 84 ALA H H 84 8.053 8.053 7.999 0.054 11451 1156 1 2 . 1 1 85 85 MET N N 85 115.338 115.338 118.818 -3.480 11451 1157 1 2 . 1 1 85 85 MET HA H 85 5.241 5.241 4.697 0.544 11451 1158 1 2 . 1 1 85 85 MET CA C 85 52.707 52.707 52.956 -0.249 11451 1159 1 2 . 1 1 85 85 MET CB C 85 29.801 29.801 32.082 -2.281 11451 1160 1 2 . 1 1 85 85 MET H H 85 7.539 7.539 8.214 -0.675 11451 1161 1 2 . 1 1 86 86 ALA N N 86 126.558 126.558 126.257 0.301 11451 1162 1 2 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.843 -0.160 11451 1163 1 2 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.441 -0.234 11451 1164 1 2 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.412 -0.996 11451 1165 1 2 . 1 1 86 86 ALA H H 86 8.287 8.287 8.663 -0.376 11451 1166 1 2 . 1 1 87 87 ARG N N 87 113.623 113.623 120.434 -6.811 11451 1167 1 2 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.792 -0.158 11451 1168 1 2 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.136 0.631 11451 1169 1 2 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.461 -2.739 11451 1170 1 2 . 1 1 87 87 ARG H H 87 8.031 8.031 8.565 -0.534 11451 1171 1 2 . 1 1 88 88 THR N N 88 111.627 111.627 114.806 -3.179 11451 1172 1 2 . 1 1 88 88 THR HA H 88 4.624 4.624 4.346 0.278 11451 1173 1 2 . 1 1 88 88 THR CA C 88 60.554 60.554 64.918 -4.364 11451 1174 1 2 . 1 1 88 88 THR CB C 88 68.430 68.430 69.715 -1.285 11451 1175 1 2 . 1 1 88 88 THR H H 88 7.892 7.892 8.510 -0.618 11451 1176 1 2 . 1 1 89 89 GLN N N 89 117.361 117.361 117.899 -0.538 11451 1177 1 2 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.427 -0.576 11451 1178 1 2 . 1 1 89 89 GLN CA C 89 58.911 58.911 57.044 1.867 11451 1179 1 2 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.329 -1.960 11451 1180 1 2 . 1 1 89 89 GLN H H 89 8.188 8.188 8.405 -0.217 11451 1181 1 2 . 1 1 90 90 ALA N N 90 122.998 122.998 123.868 -0.870 11451 1182 1 2 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.619 -0.274 11451 1183 1 2 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.574 -0.848 11451 1184 1 2 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.972 -0.798 11451 1185 1 2 . 1 1 90 90 ALA H H 90 7.962 7.962 8.135 -0.173 11451 1186 1 2 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.929 -0.461 11451 1187 1 2 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.225 1.212 11451 1188 1 2 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.407 -1.438 11451 1189 1 2 . 1 1 92 92 HIS N N 92 118.470 118.470 114.117 4.353 11451 1190 1 2 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.948 -0.124 11451 1191 1 2 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.069 -0.868 11451 1192 1 2 . 1 1 92 92 HIS CB C 92 28.309 28.309 28.984 -0.675 11451 1193 1 2 . 1 1 92 92 HIS H H 92 7.977 7.977 7.959 0.018 11451 1194 1 2 . 1 1 93 93 SER N N 93 108.425 108.425 114.857 -6.432 11451 1195 1 2 . 1 1 93 93 SER HA H 93 4.380 4.380 4.612 -0.232 11451 1196 1 2 . 1 1 93 93 SER CA C 93 57.696 57.696 57.883 -0.187 11451 1197 1 2 . 1 1 93 93 SER CB C 93 65.924 65.924 63.879 2.045 11451 1198 1 2 . 1 1 93 93 SER H H 93 6.374 6.374 7.683 -1.309 11451 1199 1 2 . 1 1 94 94 ALA N N 94 130.109 130.109 125.851 4.258 11451 1200 1 2 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.035 -0.759 11451 1201 1 2 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.447 2.726 11451 1202 1 2 . 1 1 94 94 ALA CB C 94 20.366 20.366 19.268 1.097 11451 1203 1 2 . 1 1 94 94 ALA H H 94 8.543 8.543 7.421 1.122 11451 1204 1 2 . 1 1 95 95 THR N N 95 110.794 110.794 116.902 -6.108 11451 1205 1 2 . 1 1 95 95 THR HA H 95 4.722 4.722 4.415 0.307 11451 1206 1 2 . 1 1 95 95 THR CA C 95 59.725 59.725 63.302 -3.577 11451 1207 1 2 . 1 1 95 95 THR CB C 95 70.157 70.157 69.650 0.507 11451 1208 1 2 . 1 1 95 95 THR H H 95 8.925 8.925 8.030 0.895 11451 1209 1 2 . 1 1 96 96 ALA N N 96 121.615 121.615 123.714 -2.099 11451 1210 1 2 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.784 -0.357 11451 1211 1 2 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.464 0.072 11451 1212 1 2 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.009 4.207 11451 1213 1 2 . 1 1 96 96 ALA H H 96 7.954 7.954 8.219 -0.265 11451 1214 1 2 . 1 1 97 97 GLN N N 97 115.548 115.548 117.278 -1.730 11451 1215 1 2 . 1 1 97 97 GLN HA H 97 4.629 4.629 5.120 -0.491 11451 1216 1 2 . 1 1 97 97 GLN CA C 97 57.388 57.388 54.217 3.171 11451 1217 1 2 . 1 1 97 97 GLN CB C 97 30.757 30.757 33.036 -2.279 11451 1218 1 2 . 1 1 97 97 GLN H H 97 7.866 7.866 8.007 -0.141 11451 1219 1 2 . 1 1 98 98 PHE N N 98 117.593 117.593 118.247 -0.654 11451 1220 1 2 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.573 0.215 11451 1221 1 2 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.929 -1.274 11451 1222 1 2 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.010 0.215 11451 1223 1 2 . 1 1 98 98 PHE H H 98 7.623 7.623 8.482 -0.859 11451 1224 1 2 . 1 1 99 99 PHE N N 99 116.226 116.226 114.799 1.427 11451 1225 1 2 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.251 0.481 11451 1226 1 2 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.435 -0.386 11451 1227 1 2 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.212 1.808 11451 1228 1 2 . 1 1 99 99 PHE H H 99 9.518 9.518 8.769 0.749 11451 1229 1 2 . 1 1 100 100 ILE N N 100 117.687 117.687 120.424 -2.737 11451 1230 1 2 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.856 -0.029 11451 1231 1 2 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.065 -0.716 11451 1232 1 2 . 1 1 100 100 ILE CB C 100 39.669 39.669 40.057 -0.388 11451 1233 1 2 . 1 1 100 100 ILE H H 100 9.136 9.136 9.087 0.049 11451 1234 1 2 . 1 1 101 101 ASN N N 101 126.524 126.524 128.150 -1.626 11451 1235 1 2 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.741 -0.282 11451 1236 1 2 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.375 2.358 11451 1237 1 2 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.088 1.838 11451 1238 1 2 . 1 1 101 101 ASN H H 101 8.877 8.877 9.233 -0.356 11451 1239 1 2 . 1 1 102 102 VAL N N 102 117.660 117.660 123.487 -5.827 11451 1240 1 2 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.949 0.462 11451 1241 1 2 . 1 1 102 102 VAL CA C 102 61.907 61.907 62.981 -1.074 11451 1242 1 2 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.618 -2.248 11451 1243 1 2 . 1 1 102 102 VAL H H 102 7.700 7.700 8.015 -0.316 11451 1244 1 2 . 1 1 103 103 VAL N N 103 116.637 116.637 112.034 4.603 11451 1245 1 2 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.426 -0.073 11451 1246 1 2 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.786 0.873 11451 1247 1 2 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.387 1.123 11451 1248 1 2 . 1 1 103 103 VAL H H 103 7.753 7.753 7.117 0.636 11451 1249 1 2 . 1 1 104 104 ASP N N 104 118.510 118.510 122.095 -3.585 11451 1250 1 2 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.647 -0.392 11451 1251 1 2 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.014 0.486 11451 1252 1 2 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.039 -1.951 11451 1253 1 2 . 1 1 104 104 ASP H H 104 8.171 8.171 8.505 -0.334 11451 1254 1 2 . 1 1 105 105 ASN N N 105 128.132 128.132 122.681 5.451 11451 1255 1 2 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.778 0.301 11451 1256 1 2 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.311 -0.782 11451 1257 1 2 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.105 0.030 11451 1258 1 2 . 1 1 105 105 ASN H H 105 8.352 8.352 8.037 0.315 11451 1259 1 2 . 1 1 106 106 ASP N N 106 121.636 121.636 121.155 0.481 11451 1260 1 2 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.627 -0.356 11451 1261 1 2 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.297 0.490 11451 1262 1 2 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.513 -0.708 11451 1263 1 2 . 1 1 106 106 ASP H H 106 8.203 8.203 8.854 -0.651 11451 1264 1 2 . 1 1 107 107 PHE N N 107 114.525 114.525 115.520 -0.995 11451 1265 1 2 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.371 0.127 11451 1266 1 2 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.005 -1.610 11451 1267 1 2 . 1 1 107 107 PHE CB C 107 36.780 36.780 37.558 -0.778 11451 1268 1 2 . 1 1 107 107 PHE H H 107 7.388 7.388 7.636 -0.248 11451 1269 1 2 . 1 1 108 108 LEU N N 108 121.576 121.576 117.534 4.042 11451 1270 1 2 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.477 -0.011 11451 1271 1 2 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.397 -0.919 11451 1272 1 2 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.402 0.697 11451 1273 1 2 . 1 1 108 108 LEU H H 108 7.163 7.163 7.280 -0.117 11451 1274 1 2 . 1 1 109 109 ASN N N 109 116.121 116.121 117.796 -1.675 11451 1275 1 2 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.831 0.318 11451 1276 1 2 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.244 -0.274 11451 1277 1 2 . 1 1 109 109 ASN CB C 109 38.119 38.119 38.970 -0.851 11451 1278 1 2 . 1 1 109 109 ASN H H 109 7.312 7.312 7.580 -0.268 11451 1279 1 2 . 1 1 110 110 PHE N N 110 124.182 124.182 121.519 2.663 11451 1280 1 2 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.514 -0.262 11451 1281 1 2 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.884 -0.829 11451 1282 1 2 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.039 -0.246 11451 1283 1 2 . 1 1 110 110 PHE H H 110 8.825 8.825 8.042 0.783 11451 1284 1 2 . 1 1 111 111 SER N N 111 122.136 122.136 120.025 2.111 11451 1285 1 2 . 1 1 111 111 SER HA H 111 4.179 4.179 4.278 -0.099 11451 1286 1 2 . 1 1 111 111 SER CA C 111 57.521 57.521 57.507 0.014 11451 1287 1 2 . 1 1 111 111 SER CB C 111 64.617 64.617 64.198 0.419 11451 1288 1 2 . 1 1 111 111 SER H H 111 9.456 9.456 7.616 1.840 11451 1289 1 2 . 1 1 112 112 GLY N N 112 110.435 110.435 108.379 2.056 11451 1290 1 2 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.252 1.126 11451 1291 1 2 . 1 1 112 112 GLY H H 112 5.514 5.514 5.656 -0.142 11451 1292 1 2 . 1 1 113 113 GLU N N 113 118.926 118.926 115.896 3.030 11451 1293 1 2 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.500 -0.853 11451 1294 1 2 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.066 -2.096 11451 1295 1 2 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.440 -2.777 11451 1296 1 2 . 1 1 113 113 GLU H H 113 7.862 7.862 7.819 0.043 11451 1297 1 2 . 1 1 114 114 SER N N 114 119.323 119.323 113.058 6.265 11451 1298 1 2 . 1 1 114 114 SER HA H 114 4.625 4.625 4.754 -0.129 11451 1299 1 2 . 1 1 114 114 SER CA C 114 56.279 56.279 55.562 0.717 11451 1300 1 2 . 1 1 114 114 SER H H 114 7.621 7.621 7.453 0.168 11451 1301 1 2 . 1 1 115 115 LEU N N 115 122.373 122.373 127.821 -5.448 11451 1302 1 2 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.341 -0.224 11451 1303 1 2 . 1 1 115 115 LEU CA C 115 58.960 58.960 56.770 2.189 11451 1304 1 2 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.381 -0.256 11451 1305 1 2 . 1 1 115 115 LEU H H 115 8.745 8.745 9.006 -0.261 11451 1306 1 2 . 1 1 116 116 GLN N N 116 114.490 114.490 115.395 -0.905 11451 1307 1 2 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.256 0.006 11451 1308 1 2 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.669 0.458 11451 1309 1 2 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.800 -0.603 11451 1310 1 2 . 1 1 116 116 GLN H H 116 8.292 8.292 8.008 0.284 11451 1311 1 2 . 1 1 117 117 GLY N N 117 109.729 109.729 106.334 3.395 11451 1312 1 2 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.815 0.726 11451 1313 1 2 . 1 1 117 117 GLY H H 117 7.832 7.832 7.829 0.003 11451 1314 1 2 . 1 1 118 118 TRP N N 118 123.807 123.807 123.253 0.554 11451 1315 1 2 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.915 -0.601 11451 1316 1 2 . 1 1 118 118 TRP CA C 118 62.294 62.294 53.693 8.601 11451 1317 1 2 . 1 1 118 118 TRP CB C 118 30.167 30.167 27.911 2.256 11451 1318 1 2 . 1 1 118 118 TRP H H 118 7.801 7.801 7.792 0.009 11451 1319 1 2 . 1 1 119 119 GLY N N 119 124.815 124.815 111.158 13.657 11451 1320 1 2 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.166 0.153 11451 1321 1 2 . 1 1 119 119 GLY H H 119 7.438 7.438 8.222 -0.784 11451 1322 1 2 . 1 1 120 120 TYR N N 120 119.720 119.720 117.192 2.528 11451 1323 1 2 . 1 1 120 120 TYR HA H 120 5.202 5.202 4.996 0.206 11451 1324 1 2 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.144 0.175 11451 1325 1 2 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.328 -2.589 11451 1326 1 2 . 1 1 120 120 TYR H H 120 8.281 8.281 7.678 0.603 11451 1327 1 2 . 1 1 121 121 CYS N N 121 126.117 126.117 122.210 3.907 11451 1328 1 2 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.859 -0.620 11451 1329 1 2 . 1 1 121 121 CYS CA C 121 59.697 59.697 57.589 2.108 11451 1330 1 2 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.623 -0.614 11451 1331 1 2 . 1 1 121 121 CYS H H 121 9.818 9.818 9.179 0.639 11451 1332 1 2 . 1 1 122 122 VAL N N 122 106.168 106.168 130.534 -24.366 11451 1333 1 2 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.245 0.318 11451 1334 1 2 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.630 0.020 11451 1335 1 2 . 1 1 122 122 VAL CB C 122 31.479 31.479 29.664 1.815 11451 1336 1 2 . 1 1 122 122 VAL H H 122 9.382 9.382 8.970 0.412 11451 1337 1 2 . 1 1 123 123 PHE N N 123 118.398 118.398 122.426 -4.028 11451 1338 1 2 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.581 0.280 11451 1339 1 2 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.873 -2.934 11451 1340 1 2 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.503 2.137 11451 1341 1 2 . 1 1 123 123 PHE H H 123 7.842 7.842 7.978 -0.136 11451 1342 1 2 . 1 1 124 124 ALA N N 124 124.412 124.412 118.449 5.963 11451 1343 1 2 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.673 -0.023 11451 1344 1 2 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.541 0.218 11451 1345 1 2 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.661 1.974 11451 1346 1 2 . 1 1 124 124 ALA H H 124 7.327 7.327 6.959 0.368 11451 1347 1 2 . 1 1 125 125 GLU N N 125 115.272 115.272 117.677 -2.405 11451 1348 1 2 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.651 0.120 11451 1349 1 2 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.260 0.391 11451 1350 1 2 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.531 -0.761 11451 1351 1 2 . 1 1 125 125 GLU H H 125 8.223 8.223 8.184 0.039 11451 1352 1 2 . 1 1 126 126 VAL N N 126 123.948 123.948 121.445 2.503 11451 1353 1 2 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.909 -0.000 11451 1354 1 2 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.653 -0.388 11451 1355 1 2 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.454 -0.644 11451 1356 1 2 . 1 1 126 126 VAL H H 126 8.786 8.786 8.316 0.470 11451 1357 1 2 . 1 1 127 127 VAL N N 127 123.644 123.644 126.293 -2.649 11451 1358 1 2 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.210 0.140 11451 1359 1 2 . 1 1 127 127 VAL CA C 127 61.494 61.494 62.990 -1.496 11451 1360 1 2 . 1 1 127 127 VAL CB C 127 32.482 32.482 33.253 -0.771 11451 1361 1 2 . 1 1 127 127 VAL H H 127 9.096 9.096 8.958 0.138 11451 1362 1 2 . 1 1 128 128 ASP N N 128 121.165 121.165 119.043 2.122 11451 1363 1 2 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.838 0.084 11451 1364 1 2 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.468 0.933 11451 1365 1 2 . 1 1 128 128 ASP CB C 128 43.049 43.049 43.928 -0.879 11451 1366 1 2 . 1 1 128 128 ASP H H 128 7.719 7.719 7.673 0.046 11451 1367 1 2 . 1 1 129 129 GLY N N 129 110.821 110.821 108.074 2.747 11451 1368 1 2 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.561 0.200 11451 1369 1 2 . 1 1 129 129 GLY H H 129 8.276 8.276 8.926 -0.650 11451 1370 1 2 . 1 1 130 130 MET N N 130 122.991 122.991 120.044 2.947 11451 1371 1 2 . 1 1 130 130 MET HA H 130 4.468 4.468 4.168 0.300 11451 1372 1 2 . 1 1 130 130 MET CA C 130 55.953 55.953 57.916 -1.963 11451 1373 1 2 . 1 1 130 130 MET CB C 130 28.771 28.771 31.485 -2.714 11451 1374 1 2 . 1 1 130 130 MET H H 130 8.945 8.945 8.451 0.494 11451 1375 1 2 . 1 1 131 131 ASP N N 131 117.183 117.183 118.759 -1.576 11451 1376 1 2 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.464 -0.219 11451 1377 1 2 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.401 -0.762 11451 1378 1 2 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.352 -1.674 11451 1379 1 2 . 1 1 131 131 ASP H H 131 8.924 8.924 8.796 0.128 11451 1380 1 2 . 1 1 132 132 VAL N N 132 124.340 124.340 120.465 3.875 11451 1381 1 2 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.738 -0.299 11451 1382 1 2 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.616 0.399 11451 1383 1 2 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.976 -1.195 11451 1384 1 2 . 1 1 132 132 VAL H H 132 7.222 7.222 7.660 -0.438 11451 1385 1 2 . 1 1 133 133 VAL N N 133 121.730 121.730 120.947 0.783 11451 1386 1 2 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.483 -0.465 11451 1387 1 2 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.453 0.623 11451 1388 1 2 . 1 1 133 133 VAL CB C 133 30.820 30.820 30.788 0.032 11451 1389 1 2 . 1 1 133 133 VAL H H 133 7.367 7.367 8.183 -0.816 11451 1390 1 2 . 1 1 134 134 ASP N N 134 117.555 117.555 118.666 -1.111 11451 1391 1 2 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.351 -0.101 11451 1392 1 2 . 1 1 134 134 ASP CA C 134 56.263 56.263 57.222 -0.959 11451 1393 1 2 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.012 -1.200 11451 1394 1 2 . 1 1 134 134 ASP H H 134 8.411 8.411 8.340 0.071 11451 1395 1 2 . 1 1 135 135 LYS N N 135 122.646 122.646 119.979 2.667 11451 1396 1 2 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.123 -0.122 11451 1397 1 2 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.198 0.710 11451 1398 1 2 . 1 1 135 135 LYS CB C 135 32.010 32.010 31.965 0.045 11451 1399 1 2 . 1 1 135 135 LYS H H 135 7.418 7.418 7.324 0.094 11451 1400 1 2 . 1 1 136 136 ILE N N 136 121.613 121.613 117.200 4.413 11451 1401 1 2 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.508 -0.446 11451 1402 1 2 . 1 1 136 136 ILE CA C 136 65.307 65.307 63.932 1.375 11451 1403 1 2 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.807 -0.508 11451 1404 1 2 . 1 1 136 136 ILE H H 136 8.075 8.075 8.255 -0.180 11451 1405 1 2 . 1 1 137 137 LYS N N 137 113.499 113.499 115.880 -2.381 11451 1406 1 2 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.261 -0.517 11451 1407 1 2 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.462 0.426 11451 1408 1 2 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.474 -1.119 11451 1409 1 2 . 1 1 137 137 LYS H H 137 7.976 7.976 7.460 0.516 11451 1410 1 2 . 1 1 138 138 GLY N N 138 104.829 104.829 108.291 -3.462 11451 1411 1 2 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.959 -1.778 11451 1412 1 2 . 1 1 138 138 GLY H H 138 6.858 6.858 7.596 -0.738 11451 1413 1 2 . 1 1 139 139 VAL N N 139 116.189 116.189 117.126 -0.937 11451 1414 1 2 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.844 0.239 11451 1415 1 2 . 1 1 139 139 VAL CA C 139 61.744 61.744 62.765 -1.021 11451 1416 1 2 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.208 1.642 11451 1417 1 2 . 1 1 139 139 VAL H H 139 7.220 7.220 7.217 0.003 11451 1418 1 2 . 1 1 140 140 ALA N N 140 123.097 123.097 117.703 5.394 11451 1419 1 2 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.140 0.142 11451 1420 1 2 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.265 0.585 11451 1421 1 2 . 1 1 140 140 ALA CB C 140 18.372 18.372 18.489 -0.117 11451 1422 1 2 . 1 1 140 140 ALA H H 140 8.262 8.262 7.690 0.572 11451 1423 1 2 . 1 1 141 141 THR N N 141 113.326 113.326 112.598 0.728 11451 1424 1 2 . 1 1 141 141 THR HA H 141 4.925 4.925 5.220 -0.295 11451 1425 1 2 . 1 1 141 141 THR CA C 141 59.382 59.382 59.944 -0.562 11451 1426 1 2 . 1 1 141 141 THR CB C 141 73.286 73.286 70.793 2.493 11451 1427 1 2 . 1 1 141 141 THR H H 141 8.278 8.278 8.231 0.047 11451 1428 1 2 . 1 1 142 142 GLY N N 142 107.299 107.299 110.140 -2.841 11451 1429 1 2 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.470 -0.298 11451 1430 1 2 . 1 1 142 142 GLY H H 142 8.484 8.484 8.385 0.099 11451 1431 1 2 . 1 1 143 143 ARG N N 143 120.230 120.230 122.676 -2.446 11451 1432 1 2 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.254 0.543 11451 1433 1 2 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.383 -1.183 11451 1434 1 2 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.847 0.504 11451 1435 1 2 . 1 1 143 143 ARG H H 143 8.185 8.185 8.433 -0.248 11451 1436 1 2 . 1 1 144 144 SER N N 144 119.429 119.429 119.078 0.351 11451 1437 1 2 . 1 1 144 144 SER HA H 144 4.466 4.466 4.612 -0.146 11451 1438 1 2 . 1 1 144 144 SER CA C 144 56.856 56.856 57.102 -0.246 11451 1439 1 2 . 1 1 144 144 SER CB C 144 63.174 63.174 64.616 -1.442 11451 1440 1 2 . 1 1 144 144 SER H H 144 8.427 8.427 8.710 -0.283 11451 1441 1 2 . 1 1 145 145 GLY N N 145 117.736 117.736 107.660 10.076 11451 1442 1 2 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.704 -0.018 11451 1443 1 2 . 1 1 145 145 GLY H H 145 8.902 8.902 9.011 -0.109 11451 1444 1 2 . 1 1 146 146 MET N N 146 125.723 125.723 117.331 8.392 11451 1445 1 2 . 1 1 146 146 MET HA H 146 4.315 4.315 4.508 -0.193 11451 1446 1 2 . 1 1 146 146 MET CA C 146 55.431 55.431 56.082 -0.651 11451 1447 1 2 . 1 1 146 146 MET H H 146 8.827 8.827 7.444 1.383 11451 1448 1 2 . 1 1 147 147 HIS N N 147 121.581 121.581 116.908 4.673 11451 1449 1 2 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.831 -0.407 11451 1450 1 2 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.388 0.687 11451 1451 1 2 . 1 1 147 147 HIS CB C 147 31.593 31.593 33.033 -1.440 11451 1452 1 2 . 1 1 147 147 HIS H H 147 8.010 8.010 8.205 -0.195 11451 1453 1 2 . 1 1 148 148 GLN N N 148 121.305 121.305 123.746 -2.441 11451 1454 1 2 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.461 0.009 11451 1455 1 2 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.797 -1.333 11451 1456 1 2 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.064 1.627 11451 1457 1 2 . 1 1 148 148 GLN H H 148 8.681 8.681 8.589 0.092 11451 1458 1 2 . 1 1 149 149 ASP N N 149 117.085 117.085 117.761 -0.676 11451 1459 1 2 . 1 1 149 149 ASP CB C 149 39.479 39.479 40.471 -0.992 11451 1460 1 2 . 1 1 149 149 ASP H H 149 8.635 8.635 8.665 -0.030 11451 1461 1 2 . 1 1 150 150 VAL N N 150 120.313 120.313 112.030 8.283 11451 1462 1 2 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.824 -0.445 11451 1463 1 2 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.989 0.179 11451 1464 1 2 . 1 1 150 150 VAL CB C 150 33.080 33.080 32.439 0.641 11451 1465 1 2 . 1 1 150 150 VAL H H 150 8.470 8.470 7.590 0.880 11451 1466 1 2 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.581 -0.167 11451 1467 1 2 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.869 1.067 11451 1468 1 2 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.260 -0.084 11451 1469 1 2 . 1 1 152 152 LYS N N 152 125.675 125.675 121.962 3.713 11451 1470 1 2 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.224 -0.353 11451 1471 1 2 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.388 1.213 11451 1472 1 2 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.990 -1.205 11451 1473 1 2 . 1 1 152 152 LYS H H 152 8.169 8.169 8.361 -0.192 11451 1474 1 2 . 1 1 153 153 GLU N N 153 119.081 119.081 120.740 -1.659 11451 1475 1 2 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.405 -0.010 11451 1476 1 2 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.907 -1.691 11451 1477 1 2 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.585 0.153 11451 1478 1 2 . 1 1 153 153 GLU H H 153 7.960 7.960 8.124 -0.164 11451 1479 1 2 . 1 1 154 154 ASP N N 154 121.884 121.884 121.102 0.782 11451 1480 1 2 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.639 -0.407 11451 1481 1 2 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.944 2.156 11451 1482 1 2 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.318 -0.778 11451 1483 1 2 . 1 1 154 154 ASP H H 154 8.149 8.149 8.580 -0.431 11451 1484 1 2 . 1 1 155 155 VAL N N 155 129.777 129.777 125.660 4.117 11451 1485 1 2 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.800 -0.361 11451 1486 1 2 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.895 0.416 11451 1487 1 2 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.781 -1.312 11451 1488 1 2 . 1 1 155 155 VAL H H 155 10.043 10.043 8.884 1.159 11451 1489 1 2 . 1 1 156 156 ILE N N 156 125.807 125.807 123.863 1.944 11451 1490 1 2 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.269 -0.857 11451 1491 1 2 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.705 1.980 11451 1492 1 2 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.629 0.285 11451 1493 1 2 . 1 1 156 156 ILE H H 156 8.252 8.252 9.608 -1.356 11451 1494 1 2 . 1 1 157 157 ILE N N 157 126.581 126.581 126.546 0.035 11451 1495 1 2 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.221 -0.542 11451 1496 1 2 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.969 0.536 11451 1497 1 2 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.643 -0.271 11451 1498 1 2 . 1 1 157 157 ILE H H 157 9.168 9.168 9.139 0.029 11451 1499 1 2 . 1 1 158 158 GLU N N 158 130.185 130.185 128.760 1.425 11451 1500 1 2 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.242 -0.202 11451 1501 1 2 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.822 0.084 11451 1502 1 2 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.655 -0.657 11451 1503 1 2 . 1 1 158 158 GLU H H 158 8.910 8.910 8.850 0.060 11451 1504 1 2 . 1 1 159 159 SER N N 159 108.037 108.037 111.644 -3.607 11451 1505 1 2 . 1 1 159 159 SER HA H 159 4.399 4.399 4.808 -0.409 11451 1506 1 2 . 1 1 159 159 SER CA C 159 57.505 57.505 57.587 -0.082 11451 1507 1 2 . 1 1 159 159 SER CB C 159 64.403 64.403 64.847 -0.444 11451 1508 1 2 . 1 1 159 159 SER H H 159 7.772 7.772 8.070 -0.298 11451 1509 1 2 . 1 1 160 160 VAL N N 160 119.790 119.790 122.013 -2.223 11451 1510 1 2 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.378 -0.203 11451 1511 1 2 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.888 -0.323 11451 1512 1 2 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.494 -0.479 11451 1513 1 2 . 1 1 160 160 VAL H H 160 7.681 7.681 8.217 -0.536 11451 1514 1 2 . 1 1 161 161 THR N N 161 122.628 122.628 121.884 0.744 11451 1515 1 2 . 1 1 161 161 THR HA H 161 4.662 4.662 4.754 -0.092 11451 1516 1 2 . 1 1 161 161 THR CA C 161 61.452 61.452 61.045 0.407 11451 1517 1 2 . 1 1 161 161 THR CB C 161 70.781 70.781 71.795 -1.014 11451 1518 1 2 . 1 1 161 161 THR H H 161 8.817 8.817 9.299 -0.482 11451 1519 1 2 . 1 1 162 162 VAL N N 162 129.304 129.304 127.297 2.007 11451 1520 1 2 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.369 0.118 11451 1521 1 2 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.336 -0.579 11451 1522 1 2 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.379 0.103 11451 1523 1 2 . 1 1 162 162 VAL H H 162 9.075 9.075 8.601 0.474 11451 1524 1 2 . 1 1 163 163 SER N N 163 123.979 123.979 123.830 0.149 11451 1525 1 2 . 1 1 163 163 SER HA H 163 4.601 4.601 4.737 -0.136 11451 1526 1 2 . 1 1 163 163 SER CA C 163 57.521 57.521 56.760 0.762 11451 1527 1 2 . 1 1 163 163 SER CB C 163 64.409 64.409 64.668 -0.260 11451 1528 1 2 . 1 1 163 163 SER H H 163 8.727 8.727 8.794 -0.067 11451 1529 1 3 . 1 1 2 2 VAL N N 2 123.776 123.776 120.774 3.002 11451 1530 1 3 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.717 0.058 11451 1531 1 3 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.780 0.244 11451 1532 1 3 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.907 0.224 11451 1533 1 3 . 1 1 2 2 VAL H H 2 8.961 8.961 8.860 0.101 11451 1534 1 3 . 1 1 3 3 THR N N 3 121.749 121.749 123.382 -1.633 11451 1535 1 3 . 1 1 3 3 THR HA H 3 5.053 5.053 4.897 0.156 11451 1536 1 3 . 1 1 3 3 THR CA C 3 61.176 61.176 61.596 -0.420 11451 1537 1 3 . 1 1 3 3 THR CB C 3 70.356 70.356 69.572 0.784 11451 1538 1 3 . 1 1 3 3 THR H H 3 8.912 8.912 9.081 -0.169 11451 1539 1 3 . 1 1 4 4 PHE N N 4 125.726 125.726 126.360 -0.634 11451 1540 1 3 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.956 -0.161 11451 1541 1 3 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.180 -1.169 11451 1542 1 3 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.094 -1.373 11451 1543 1 3 . 1 1 4 4 PHE H H 4 9.442 9.442 9.161 0.281 11451 1544 1 3 . 1 1 5 5 HIS N N 5 125.337 125.337 123.943 1.394 11451 1545 1 3 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.068 0.281 11451 1546 1 3 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.114 -0.806 11451 1547 1 3 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.052 -3.535 11451 1548 1 3 . 1 1 5 5 HIS H H 5 8.897 8.897 9.470 -0.573 11451 1549 1 3 . 1 1 6 6 THR N N 6 115.752 115.752 116.871 -1.119 11451 1550 1 3 . 1 1 6 6 THR HA H 6 6.126 6.126 5.110 1.016 11451 1551 1 3 . 1 1 6 6 THR CA C 6 60.220 60.220 59.179 1.041 11451 1552 1 3 . 1 1 6 6 THR CB C 6 72.515 72.515 71.521 0.994 11451 1553 1 3 . 1 1 6 6 THR H H 6 7.881 7.881 8.189 -0.308 11451 1554 1 3 . 1 1 7 7 ASN N N 7 119.451 119.451 124.237 -4.786 11451 1555 1 3 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.554 0.021 11451 1556 1 3 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.983 -0.490 11451 1557 1 3 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.043 -2.709 11451 1558 1 3 . 1 1 7 7 ASN H H 7 9.334 9.334 9.038 0.296 11451 1559 1 3 . 1 1 8 8 HIS N N 8 118.490 118.490 116.821 1.669 11451 1560 1 3 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.780 -0.289 11451 1561 1 3 . 1 1 8 8 HIS CA C 8 56.790 56.790 56.919 -0.128 11451 1562 1 3 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.402 1.232 11451 1563 1 3 . 1 1 8 8 HIS H H 8 8.663 8.663 7.611 1.052 11451 1564 1 3 . 1 1 9 9 GLY N N 9 108.550 108.550 106.519 2.031 11451 1565 1 3 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.505 -0.905 11451 1566 1 3 . 1 1 9 9 GLY H H 9 7.320 7.320 7.620 -0.300 11451 1567 1 3 . 1 1 10 10 ASP N N 10 123.900 123.900 121.527 2.373 11451 1568 1 3 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.297 0.323 11451 1569 1 3 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.665 -0.355 11451 1570 1 3 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.905 -0.405 11451 1571 1 3 . 1 1 10 10 ASP H H 10 8.857 8.857 8.493 0.364 11451 1572 1 3 . 1 1 11 11 ILE N N 11 121.150 121.150 123.313 -2.163 11451 1573 1 3 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.547 -0.211 11451 1574 1 3 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.240 1.036 11451 1575 1 3 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.187 -0.528 11451 1576 1 3 . 1 1 11 11 ILE H H 11 8.638 8.638 8.797 -0.159 11451 1577 1 3 . 1 1 12 12 VAL N N 12 129.487 129.487 125.363 4.124 11451 1578 1 3 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.688 -0.157 11451 1579 1 3 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.989 1.321 11451 1580 1 3 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.574 -2.332 11451 1581 1 3 . 1 1 12 12 VAL H H 12 8.771 8.771 8.903 -0.132 11451 1582 1 3 . 1 1 13 13 ILE N N 13 127.702 127.702 126.592 1.110 11451 1583 1 3 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.752 -0.082 11451 1584 1 3 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.422 0.316 11451 1585 1 3 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.651 -0.092 11451 1586 1 3 . 1 1 13 13 ILE H H 13 9.527 9.527 9.062 0.465 11451 1587 1 3 . 1 1 14 14 LYS N N 14 126.574 126.574 126.134 0.440 11451 1588 1 3 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.621 0.156 11451 1589 1 3 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.489 -0.646 11451 1590 1 3 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.175 0.325 11451 1591 1 3 . 1 1 14 14 LYS H H 14 8.684 8.684 8.752 -0.068 11451 1592 1 3 . 1 1 15 15 THR N N 15 113.811 113.811 117.724 -3.913 11451 1593 1 3 . 1 1 15 15 THR HA H 15 4.130 4.130 4.221 -0.091 11451 1594 1 3 . 1 1 15 15 THR CA C 15 59.806 59.806 60.710 -0.904 11451 1595 1 3 . 1 1 15 15 THR CB C 15 69.319 69.319 69.667 -0.348 11451 1596 1 3 . 1 1 15 15 THR H H 15 8.343 8.343 8.402 -0.059 11451 1597 1 3 . 1 1 16 16 PHE N N 16 122.611 122.611 124.204 -1.593 11451 1598 1 3 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.735 0.540 11451 1599 1 3 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.690 -1.400 11451 1600 1 3 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.865 -0.495 11451 1601 1 3 . 1 1 16 16 PHE H H 16 8.315 8.315 8.863 -0.548 11451 1602 1 3 . 1 1 17 17 ASP N N 17 120.182 120.182 123.044 -2.862 11451 1603 1 3 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.568 -0.806 11451 1604 1 3 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.507 0.452 11451 1605 1 3 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.970 -2.021 11451 1606 1 3 . 1 1 17 17 ASP H H 17 9.106 9.106 8.175 0.931 11451 1607 1 3 . 1 1 18 18 ASP N N 18 111.686 111.686 118.591 -6.905 11451 1608 1 3 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.525 -0.150 11451 1609 1 3 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.266 -1.243 11451 1610 1 3 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.670 -0.907 11451 1611 1 3 . 1 1 18 18 ASP H H 18 8.584 8.584 8.647 -0.063 11451 1612 1 3 . 1 1 19 19 LYS N N 19 118.003 118.003 117.020 0.983 11451 1613 1 3 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.379 0.057 11451 1614 1 3 . 1 1 19 19 LYS CA C 19 55.387 55.387 56.091 -0.704 11451 1615 1 3 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.857 0.010 11451 1616 1 3 . 1 1 19 19 LYS H H 19 7.333 7.333 7.458 -0.125 11451 1617 1 3 . 1 1 20 20 ALA N N 20 123.657 123.657 121.673 1.984 11451 1618 1 3 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.161 -0.543 11451 1619 1 3 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.772 -0.654 11451 1620 1 3 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.962 -0.727 11451 1621 1 3 . 1 1 20 20 ALA H H 20 7.560 7.560 8.236 -0.676 11451 1622 1 3 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.284 0.140 11451 1623 1 3 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.629 0.648 11451 1624 1 3 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.795 -0.287 11451 1625 1 3 . 1 1 22 22 GLU N N 22 122.557 122.557 118.766 3.791 11451 1626 1 3 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.141 -0.129 11451 1627 1 3 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.127 0.497 11451 1628 1 3 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.025 -0.545 11451 1629 1 3 . 1 1 22 22 GLU H H 22 9.855 9.855 8.131 1.724 11451 1630 1 3 . 1 1 23 23 THR N N 23 122.201 122.201 118.345 3.856 11451 1631 1 3 . 1 1 23 23 THR HA H 23 3.584 3.584 4.012 -0.428 11451 1632 1 3 . 1 1 23 23 THR CA C 23 66.554 66.554 67.142 -0.588 11451 1633 1 3 . 1 1 23 23 THR CB C 23 67.614 67.614 68.957 -1.343 11451 1634 1 3 . 1 1 23 23 THR H H 23 9.390 9.390 8.721 0.669 11451 1635 1 3 . 1 1 24 24 VAL N N 24 125.111 125.111 121.340 3.771 11451 1636 1 3 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.773 -0.288 11451 1637 1 3 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.947 1.360 11451 1638 1 3 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.294 -0.405 11451 1639 1 3 . 1 1 24 24 VAL H H 24 9.359 9.359 8.533 0.826 11451 1640 1 3 . 1 1 25 25 LYS N N 25 121.050 121.050 120.504 0.546 11451 1641 1 3 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.937 -0.069 11451 1642 1 3 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.717 0.522 11451 1643 1 3 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.984 -0.287 11451 1644 1 3 . 1 1 25 25 LYS H H 25 7.686 7.686 8.550 -0.864 11451 1645 1 3 . 1 1 26 26 ASN N N 26 116.337 116.337 117.601 -1.264 11451 1646 1 3 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.408 -0.352 11451 1647 1 3 . 1 1 26 26 ASN CA C 26 56.559 56.559 55.911 0.648 11451 1648 1 3 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.451 2.241 11451 1649 1 3 . 1 1 26 26 ASN H H 26 7.535 7.535 7.822 -0.287 11451 1650 1 3 . 1 1 27 27 PHE N N 27 119.858 119.858 122.042 -2.184 11451 1651 1 3 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.474 0.065 11451 1652 1 3 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.510 -0.577 11451 1653 1 3 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.118 0.713 11451 1654 1 3 . 1 1 27 27 PHE H H 27 7.867 7.867 8.436 -0.569 11451 1655 1 3 . 1 1 28 28 LEU N N 28 120.761 120.761 119.456 1.305 11451 1656 1 3 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.797 -0.054 11451 1657 1 3 . 1 1 28 28 LEU CA C 28 57.868 57.868 57.886 -0.018 11451 1658 1 3 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.373 -0.119 11451 1659 1 3 . 1 1 28 28 LEU H H 28 9.377 9.377 8.723 0.654 11451 1660 1 3 . 1 1 29 29 ASP N N 29 121.607 121.607 120.086 1.521 11451 1661 1 3 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.254 0.041 11451 1662 1 3 . 1 1 29 29 ASP CA C 29 57.829 57.829 58.729 -0.900 11451 1663 1 3 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.684 -1.658 11451 1664 1 3 . 1 1 29 29 ASP H H 29 8.374 8.374 8.614 -0.240 11451 1665 1 3 . 1 1 30 30 TYR N N 30 118.959 118.959 119.200 -0.241 11451 1666 1 3 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.172 -0.167 11451 1667 1 3 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.369 0.378 11451 1668 1 3 . 1 1 30 30 TYR CB C 30 37.739 37.739 37.877 -0.138 11451 1669 1 3 . 1 1 30 30 TYR H H 30 7.287 7.287 7.654 -0.367 11451 1670 1 3 . 1 1 31 31 CYS N N 31 116.202 116.202 118.548 -2.346 11451 1671 1 3 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.296 -0.262 11451 1672 1 3 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.562 0.841 11451 1673 1 3 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.426 -0.205 11451 1674 1 3 . 1 1 31 31 CYS H H 31 8.336 8.336 8.307 0.029 11451 1675 1 3 . 1 1 32 32 ARG N N 32 121.949 121.949 119.546 2.403 11451 1676 1 3 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.154 -0.292 11451 1677 1 3 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.357 1.362 11451 1678 1 3 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.027 0.346 11451 1679 1 3 . 1 1 32 32 ARG H H 32 9.077 9.077 8.251 0.826 11451 1680 1 3 . 1 1 33 33 GLU N N 33 116.667 116.667 116.605 0.062 11451 1681 1 3 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.347 -0.160 11451 1682 1 3 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.509 -0.061 11451 1683 1 3 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.930 -0.673 11451 1684 1 3 . 1 1 33 33 GLU H H 33 7.920 7.920 7.885 0.035 11451 1685 1 3 . 1 1 34 34 GLY N N 34 107.273 107.273 106.676 0.597 11451 1686 1 3 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.167 0.231 11451 1687 1 3 . 1 1 34 34 GLY H H 34 7.533 7.533 7.970 -0.437 11451 1688 1 3 . 1 1 35 35 PHE N N 35 122.134 122.134 122.265 -0.131 11451 1689 1 3 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.124 -0.459 11451 1690 1 3 . 1 1 35 35 PHE CA C 35 61.605 61.605 61.796 -0.191 11451 1691 1 3 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.259 0.811 11451 1692 1 3 . 1 1 35 35 PHE H H 35 8.129 8.129 8.469 -0.340 11451 1693 1 3 . 1 1 36 36 TYR N N 36 111.250 111.250 115.076 -3.826 11451 1694 1 3 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.290 0.034 11451 1695 1 3 . 1 1 36 36 TYR CA C 36 57.678 57.678 60.097 -2.419 11451 1696 1 3 . 1 1 36 36 TYR CB C 36 37.460 37.460 37.792 -0.332 11451 1697 1 3 . 1 1 36 36 TYR H H 36 7.355 7.355 8.389 -1.034 11451 1698 1 3 . 1 1 37 37 ASN N N 37 121.890 121.890 116.864 5.026 11451 1699 1 3 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.683 -0.858 11451 1700 1 3 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.990 -0.811 11451 1701 1 3 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.275 -2.420 11451 1702 1 3 . 1 1 37 37 ASN H H 37 7.106 7.106 7.720 -0.614 11451 1703 1 3 . 1 1 38 38 ASN N N 38 121.572 121.572 115.753 5.819 11451 1704 1 3 . 1 1 38 38 ASN HA H 38 4.048 4.048 5.109 -1.061 11451 1705 1 3 . 1 1 38 38 ASN CA C 38 54.720 54.720 52.225 2.495 11451 1706 1 3 . 1 1 38 38 ASN CB C 38 38.538 38.538 40.461 -1.923 11451 1707 1 3 . 1 1 38 38 ASN H H 38 9.235 9.235 7.732 1.503 11451 1708 1 3 . 1 1 39 39 THR N N 39 104.540 104.540 112.270 -7.730 11451 1709 1 3 . 1 1 39 39 THR HA H 39 5.006 5.006 5.066 -0.060 11451 1710 1 3 . 1 1 39 39 THR CA C 39 59.979 59.979 61.269 -1.290 11451 1711 1 3 . 1 1 39 39 THR CB C 39 72.789 72.789 70.460 2.329 11451 1712 1 3 . 1 1 39 39 THR H H 39 7.328 7.328 7.901 -0.573 11451 1713 1 3 . 1 1 40 40 ILE N N 40 108.904 108.904 115.045 -6.141 11451 1714 1 3 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.132 0.537 11451 1715 1 3 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.413 0.388 11451 1716 1 3 . 1 1 40 40 ILE CB C 40 39.724 39.724 41.895 -2.171 11451 1717 1 3 . 1 1 40 40 ILE H H 40 7.943 7.943 8.156 -0.213 11451 1718 1 3 . 1 1 41 41 PHE N N 41 122.068 122.068 121.530 0.538 11451 1719 1 3 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.857 0.103 11451 1720 1 3 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.685 1.132 11451 1721 1 3 . 1 1 41 41 PHE CB C 41 37.410 37.410 38.554 -1.144 11451 1722 1 3 . 1 1 41 41 PHE H H 41 8.289 8.289 8.612 -0.323 11451 1723 1 3 . 1 1 42 42 HIS N N 42 121.477 121.477 119.171 2.306 11451 1724 1 3 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.555 -0.279 11451 1725 1 3 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.101 0.497 11451 1726 1 3 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.044 1.619 11451 1727 1 3 . 1 1 42 42 HIS H H 42 7.862 7.862 8.020 -0.158 11451 1728 1 3 . 1 1 43 43 ARG N N 43 123.403 123.403 118.200 5.203 11451 1729 1 3 . 1 1 43 43 ARG HA H 43 4.616 4.616 5.002 -0.386 11451 1730 1 3 . 1 1 43 43 ARG CA C 43 55.318 55.318 53.741 1.577 11451 1731 1 3 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.093 -0.818 11451 1732 1 3 . 1 1 43 43 ARG H H 43 6.933 6.933 7.392 -0.459 11451 1733 1 3 . 1 1 44 44 VAL N N 44 129.359 129.359 123.699 5.660 11451 1734 1 3 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.465 -0.325 11451 1735 1 3 . 1 1 44 44 VAL CA C 44 62.374 62.374 61.188 1.186 11451 1736 1 3 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.464 -0.273 11451 1737 1 3 . 1 1 44 44 VAL H H 44 9.023 9.023 8.199 0.824 11451 1738 1 3 . 1 1 45 45 ILE N N 45 126.532 126.532 127.316 -0.784 11451 1739 1 3 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.437 -0.201 11451 1740 1 3 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.713 0.751 11451 1741 1 3 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.127 -2.177 11451 1742 1 3 . 1 1 45 45 ILE H H 45 8.243 8.243 8.217 0.026 11451 1743 1 3 . 1 1 46 46 ASN N N 46 128.015 128.015 127.561 0.454 11451 1744 1 3 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.637 -0.476 11451 1745 1 3 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.531 -0.190 11451 1746 1 3 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.480 -1.806 11451 1747 1 3 . 1 1 46 46 ASN H H 46 9.127 9.127 8.787 0.340 11451 1748 1 3 . 1 1 47 47 GLY N N 47 110.314 110.314 108.599 1.715 11451 1749 1 3 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.504 0.126 11451 1750 1 3 . 1 1 47 47 GLY H H 47 7.542 7.542 8.909 -1.367 11451 1751 1 3 . 1 1 48 48 PHE N N 48 116.701 116.701 118.825 -2.124 11451 1752 1 3 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.791 0.351 11451 1753 1 3 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.286 1.214 11451 1754 1 3 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.143 -2.815 11451 1755 1 3 . 1 1 48 48 PHE H H 48 7.800 7.800 7.715 0.085 11451 1756 1 3 . 1 1 49 49 MET N N 49 117.710 117.710 118.598 -0.888 11451 1757 1 3 . 1 1 49 49 MET HA H 49 5.027 5.027 4.506 0.521 11451 1758 1 3 . 1 1 49 49 MET CA C 49 55.009 55.009 53.779 1.230 11451 1759 1 3 . 1 1 49 49 MET CB C 49 35.120 35.120 33.163 1.957 11451 1760 1 3 . 1 1 49 49 MET H H 49 8.363 8.363 6.918 1.445 11451 1761 1 3 . 1 1 50 50 ILE N N 50 110.774 110.774 112.915 -2.141 11451 1762 1 3 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.917 -0.050 11451 1763 1 3 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.290 0.445 11451 1764 1 3 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.951 -0.690 11451 1765 1 3 . 1 1 50 50 ILE H H 50 7.749 7.749 7.675 0.074 11451 1766 1 3 . 1 1 51 51 GLN N N 51 127.997 127.997 124.757 3.240 11451 1767 1 3 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.065 0.136 11451 1768 1 3 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.865 0.187 11451 1769 1 3 . 1 1 51 51 GLN CB C 51 31.684 31.684 33.105 -1.421 11451 1770 1 3 . 1 1 51 51 GLN H H 51 9.198 9.198 8.178 1.020 11451 1771 1 3 . 1 1 52 52 GLY N N 52 111.413 111.413 108.209 3.204 11451 1772 1 3 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.140 1.153 11451 1773 1 3 . 1 1 52 52 GLY H H 52 8.037 8.037 8.593 -0.556 11451 1774 1 3 . 1 1 53 53 GLY N N 53 106.177 106.177 107.450 -1.273 11451 1775 1 3 . 1 1 53 53 GLY CA C 53 46.077 46.077 45.742 0.335 11451 1776 1 3 . 1 1 53 53 GLY H H 53 8.334 8.334 8.113 0.221 11451 1777 1 3 . 1 1 54 54 GLY N N 54 129.939 129.939 105.557 24.382 11451 1778 1 3 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.463 -0.051 11451 1779 1 3 . 1 1 54 54 GLY H H 54 9.068 9.068 7.429 1.639 11451 1780 1 3 . 1 1 55 55 PHE N N 55 121.195 121.195 115.818 5.377 11451 1781 1 3 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.153 -0.266 11451 1782 1 3 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.173 0.525 11451 1783 1 3 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.590 -0.744 11451 1784 1 3 . 1 1 55 55 PHE H H 55 9.329 9.329 7.219 2.110 11451 1785 1 3 . 1 1 56 56 GLU N N 56 120.126 120.126 119.746 0.380 11451 1786 1 3 . 1 1 56 56 GLU HA H 56 4.848 4.848 4.988 -0.140 11451 1787 1 3 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.577 0.622 11451 1788 1 3 . 1 1 56 56 GLU CB C 56 29.452 29.452 29.615 -0.163 11451 1789 1 3 . 1 1 56 56 GLU H H 56 8.531 8.531 8.434 0.097 11451 1790 1 3 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.361 -0.371 11451 1791 1 3 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.458 0.405 11451 1792 1 3 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.834 -0.966 11451 1793 1 3 . 1 1 58 58 GLY N N 58 113.477 113.477 105.910 7.567 11451 1794 1 3 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.367 -0.001 11451 1795 1 3 . 1 1 58 58 GLY H H 58 9.454 9.454 7.750 1.704 11451 1796 1 3 . 1 1 59 59 MET N N 59 114.007 114.007 117.380 -3.373 11451 1797 1 3 . 1 1 59 59 MET HA H 59 3.946 3.946 3.822 0.124 11451 1798 1 3 . 1 1 59 59 MET CA C 59 54.650 54.650 55.412 -0.762 11451 1799 1 3 . 1 1 59 59 MET CB C 59 25.875 25.875 28.859 -2.984 11451 1800 1 3 . 1 1 59 59 MET H H 59 8.027 8.027 7.841 0.186 11451 1801 1 3 . 1 1 60 60 LYS N N 60 120.420 120.420 119.741 0.679 11451 1802 1 3 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.616 -0.150 11451 1803 1 3 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.281 -0.323 11451 1804 1 3 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.188 -0.878 11451 1805 1 3 . 1 1 60 60 LYS H H 60 6.996 6.996 7.587 -0.591 11451 1806 1 3 . 1 1 61 61 GLN N N 61 130.250 130.250 125.582 4.668 11451 1807 1 3 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.174 -0.788 11451 1808 1 3 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.598 0.181 11451 1809 1 3 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.480 -1.038 11451 1810 1 3 . 1 1 61 61 GLN H H 61 8.965 8.965 8.761 0.204 11451 1811 1 3 . 1 1 62 62 LYS N N 62 126.196 126.196 125.866 0.330 11451 1812 1 3 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.241 -0.111 11451 1813 1 3 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.798 0.892 11451 1814 1 3 . 1 1 62 62 LYS CB C 62 32.772 32.772 33.112 -0.340 11451 1815 1 3 . 1 1 62 62 LYS H H 62 7.323 7.323 7.665 -0.342 11451 1816 1 3 . 1 1 63 63 ALA N N 63 127.588 127.588 124.116 3.472 11451 1817 1 3 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.535 -0.251 11451 1818 1 3 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.651 0.994 11451 1819 1 3 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.478 0.895 11451 1820 1 3 . 1 1 63 63 ALA H H 63 8.458 8.458 8.777 -0.319 11451 1821 1 3 . 1 1 64 64 THR N N 64 111.370 111.370 114.058 -2.688 11451 1822 1 3 . 1 1 64 64 THR HA H 64 4.550 4.550 4.294 0.256 11451 1823 1 3 . 1 1 64 64 THR CA C 64 60.554 60.554 62.485 -1.931 11451 1824 1 3 . 1 1 64 64 THR CB C 64 71.700 71.700 68.781 2.919 11451 1825 1 3 . 1 1 64 64 THR H H 64 8.122 8.122 7.821 0.301 11451 1826 1 3 . 1 1 65 65 LYS N N 65 118.451 118.451 126.787 -8.336 11451 1827 1 3 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.479 -0.060 11451 1828 1 3 . 1 1 65 65 LYS CA C 65 55.346 55.346 54.811 0.535 11451 1829 1 3 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.456 -2.974 11451 1830 1 3 . 1 1 65 65 LYS H H 65 7.879 7.879 8.479 -0.600 11451 1831 1 3 . 1 1 66 66 GLU N N 66 118.805 118.805 118.833 -0.028 11451 1832 1 3 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.102 0.055 11451 1833 1 3 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.282 -0.400 11451 1834 1 3 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.239 0.111 11451 1835 1 3 . 1 1 66 66 GLU H H 66 7.872 7.872 8.560 -0.688 11451 1836 1 3 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.457 0.397 11451 1837 1 3 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.423 -1.268 11451 1838 1 3 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.292 0.397 11451 1839 1 3 . 1 1 68 68 ILE N N 68 112.686 112.686 124.128 -11.442 11451 1840 1 3 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.487 -0.050 11451 1841 1 3 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.969 -0.998 11451 1842 1 3 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.447 1.078 11451 1843 1 3 . 1 1 68 68 ILE H H 68 8.235 8.235 8.509 -0.274 11451 1844 1 3 . 1 1 69 69 LYS N N 69 121.199 121.199 122.181 -0.982 11451 1845 1 3 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.626 -0.685 11451 1846 1 3 . 1 1 69 69 LYS CA C 69 55.060 55.060 54.934 0.127 11451 1847 1 3 . 1 1 69 69 LYS CB C 69 32.140 32.140 33.212 -1.073 11451 1848 1 3 . 1 1 69 69 LYS H H 69 7.849 7.849 8.187 -0.338 11451 1849 1 3 . 1 1 70 70 ASN N N 70 126.585 126.585 119.662 6.923 11451 1850 1 3 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.700 -0.478 11451 1851 1 3 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.889 -0.561 11451 1852 1 3 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.669 -1.532 11451 1853 1 3 . 1 1 70 70 ASN H H 70 10.816 10.816 9.024 1.792 11451 1854 1 3 . 1 1 71 71 GLU N N 71 126.223 126.223 123.435 2.788 11451 1855 1 3 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.815 -0.162 11451 1856 1 3 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.730 -1.133 11451 1857 1 3 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.717 0.063 11451 1858 1 3 . 1 1 71 71 GLU H H 71 8.202 8.202 8.719 -0.517 11451 1859 1 3 . 1 1 72 72 ALA N N 72 120.736 120.736 123.071 -2.335 11451 1860 1 3 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.135 0.097 11451 1861 1 3 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.808 0.312 11451 1862 1 3 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.049 -0.543 11451 1863 1 3 . 1 1 72 72 ALA H H 72 9.149 9.149 8.666 0.483 11451 1864 1 3 . 1 1 73 73 ASN N N 73 114.744 114.744 115.114 -0.370 11451 1865 1 3 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.302 0.879 11451 1866 1 3 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.975 -1.644 11451 1867 1 3 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.705 -2.029 11451 1868 1 3 . 1 1 73 73 ASN H H 73 7.892 7.892 8.473 -0.581 11451 1869 1 3 . 1 1 74 74 ASN N N 74 119.796 119.796 117.701 2.095 11451 1870 1 3 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.551 -0.172 11451 1871 1 3 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.756 -0.989 11451 1872 1 3 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.744 -0.329 11451 1873 1 3 . 1 1 74 74 ASN H H 74 8.408 8.408 7.295 1.113 11451 1874 1 3 . 1 1 75 75 GLY N N 75 108.891 108.891 107.685 1.206 11451 1875 1 3 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.273 0.354 11451 1876 1 3 . 1 1 75 75 GLY H H 75 7.971 7.971 7.693 0.278 11451 1877 1 3 . 1 1 76 76 LEU N N 76 120.602 120.602 118.972 1.630 11451 1878 1 3 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.357 -0.046 11451 1879 1 3 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.814 -0.215 11451 1880 1 3 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.826 -1.738 11451 1881 1 3 . 1 1 76 76 LEU H H 76 7.734 7.734 7.280 0.454 11451 1882 1 3 . 1 1 77 77 LYS N N 77 121.982 121.982 118.837 3.145 11451 1883 1 3 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.751 -0.301 11451 1884 1 3 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.910 0.091 11451 1885 1 3 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.730 -1.030 11451 1886 1 3 . 1 1 77 77 LYS H H 77 8.161 8.161 8.261 -0.100 11451 1887 1 3 . 1 1 78 78 ASN N N 78 124.764 124.764 122.833 1.931 11451 1888 1 3 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.072 -0.405 11451 1889 1 3 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.005 1.309 11451 1890 1 3 . 1 1 78 78 ASN CB C 78 37.130 37.130 39.378 -2.248 11451 1891 1 3 . 1 1 78 78 ASN H H 78 9.564 9.564 9.322 0.242 11451 1892 1 3 . 1 1 79 79 THR N N 79 114.955 114.955 114.238 0.717 11451 1893 1 3 . 1 1 79 79 THR HA H 79 4.263 4.263 4.924 -0.661 11451 1894 1 3 . 1 1 79 79 THR CA C 79 60.774 60.774 60.075 0.699 11451 1895 1 3 . 1 1 79 79 THR CB C 79 70.347 70.347 71.871 -1.524 11451 1896 1 3 . 1 1 79 79 THR H H 79 8.190 8.190 8.083 0.107 11451 1897 1 3 . 1 1 80 80 ARG N N 80 124.080 124.080 121.904 2.176 11451 1898 1 3 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.087 -0.884 11451 1899 1 3 . 1 1 80 80 ARG CA C 80 58.487 58.487 56.985 1.502 11451 1900 1 3 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.358 -0.449 11451 1901 1 3 . 1 1 80 80 ARG H H 80 9.203 9.203 9.279 -0.076 11451 1902 1 3 . 1 1 81 81 GLY N N 81 115.741 115.741 115.300 0.441 11451 1903 1 3 . 1 1 81 81 GLY CA C 81 45.071 45.071 44.971 0.100 11451 1904 1 3 . 1 1 81 81 GLY H H 81 8.976 8.976 9.155 -0.179 11451 1905 1 3 . 1 1 82 82 THR N N 82 110.362 110.362 110.704 -0.342 11451 1906 1 3 . 1 1 82 82 THR HA H 82 4.623 4.623 4.644 -0.021 11451 1907 1 3 . 1 1 82 82 THR CA C 82 61.694 61.694 59.723 1.971 11451 1908 1 3 . 1 1 82 82 THR CB C 82 72.230 72.230 71.857 0.373 11451 1909 1 3 . 1 1 82 82 THR H H 82 8.070 8.070 7.372 0.698 11451 1910 1 3 . 1 1 83 83 LEU N N 83 121.341 121.341 121.851 -0.510 11451 1911 1 3 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.397 -0.178 11451 1912 1 3 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.804 0.546 11451 1913 1 3 . 1 1 83 83 LEU CB C 83 43.519 43.519 46.213 -2.694 11451 1914 1 3 . 1 1 83 83 LEU H H 83 7.918 7.918 8.217 -0.299 11451 1915 1 3 . 1 1 84 84 ALA N N 84 121.663 121.663 123.300 -1.637 11451 1916 1 3 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.335 0.182 11451 1917 1 3 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.724 -0.655 11451 1918 1 3 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.748 1.237 11451 1919 1 3 . 1 1 84 84 ALA H H 84 8.053 8.053 8.180 -0.127 11451 1920 1 3 . 1 1 85 85 MET N N 85 115.338 115.338 117.380 -2.042 11451 1921 1 3 . 1 1 85 85 MET HA H 85 5.241 5.241 4.951 0.290 11451 1922 1 3 . 1 1 85 85 MET CA C 85 52.707 52.707 55.078 -2.371 11451 1923 1 3 . 1 1 85 85 MET CB C 85 29.801 29.801 33.542 -3.741 11451 1924 1 3 . 1 1 85 85 MET H H 85 7.539 7.539 8.313 -0.774 11451 1925 1 3 . 1 1 86 86 ALA N N 86 126.558 126.558 125.424 1.134 11451 1926 1 3 . 1 1 86 86 ALA HA H 86 4.683 4.683 5.025 -0.342 11451 1927 1 3 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.327 -0.120 11451 1928 1 3 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.664 -1.248 11451 1929 1 3 . 1 1 86 86 ALA H H 86 8.287 8.287 8.741 -0.454 11451 1930 1 3 . 1 1 87 87 ARG N N 87 113.623 113.623 119.913 -6.290 11451 1931 1 3 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.911 -0.277 11451 1932 1 3 . 1 1 87 87 ARG CA C 87 55.768 55.768 54.636 1.132 11451 1933 1 3 . 1 1 87 87 ARG CB C 87 29.722 29.722 31.247 -1.525 11451 1934 1 3 . 1 1 87 87 ARG H H 87 8.031 8.031 8.578 -0.547 11451 1935 1 3 . 1 1 88 88 THR N N 88 111.627 111.627 115.512 -3.885 11451 1936 1 3 . 1 1 88 88 THR HA H 88 4.624 4.624 4.260 0.364 11451 1937 1 3 . 1 1 88 88 THR CA C 88 60.554 60.554 64.539 -3.985 11451 1938 1 3 . 1 1 88 88 THR CB C 88 68.430 68.430 69.506 -1.076 11451 1939 1 3 . 1 1 88 88 THR H H 88 7.892 7.892 8.292 -0.400 11451 1940 1 3 . 1 1 89 89 GLN N N 89 117.361 117.361 115.879 1.482 11451 1941 1 3 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.508 -0.657 11451 1942 1 3 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.139 2.772 11451 1943 1 3 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.588 -2.218 11451 1944 1 3 . 1 1 89 89 GLN H H 89 8.188 8.188 8.164 0.024 11451 1945 1 3 . 1 1 90 90 ALA N N 90 122.998 122.998 124.828 -1.830 11451 1946 1 3 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.720 -0.375 11451 1947 1 3 . 1 1 90 90 ALA CA C 90 49.726 49.726 49.076 0.650 11451 1948 1 3 . 1 1 90 90 ALA CB C 90 17.174 17.174 19.443 -2.269 11451 1949 1 3 . 1 1 90 90 ALA H H 90 7.962 7.962 7.475 0.487 11451 1950 1 3 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.887 -0.419 11451 1951 1 3 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.117 1.320 11451 1952 1 3 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.318 -1.349 11451 1953 1 3 . 1 1 92 92 HIS N N 92 118.470 118.470 113.404 5.066 11451 1954 1 3 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.891 -0.067 11451 1955 1 3 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.053 -0.852 11451 1956 1 3 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.149 -0.840 11451 1957 1 3 . 1 1 92 92 HIS H H 92 7.977 7.977 7.781 0.196 11451 1958 1 3 . 1 1 93 93 SER N N 93 108.425 108.425 114.958 -6.533 11451 1959 1 3 . 1 1 93 93 SER HA H 93 4.380 4.380 4.625 -0.245 11451 1960 1 3 . 1 1 93 93 SER CA C 93 57.696 57.696 57.816 -0.121 11451 1961 1 3 . 1 1 93 93 SER CB C 93 65.924 65.924 63.621 2.303 11451 1962 1 3 . 1 1 93 93 SER H H 93 6.374 6.374 7.662 -1.288 11451 1963 1 3 . 1 1 94 94 ALA N N 94 130.109 130.109 125.288 4.821 11451 1964 1 3 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.166 -0.890 11451 1965 1 3 . 1 1 94 94 ALA CA C 94 54.173 54.173 50.927 3.246 11451 1966 1 3 . 1 1 94 94 ALA CB C 94 20.366 20.366 20.581 -0.215 11451 1967 1 3 . 1 1 94 94 ALA H H 94 8.543 8.543 7.311 1.232 11451 1968 1 3 . 1 1 95 95 THR N N 95 110.794 110.794 116.942 -6.148 11451 1969 1 3 . 1 1 95 95 THR HA H 95 4.722 4.722 4.438 0.284 11451 1970 1 3 . 1 1 95 95 THR CA C 95 59.725 59.725 63.615 -3.890 11451 1971 1 3 . 1 1 95 95 THR CB C 95 70.157 70.157 69.769 0.388 11451 1972 1 3 . 1 1 95 95 THR H H 95 8.925 8.925 8.321 0.604 11451 1973 1 3 . 1 1 96 96 ALA N N 96 121.615 121.615 121.105 0.510 11451 1974 1 3 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.710 -0.283 11451 1975 1 3 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.235 0.301 11451 1976 1 3 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.767 3.449 11451 1977 1 3 . 1 1 96 96 ALA H H 96 7.954 7.954 8.268 -0.314 11451 1978 1 3 . 1 1 97 97 GLN N N 97 115.548 115.548 119.864 -4.316 11451 1979 1 3 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.957 -0.328 11451 1980 1 3 . 1 1 97 97 GLN CA C 97 57.388 57.388 55.865 1.523 11451 1981 1 3 . 1 1 97 97 GLN CB C 97 30.757 30.757 30.251 0.506 11451 1982 1 3 . 1 1 97 97 GLN H H 97 7.866 7.866 8.192 -0.326 11451 1983 1 3 . 1 1 98 98 PHE N N 98 117.593 117.593 119.074 -1.481 11451 1984 1 3 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.544 0.244 11451 1985 1 3 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.578 -0.923 11451 1986 1 3 . 1 1 98 98 PHE CB C 98 43.225 43.225 42.968 0.257 11451 1987 1 3 . 1 1 98 98 PHE H H 98 7.623 7.623 8.252 -0.629 11451 1988 1 3 . 1 1 99 99 PHE N N 99 116.226 116.226 114.694 1.532 11451 1989 1 3 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.318 0.414 11451 1990 1 3 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.526 -0.477 11451 1991 1 3 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.204 1.816 11451 1992 1 3 . 1 1 99 99 PHE H H 99 9.518 9.518 8.846 0.672 11451 1993 1 3 . 1 1 100 100 ILE N N 100 117.687 117.687 120.591 -2.904 11451 1994 1 3 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.839 -0.012 11451 1995 1 3 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.153 -0.804 11451 1996 1 3 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.788 -0.119 11451 1997 1 3 . 1 1 100 100 ILE H H 100 9.136 9.136 9.086 0.050 11451 1998 1 3 . 1 1 101 101 ASN N N 101 126.524 126.524 128.306 -1.782 11451 1999 1 3 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.732 -0.273 11451 2000 1 3 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.328 2.405 11451 2001 1 3 . 1 1 101 101 ASN CB C 101 39.926 39.926 37.933 1.993 11451 2002 1 3 . 1 1 101 101 ASN H H 101 8.877 8.877 9.171 -0.294 11451 2003 1 3 . 1 1 102 102 VAL N N 102 117.660 117.660 118.672 -1.012 11451 2004 1 3 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.043 0.368 11451 2005 1 3 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.356 -1.449 11451 2006 1 3 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.592 -2.222 11451 2007 1 3 . 1 1 102 102 VAL H H 102 7.700 7.700 7.627 0.073 11451 2008 1 3 . 1 1 103 103 VAL N N 103 116.637 116.637 112.347 4.290 11451 2009 1 3 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.412 -0.059 11451 2010 1 3 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.434 1.225 11451 2011 1 3 . 1 1 103 103 VAL CB C 103 35.510 35.510 35.144 0.366 11451 2012 1 3 . 1 1 103 103 VAL H H 103 7.753 7.753 6.967 0.786 11451 2013 1 3 . 1 1 104 104 ASP N N 104 118.510 118.510 121.989 -3.479 11451 2014 1 3 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.659 -0.404 11451 2015 1 3 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.012 0.488 11451 2016 1 3 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.157 -2.069 11451 2017 1 3 . 1 1 104 104 ASP H H 104 8.171 8.171 8.441 -0.270 11451 2018 1 3 . 1 1 105 105 ASN N N 105 128.132 128.132 123.176 4.956 11451 2019 1 3 . 1 1 105 105 ASN HA H 105 5.079 5.079 5.117 -0.038 11451 2020 1 3 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.627 -1.098 11451 2021 1 3 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.358 -0.223 11451 2022 1 3 . 1 1 105 105 ASN H H 105 8.352 8.352 8.426 -0.074 11451 2023 1 3 . 1 1 106 106 ASP N N 106 121.636 121.636 121.769 -0.133 11451 2024 1 3 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.652 -0.381 11451 2025 1 3 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.794 -0.007 11451 2026 1 3 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.789 -0.984 11451 2027 1 3 . 1 1 106 106 ASP H H 106 8.203 8.203 8.979 -0.776 11451 2028 1 3 . 1 1 107 107 PHE N N 107 114.525 114.525 116.747 -2.222 11451 2029 1 3 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.469 0.029 11451 2030 1 3 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.317 -1.922 11451 2031 1 3 . 1 1 107 107 PHE CB C 107 36.780 36.780 37.899 -1.119 11451 2032 1 3 . 1 1 107 107 PHE H H 107 7.388 7.388 8.082 -0.694 11451 2033 1 3 . 1 1 108 108 LEU N N 108 121.576 121.576 118.387 3.189 11451 2034 1 3 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.354 0.112 11451 2035 1 3 . 1 1 108 108 LEU CA C 108 54.478 54.478 54.981 -0.503 11451 2036 1 3 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.073 1.026 11451 2037 1 3 . 1 1 108 108 LEU H H 108 7.163 7.163 7.189 -0.026 11451 2038 1 3 . 1 1 109 109 ASN N N 109 116.121 116.121 118.199 -2.078 11451 2039 1 3 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.914 0.235 11451 2040 1 3 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.038 -0.069 11451 2041 1 3 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.205 -1.086 11451 2042 1 3 . 1 1 109 109 ASN H H 109 7.312 7.312 7.628 -0.316 11451 2043 1 3 . 1 1 110 110 PHE N N 110 124.182 124.182 119.903 4.279 11451 2044 1 3 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.746 -0.494 11451 2045 1 3 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.257 -0.202 11451 2046 1 3 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.433 -0.640 11451 2047 1 3 . 1 1 110 110 PHE H H 110 8.825 8.825 8.155 0.670 11451 2048 1 3 . 1 1 111 111 SER N N 111 122.136 122.136 121.798 0.338 11451 2049 1 3 . 1 1 111 111 SER HA H 111 4.179 4.179 4.380 -0.201 11451 2050 1 3 . 1 1 111 111 SER CA C 111 57.521 57.521 57.762 -0.241 11451 2051 1 3 . 1 1 111 111 SER CB C 111 64.617 64.617 64.262 0.355 11451 2052 1 3 . 1 1 111 111 SER H H 111 9.456 9.456 8.119 1.337 11451 2053 1 3 . 1 1 112 112 GLY N N 112 110.435 110.435 107.422 3.013 11451 2054 1 3 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.913 0.465 11451 2055 1 3 . 1 1 112 112 GLY H H 112 5.514 5.514 6.858 -1.344 11451 2056 1 3 . 1 1 113 113 GLU N N 113 118.926 118.926 116.348 2.578 11451 2057 1 3 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.646 -0.999 11451 2058 1 3 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.444 -2.474 11451 2059 1 3 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.065 -2.402 11451 2060 1 3 . 1 1 113 113 GLU H H 113 7.862 7.862 7.826 0.036 11451 2061 1 3 . 1 1 114 114 SER N N 114 119.323 119.323 115.356 3.967 11451 2062 1 3 . 1 1 114 114 SER HA H 114 4.625 4.625 4.723 -0.098 11451 2063 1 3 . 1 1 114 114 SER CA C 114 56.279 56.279 56.467 -0.188 11451 2064 1 3 . 1 1 114 114 SER H H 114 7.621 7.621 7.928 -0.307 11451 2065 1 3 . 1 1 115 115 LEU N N 115 122.373 122.373 129.170 -6.797 11451 2066 1 3 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.109 0.008 11451 2067 1 3 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.071 1.889 11451 2068 1 3 . 1 1 115 115 LEU CB C 115 41.125 41.125 42.250 -1.125 11451 2069 1 3 . 1 1 115 115 LEU H H 115 8.745 8.745 9.141 -0.396 11451 2070 1 3 . 1 1 116 116 GLN N N 116 114.490 114.490 117.127 -2.637 11451 2071 1 3 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.344 -0.082 11451 2072 1 3 . 1 1 116 116 GLN CA C 116 57.127 57.127 55.901 1.226 11451 2073 1 3 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.986 -0.789 11451 2074 1 3 . 1 1 116 116 GLN H H 116 8.292 8.292 8.192 0.100 11451 2075 1 3 . 1 1 117 117 GLY N N 117 109.729 109.729 108.490 1.239 11451 2076 1 3 . 1 1 117 117 GLY CA C 117 45.541 45.541 45.165 0.376 11451 2077 1 3 . 1 1 117 117 GLY H H 117 7.832 7.832 8.270 -0.438 11451 2078 1 3 . 1 1 118 118 TRP N N 118 123.807 123.807 123.685 0.122 11451 2079 1 3 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.829 -0.515 11451 2080 1 3 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.652 7.642 11451 2081 1 3 . 1 1 118 118 TRP CB C 118 30.167 30.167 27.877 2.290 11451 2082 1 3 . 1 1 118 118 TRP H H 118 7.801 7.801 7.802 -0.001 11451 2083 1 3 . 1 1 119 119 GLY N N 119 124.815 124.815 111.621 13.194 11451 2084 1 3 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.200 0.119 11451 2085 1 3 . 1 1 119 119 GLY H H 119 7.438 7.438 8.386 -0.948 11451 2086 1 3 . 1 1 120 120 TYR N N 120 119.720 119.720 118.999 0.721 11451 2087 1 3 . 1 1 120 120 TYR HA H 120 5.202 5.202 4.989 0.213 11451 2088 1 3 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.334 -0.015 11451 2089 1 3 . 1 1 120 120 TYR CB C 120 39.739 39.739 41.913 -2.174 11451 2090 1 3 . 1 1 120 120 TYR H H 120 8.281 8.281 8.521 -0.240 11451 2091 1 3 . 1 1 121 121 CYS N N 121 126.117 126.117 122.556 3.561 11451 2092 1 3 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.727 -0.488 11451 2093 1 3 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.073 1.624 11451 2094 1 3 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.478 -0.468 11451 2095 1 3 . 1 1 121 121 CYS H H 121 9.818 9.818 9.227 0.591 11451 2096 1 3 . 1 1 122 122 VAL N N 122 106.168 106.168 130.639 -24.471 11451 2097 1 3 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.268 0.295 11451 2098 1 3 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.674 -0.024 11451 2099 1 3 . 1 1 122 122 VAL CB C 122 31.479 31.479 29.890 1.589 11451 2100 1 3 . 1 1 122 122 VAL H H 122 9.382 9.382 8.885 0.497 11451 2101 1 3 . 1 1 123 123 PHE N N 123 118.398 118.398 122.855 -4.457 11451 2102 1 3 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.585 0.276 11451 2103 1 3 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.936 -2.997 11451 2104 1 3 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.560 2.080 11451 2105 1 3 . 1 1 123 123 PHE H H 123 7.842 7.842 7.996 -0.154 11451 2106 1 3 . 1 1 124 124 ALA N N 124 124.412 124.412 118.408 6.004 11451 2107 1 3 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.624 0.026 11451 2108 1 3 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.527 0.232 11451 2109 1 3 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.691 1.944 11451 2110 1 3 . 1 1 124 124 ALA H H 124 7.327 7.327 6.863 0.464 11451 2111 1 3 . 1 1 125 125 GLU N N 125 115.272 115.272 117.554 -2.282 11451 2112 1 3 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.652 0.119 11451 2113 1 3 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.193 0.458 11451 2114 1 3 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.594 -0.824 11451 2115 1 3 . 1 1 125 125 GLU H H 125 8.223 8.223 8.265 -0.042 11451 2116 1 3 . 1 1 126 126 VAL N N 126 123.948 123.948 122.191 1.757 11451 2117 1 3 . 1 1 126 126 VAL HA H 126 3.909 3.909 4.054 -0.145 11451 2118 1 3 . 1 1 126 126 VAL CA C 126 63.265 63.265 62.726 0.539 11451 2119 1 3 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.200 -0.390 11451 2120 1 3 . 1 1 126 126 VAL H H 126 8.786 8.786 7.991 0.795 11451 2121 1 3 . 1 1 127 127 VAL N N 127 123.644 123.644 127.263 -3.619 11451 2122 1 3 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.167 0.183 11451 2123 1 3 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.308 -1.814 11451 2124 1 3 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.897 -0.415 11451 2125 1 3 . 1 1 127 127 VAL H H 127 9.096 9.096 8.994 0.102 11451 2126 1 3 . 1 1 128 128 ASP N N 128 121.165 121.165 118.842 2.323 11451 2127 1 3 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.800 0.122 11451 2128 1 3 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.562 0.840 11451 2129 1 3 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.317 -1.268 11451 2130 1 3 . 1 1 128 128 ASP H H 128 7.719 7.719 7.714 0.005 11451 2131 1 3 . 1 1 129 129 GLY N N 129 110.821 110.821 108.233 2.588 11451 2132 1 3 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.636 0.125 11451 2133 1 3 . 1 1 129 129 GLY H H 129 8.276 8.276 8.951 -0.675 11451 2134 1 3 . 1 1 130 130 MET N N 130 122.991 122.991 120.405 2.586 11451 2135 1 3 . 1 1 130 130 MET HA H 130 4.468 4.468 4.191 0.277 11451 2136 1 3 . 1 1 130 130 MET CA C 130 55.953 55.953 57.005 -1.052 11451 2137 1 3 . 1 1 130 130 MET CB C 130 28.771 28.771 31.199 -2.428 11451 2138 1 3 . 1 1 130 130 MET H H 130 8.945 8.945 8.460 0.485 11451 2139 1 3 . 1 1 131 131 ASP N N 131 117.183 117.183 118.618 -1.435 11451 2140 1 3 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.437 -0.192 11451 2141 1 3 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.456 -0.817 11451 2142 1 3 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.351 -1.673 11451 2143 1 3 . 1 1 131 131 ASP H H 131 8.924 8.924 8.802 0.122 11451 2144 1 3 . 1 1 132 132 VAL N N 132 124.340 124.340 120.439 3.901 11451 2145 1 3 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.715 -0.276 11451 2146 1 3 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.779 0.236 11451 2147 1 3 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.960 -1.179 11451 2148 1 3 . 1 1 132 132 VAL H H 132 7.222 7.222 7.582 -0.360 11451 2149 1 3 . 1 1 133 133 VAL N N 133 121.730 121.730 120.831 0.899 11451 2150 1 3 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.411 -0.393 11451 2151 1 3 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.812 0.264 11451 2152 1 3 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.510 -0.690 11451 2153 1 3 . 1 1 133 133 VAL H H 133 7.367 7.367 8.183 -0.816 11451 2154 1 3 . 1 1 134 134 ASP N N 134 117.555 117.555 118.469 -0.914 11451 2155 1 3 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.388 -0.138 11451 2156 1 3 . 1 1 134 134 ASP CA C 134 56.263 56.263 57.023 -0.760 11451 2157 1 3 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.060 -1.248 11451 2158 1 3 . 1 1 134 134 ASP H H 134 8.411 8.411 8.176 0.235 11451 2159 1 3 . 1 1 135 135 LYS N N 135 122.646 122.646 119.014 3.632 11451 2160 1 3 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.141 -0.140 11451 2161 1 3 . 1 1 135 135 LYS CA C 135 58.908 58.908 57.992 0.916 11451 2162 1 3 . 1 1 135 135 LYS CB C 135 32.010 32.010 31.970 0.040 11451 2163 1 3 . 1 1 135 135 LYS H H 135 7.418 7.418 7.104 0.314 11451 2164 1 3 . 1 1 136 136 ILE N N 136 121.613 121.613 117.851 3.762 11451 2165 1 3 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.467 -0.405 11451 2166 1 3 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.974 0.333 11451 2167 1 3 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.819 -0.520 11451 2168 1 3 . 1 1 136 136 ILE H H 136 8.075 8.075 8.343 -0.268 11451 2169 1 3 . 1 1 137 137 LYS N N 137 113.499 113.499 115.276 -1.777 11451 2170 1 3 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.214 -0.470 11451 2171 1 3 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.183 0.705 11451 2172 1 3 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.461 -1.105 11451 2173 1 3 . 1 1 137 137 LYS H H 137 7.976 7.976 7.491 0.485 11451 2174 1 3 . 1 1 138 138 GLY N N 138 104.829 104.829 107.207 -2.378 11451 2175 1 3 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.107 -0.926 11451 2176 1 3 . 1 1 138 138 GLY H H 138 6.858 6.858 7.559 -0.701 11451 2177 1 3 . 1 1 139 139 VAL N N 139 116.189 116.189 117.989 -1.800 11451 2178 1 3 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.859 0.224 11451 2179 1 3 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.390 -2.646 11451 2180 1 3 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.899 0.951 11451 2181 1 3 . 1 1 139 139 VAL H H 139 7.220 7.220 7.755 -0.535 11451 2182 1 3 . 1 1 140 140 ALA N N 140 123.097 123.097 120.831 2.266 11451 2183 1 3 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.541 -0.259 11451 2184 1 3 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.257 0.593 11451 2185 1 3 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.140 -1.768 11451 2186 1 3 . 1 1 140 140 ALA H H 140 8.262 8.262 7.910 0.352 11451 2187 1 3 . 1 1 141 141 THR N N 141 113.326 113.326 113.112 0.214 11451 2188 1 3 . 1 1 141 141 THR HA H 141 4.925 4.925 4.633 0.291 11451 2189 1 3 . 1 1 141 141 THR CA C 141 59.382 59.382 60.346 -0.964 11451 2190 1 3 . 1 1 141 141 THR CB C 141 73.286 73.286 71.399 1.887 11451 2191 1 3 . 1 1 141 141 THR H H 141 8.278 8.278 7.982 0.296 11451 2192 1 3 . 1 1 142 142 GLY N N 142 107.299 107.299 111.176 -3.877 11451 2193 1 3 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.618 -0.446 11451 2194 1 3 . 1 1 142 142 GLY H H 142 8.484 8.484 8.522 -0.038 11451 2195 1 3 . 1 1 143 143 ARG N N 143 120.230 120.230 120.639 -0.409 11451 2196 1 3 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.247 0.550 11451 2197 1 3 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.613 -1.413 11451 2198 1 3 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.827 0.524 11451 2199 1 3 . 1 1 143 143 ARG H H 143 8.185 8.185 8.218 -0.033 11451 2200 1 3 . 1 1 144 144 SER N N 144 119.429 119.429 115.874 3.555 11451 2201 1 3 . 1 1 144 144 SER HA H 144 4.466 4.466 4.724 -0.258 11451 2202 1 3 . 1 1 144 144 SER CA C 144 56.856 56.856 56.834 0.022 11451 2203 1 3 . 1 1 144 144 SER CB C 144 63.174 63.174 64.733 -1.559 11451 2204 1 3 . 1 1 144 144 SER H H 144 8.427 8.427 8.825 -0.398 11451 2205 1 3 . 1 1 145 145 GLY N N 145 117.736 117.736 110.877 6.859 11451 2206 1 3 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.009 0.677 11451 2207 1 3 . 1 1 145 145 GLY H H 145 8.902 8.902 8.793 0.109 11451 2208 1 3 . 1 1 146 146 MET N N 146 125.723 125.723 118.939 6.784 11451 2209 1 3 . 1 1 146 146 MET HA H 146 4.315 4.315 3.820 0.495 11451 2210 1 3 . 1 1 146 146 MET CA C 146 55.431 55.431 57.103 -1.672 11451 2211 1 3 . 1 1 146 146 MET H H 146 8.827 8.827 8.501 0.326 11451 2212 1 3 . 1 1 147 147 HIS N N 147 121.581 121.581 117.243 4.338 11451 2213 1 3 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.851 -0.427 11451 2214 1 3 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.474 0.601 11451 2215 1 3 . 1 1 147 147 HIS CB C 147 31.593 31.593 31.303 0.290 11451 2216 1 3 . 1 1 147 147 HIS H H 147 8.010 8.010 7.653 0.357 11451 2217 1 3 . 1 1 148 148 GLN N N 148 121.305 121.305 123.839 -2.534 11451 2218 1 3 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.502 -0.032 11451 2219 1 3 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.121 -0.657 11451 2220 1 3 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.480 1.211 11451 2221 1 3 . 1 1 148 148 GLN H H 148 8.681 8.681 8.743 -0.062 11451 2222 1 3 . 1 1 149 149 ASP N N 149 117.085 117.085 118.004 -0.919 11451 2223 1 3 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.725 -0.246 11451 2224 1 3 . 1 1 149 149 ASP H H 149 8.635 8.635 8.737 -0.102 11451 2225 1 3 . 1 1 150 150 VAL N N 150 120.313 120.313 112.112 8.201 11451 2226 1 3 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.687 -0.308 11451 2227 1 3 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.340 0.828 11451 2228 1 3 . 1 1 150 150 VAL CB C 150 33.080 33.080 33.662 -0.582 11451 2229 1 3 . 1 1 150 150 VAL H H 150 8.470 8.470 7.640 0.830 11451 2230 1 3 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.722 -0.308 11451 2231 1 3 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.509 1.427 11451 2232 1 3 . 1 1 151 151 PRO CB C 151 32.176 32.176 31.990 0.186 11451 2233 1 3 . 1 1 152 152 LYS N N 152 125.675 125.675 122.057 3.618 11451 2234 1 3 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.216 -0.345 11451 2235 1 3 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.332 1.269 11451 2236 1 3 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.807 -1.022 11451 2237 1 3 . 1 1 152 152 LYS H H 152 8.169 8.169 8.185 -0.016 11451 2238 1 3 . 1 1 153 153 GLU N N 153 119.081 119.081 121.122 -2.041 11451 2239 1 3 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.362 0.033 11451 2240 1 3 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.328 -1.112 11451 2241 1 3 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.710 0.028 11451 2242 1 3 . 1 1 153 153 GLU H H 153 7.960 7.960 8.220 -0.260 11451 2243 1 3 . 1 1 154 154 ASP N N 154 121.884 121.884 121.874 0.010 11451 2244 1 3 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.633 -0.401 11451 2245 1 3 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.873 2.227 11451 2246 1 3 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.198 -0.658 11451 2247 1 3 . 1 1 154 154 ASP H H 154 8.149 8.149 8.629 -0.480 11451 2248 1 3 . 1 1 155 155 VAL N N 155 129.777 129.777 125.176 4.601 11451 2249 1 3 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.852 -0.413 11451 2250 1 3 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.343 0.968 11451 2251 1 3 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.111 -0.642 11451 2252 1 3 . 1 1 155 155 VAL H H 155 10.043 10.043 8.853 1.190 11451 2253 1 3 . 1 1 156 156 ILE N N 156 125.807 125.807 124.016 1.791 11451 2254 1 3 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.235 -0.823 11451 2255 1 3 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.588 2.097 11451 2256 1 3 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.669 0.245 11451 2257 1 3 . 1 1 156 156 ILE H H 156 8.252 8.252 9.548 -1.296 11451 2258 1 3 . 1 1 157 157 ILE N N 157 126.581 126.581 126.308 0.273 11451 2259 1 3 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.315 -0.636 11451 2260 1 3 . 1 1 157 157 ILE CA C 157 62.505 62.505 62.000 0.505 11451 2261 1 3 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.647 -0.274 11451 2262 1 3 . 1 1 157 157 ILE H H 157 9.168 9.168 9.086 0.082 11451 2263 1 3 . 1 1 158 158 GLU N N 158 130.185 130.185 128.114 2.071 11451 2264 1 3 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.267 -0.227 11451 2265 1 3 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.484 0.422 11451 2266 1 3 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.827 -0.829 11451 2267 1 3 . 1 1 158 158 GLU H H 158 8.910 8.910 8.821 0.089 11451 2268 1 3 . 1 1 159 159 SER N N 159 108.037 108.037 110.932 -2.895 11451 2269 1 3 . 1 1 159 159 SER HA H 159 4.399 4.399 4.635 -0.236 11451 2270 1 3 . 1 1 159 159 SER CA C 159 57.505 57.505 57.708 -0.202 11451 2271 1 3 . 1 1 159 159 SER CB C 159 64.403 64.403 64.529 -0.126 11451 2272 1 3 . 1 1 159 159 SER H H 159 7.772 7.772 8.106 -0.334 11451 2273 1 3 . 1 1 160 160 VAL N N 160 119.790 119.790 121.328 -1.538 11451 2274 1 3 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.422 -0.247 11451 2275 1 3 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.721 -0.157 11451 2276 1 3 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.506 -0.491 11451 2277 1 3 . 1 1 160 160 VAL H H 160 7.681 7.681 8.602 -0.921 11451 2278 1 3 . 1 1 161 161 THR N N 161 122.628 122.628 121.453 1.175 11451 2279 1 3 . 1 1 161 161 THR HA H 161 4.662 4.662 4.716 -0.054 11451 2280 1 3 . 1 1 161 161 THR CA C 161 61.452 61.452 60.764 0.688 11451 2281 1 3 . 1 1 161 161 THR CB C 161 70.781 70.781 71.987 -1.206 11451 2282 1 3 . 1 1 161 161 THR H H 161 8.817 8.817 9.270 -0.453 11451 2283 1 3 . 1 1 162 162 VAL N N 162 129.304 129.304 126.889 2.415 11451 2284 1 3 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.330 0.157 11451 2285 1 3 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.019 -0.262 11451 2286 1 3 . 1 1 162 162 VAL CB C 162 32.482 32.482 31.787 0.695 11451 2287 1 3 . 1 1 162 162 VAL H H 162 9.075 9.075 8.675 0.400 11451 2288 1 3 . 1 1 163 163 SER N N 163 123.979 123.979 123.661 0.318 11451 2289 1 3 . 1 1 163 163 SER HA H 163 4.601 4.601 4.699 -0.098 11451 2290 1 3 . 1 1 163 163 SER CA C 163 57.521 57.521 56.502 1.019 11451 2291 1 3 . 1 1 163 163 SER CB C 163 64.409 64.409 64.592 -0.183 11451 2292 1 3 . 1 1 163 163 SER H H 163 8.727 8.727 8.654 0.073 11451 2293 1 4 . 1 1 2 2 VAL N N 2 123.776 123.776 121.057 2.719 11451 2294 1 4 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.738 0.037 11451 2295 1 4 . 1 1 2 2 VAL CA C 2 61.024 61.024 61.249 -0.225 11451 2296 1 4 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.396 0.735 11451 2297 1 4 . 1 1 2 2 VAL H H 2 8.961 8.961 8.946 0.015 11451 2298 1 4 . 1 1 3 3 THR N N 3 121.749 121.749 124.132 -2.383 11451 2299 1 4 . 1 1 3 3 THR HA H 3 5.053 5.053 4.921 0.132 11451 2300 1 4 . 1 1 3 3 THR CA C 3 61.176 61.176 61.611 -0.435 11451 2301 1 4 . 1 1 3 3 THR CB C 3 70.356 70.356 69.856 0.500 11451 2302 1 4 . 1 1 3 3 THR H H 3 8.912 8.912 9.160 -0.248 11451 2303 1 4 . 1 1 4 4 PHE N N 4 125.726 125.726 126.586 -0.860 11451 2304 1 4 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.989 -0.194 11451 2305 1 4 . 1 1 4 4 PHE CA C 4 54.011 54.011 54.893 -0.882 11451 2306 1 4 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.152 -1.431 11451 2307 1 4 . 1 1 4 4 PHE H H 4 9.442 9.442 9.139 0.303 11451 2308 1 4 . 1 1 5 5 HIS N N 5 125.337 125.337 123.725 1.612 11451 2309 1 4 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.074 0.275 11451 2310 1 4 . 1 1 5 5 HIS CA C 5 54.308 54.308 54.994 -0.686 11451 2311 1 4 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.104 -3.587 11451 2312 1 4 . 1 1 5 5 HIS H H 5 8.897 8.897 9.447 -0.550 11451 2313 1 4 . 1 1 6 6 THR N N 6 115.752 115.752 116.803 -1.051 11451 2314 1 4 . 1 1 6 6 THR HA H 6 6.126 6.126 5.122 1.004 11451 2315 1 4 . 1 1 6 6 THR CA C 6 60.220 60.220 59.172 1.048 11451 2316 1 4 . 1 1 6 6 THR CB C 6 72.515 72.515 71.505 1.010 11451 2317 1 4 . 1 1 6 6 THR H H 6 7.881 7.881 8.169 -0.288 11451 2318 1 4 . 1 1 7 7 ASN N N 7 119.451 119.451 124.290 -4.839 11451 2319 1 4 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.562 0.013 11451 2320 1 4 . 1 1 7 7 ASN CA C 7 54.493 54.493 55.002 -0.509 11451 2321 1 4 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.061 -2.727 11451 2322 1 4 . 1 1 7 7 ASN H H 7 9.334 9.334 9.041 0.293 11451 2323 1 4 . 1 1 8 8 HIS N N 8 118.490 118.490 116.861 1.629 11451 2324 1 4 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.778 -0.287 11451 2325 1 4 . 1 1 8 8 HIS CA C 8 56.790 56.790 56.907 -0.117 11451 2326 1 4 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.407 1.227 11451 2327 1 4 . 1 1 8 8 HIS H H 8 8.663 8.663 7.611 1.052 11451 2328 1 4 . 1 1 9 9 GLY N N 9 108.550 108.550 106.536 2.014 11451 2329 1 4 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.547 -0.947 11451 2330 1 4 . 1 1 9 9 GLY H H 9 7.320 7.320 7.635 -0.315 11451 2331 1 4 . 1 1 10 10 ASP N N 10 123.900 123.900 121.699 2.201 11451 2332 1 4 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.294 0.326 11451 2333 1 4 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.610 -0.300 11451 2334 1 4 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.876 -0.376 11451 2335 1 4 . 1 1 10 10 ASP H H 10 8.857 8.857 8.499 0.358 11451 2336 1 4 . 1 1 11 11 ILE N N 11 121.150 121.150 123.187 -2.037 11451 2337 1 4 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.557 -0.221 11451 2338 1 4 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.096 1.180 11451 2339 1 4 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.148 -0.489 11451 2340 1 4 . 1 1 11 11 ILE H H 11 8.638 8.638 8.772 -0.134 11451 2341 1 4 . 1 1 12 12 VAL N N 12 129.487 129.487 124.701 4.786 11451 2342 1 4 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.756 -0.225 11451 2343 1 4 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.516 1.794 11451 2344 1 4 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.413 -2.171 11451 2345 1 4 . 1 1 12 12 VAL H H 12 8.771 8.771 8.901 -0.130 11451 2346 1 4 . 1 1 13 13 ILE N N 13 127.702 127.702 125.979 1.723 11451 2347 1 4 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.708 -0.038 11451 2348 1 4 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.658 0.080 11451 2349 1 4 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.938 -0.379 11451 2350 1 4 . 1 1 13 13 ILE H H 13 9.527 9.527 9.015 0.512 11451 2351 1 4 . 1 1 14 14 LYS N N 14 126.574 126.574 126.343 0.231 11451 2352 1 4 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.607 0.170 11451 2353 1 4 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.371 -0.528 11451 2354 1 4 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.868 0.632 11451 2355 1 4 . 1 1 14 14 LYS H H 14 8.684 8.684 8.696 -0.012 11451 2356 1 4 . 1 1 15 15 THR N N 15 113.811 113.811 117.384 -3.573 11451 2357 1 4 . 1 1 15 15 THR HA H 15 4.130 4.130 4.225 -0.095 11451 2358 1 4 . 1 1 15 15 THR CA C 15 59.806 59.806 60.536 -0.730 11451 2359 1 4 . 1 1 15 15 THR CB C 15 69.319 69.319 69.630 -0.311 11451 2360 1 4 . 1 1 15 15 THR H H 15 8.343 8.343 8.367 -0.024 11451 2361 1 4 . 1 1 16 16 PHE N N 16 122.611 122.611 123.859 -1.248 11451 2362 1 4 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.788 0.487 11451 2363 1 4 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.730 -1.440 11451 2364 1 4 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.751 -0.381 11451 2365 1 4 . 1 1 16 16 PHE H H 16 8.315 8.315 8.857 -0.542 11451 2366 1 4 . 1 1 17 17 ASP N N 17 120.182 120.182 122.993 -2.811 11451 2367 1 4 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.559 -0.797 11451 2368 1 4 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.542 0.416 11451 2369 1 4 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.974 -2.025 11451 2370 1 4 . 1 1 17 17 ASP H H 17 9.106 9.106 8.144 0.962 11451 2371 1 4 . 1 1 18 18 ASP N N 18 111.686 111.686 118.523 -6.837 11451 2372 1 4 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.517 -0.142 11451 2373 1 4 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.698 -1.675 11451 2374 1 4 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.634 -0.871 11451 2375 1 4 . 1 1 18 18 ASP H H 18 8.584 8.584 8.739 -0.155 11451 2376 1 4 . 1 1 19 19 LYS N N 19 118.003 118.003 116.538 1.465 11451 2377 1 4 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.391 0.045 11451 2378 1 4 . 1 1 19 19 LYS CA C 19 55.387 55.387 56.446 -1.059 11451 2379 1 4 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.416 0.451 11451 2380 1 4 . 1 1 19 19 LYS H H 19 7.333 7.333 7.989 -0.656 11451 2381 1 4 . 1 1 20 20 ALA N N 20 123.657 123.657 121.801 1.856 11451 2382 1 4 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.038 -0.420 11451 2383 1 4 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.796 -0.679 11451 2384 1 4 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.977 -0.743 11451 2385 1 4 . 1 1 20 20 ALA H H 20 7.560 7.560 8.222 -0.662 11451 2386 1 4 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.296 0.128 11451 2387 1 4 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.635 0.642 11451 2388 1 4 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.820 -0.312 11451 2389 1 4 . 1 1 22 22 GLU N N 22 122.557 122.557 118.740 3.817 11451 2390 1 4 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.177 -0.165 11451 2391 1 4 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.114 0.510 11451 2392 1 4 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.070 -0.590 11451 2393 1 4 . 1 1 22 22 GLU H H 22 9.855 9.855 8.138 1.717 11451 2394 1 4 . 1 1 23 23 THR N N 23 122.201 122.201 118.297 3.904 11451 2395 1 4 . 1 1 23 23 THR HA H 23 3.584 3.584 4.026 -0.442 11451 2396 1 4 . 1 1 23 23 THR CA C 23 66.554 66.554 67.155 -0.601 11451 2397 1 4 . 1 1 23 23 THR CB C 23 67.614 67.614 68.915 -1.301 11451 2398 1 4 . 1 1 23 23 THR H H 23 9.390 9.390 8.865 0.525 11451 2399 1 4 . 1 1 24 24 VAL N N 24 125.111 125.111 121.327 3.784 11451 2400 1 4 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.757 -0.272 11451 2401 1 4 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.751 1.556 11451 2402 1 4 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.087 -0.198 11451 2403 1 4 . 1 1 24 24 VAL H H 24 9.359 9.359 8.474 0.885 11451 2404 1 4 . 1 1 25 25 LYS N N 25 121.050 121.050 120.642 0.408 11451 2405 1 4 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.972 -0.104 11451 2406 1 4 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.523 0.716 11451 2407 1 4 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.917 -0.220 11451 2408 1 4 . 1 1 25 25 LYS H H 25 7.686 7.686 8.576 -0.890 11451 2409 1 4 . 1 1 26 26 ASN N N 26 116.337 116.337 117.623 -1.286 11451 2410 1 4 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.466 -0.410 11451 2411 1 4 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.064 0.495 11451 2412 1 4 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.451 2.241 11451 2413 1 4 . 1 1 26 26 ASN H H 26 7.535 7.535 7.915 -0.380 11451 2414 1 4 . 1 1 27 27 PHE N N 27 119.858 119.858 121.736 -1.878 11451 2415 1 4 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.422 0.117 11451 2416 1 4 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.938 -1.004 11451 2417 1 4 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.179 0.652 11451 2418 1 4 . 1 1 27 27 PHE H H 27 7.867 7.867 8.122 -0.255 11451 2419 1 4 . 1 1 28 28 LEU N N 28 120.761 120.761 119.870 0.891 11451 2420 1 4 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.909 -0.166 11451 2421 1 4 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.210 -0.342 11451 2422 1 4 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.441 -0.187 11451 2423 1 4 . 1 1 28 28 LEU H H 28 9.377 9.377 8.751 0.626 11451 2424 1 4 . 1 1 29 29 ASP N N 29 121.607 121.607 119.323 2.284 11451 2425 1 4 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.328 -0.033 11451 2426 1 4 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.639 0.190 11451 2427 1 4 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.434 -1.408 11451 2428 1 4 . 1 1 29 29 ASP H H 29 8.374 8.374 8.545 -0.171 11451 2429 1 4 . 1 1 30 30 TYR N N 30 118.959 118.959 119.580 -0.621 11451 2430 1 4 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.309 -0.304 11451 2431 1 4 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.828 -0.081 11451 2432 1 4 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.284 -0.545 11451 2433 1 4 . 1 1 30 30 TYR H H 30 7.287 7.287 7.631 -0.344 11451 2434 1 4 . 1 1 31 31 CYS N N 31 116.202 116.202 118.740 -2.538 11451 2435 1 4 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.307 -0.273 11451 2436 1 4 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.457 0.946 11451 2437 1 4 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.462 -0.241 11451 2438 1 4 . 1 1 31 31 CYS H H 31 8.336 8.336 8.160 0.176 11451 2439 1 4 . 1 1 32 32 ARG N N 32 121.949 121.949 121.169 0.780 11451 2440 1 4 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.127 -0.265 11451 2441 1 4 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.982 0.737 11451 2442 1 4 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.096 0.278 11451 2443 1 4 . 1 1 32 32 ARG H H 32 9.077 9.077 8.344 0.733 11451 2444 1 4 . 1 1 33 33 GLU N N 33 116.667 116.667 116.215 0.452 11451 2445 1 4 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.295 -0.108 11451 2446 1 4 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.531 -0.082 11451 2447 1 4 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.609 -0.351 11451 2448 1 4 . 1 1 33 33 GLU H H 33 7.920 7.920 7.782 0.138 11451 2449 1 4 . 1 1 34 34 GLY N N 34 107.273 107.273 106.601 0.672 11451 2450 1 4 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.151 0.247 11451 2451 1 4 . 1 1 34 34 GLY H H 34 7.533 7.533 7.937 -0.404 11451 2452 1 4 . 1 1 35 35 PHE N N 35 122.134 122.134 122.051 0.083 11451 2453 1 4 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.267 -0.602 11451 2454 1 4 . 1 1 35 35 PHE CA C 35 61.605 61.605 60.237 1.368 11451 2455 1 4 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.237 0.833 11451 2456 1 4 . 1 1 35 35 PHE H H 35 8.129 8.129 8.410 -0.281 11451 2457 1 4 . 1 1 36 36 TYR N N 36 111.250 111.250 114.000 -2.750 11451 2458 1 4 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.279 0.045 11451 2459 1 4 . 1 1 36 36 TYR CA C 36 57.678 57.678 59.896 -2.218 11451 2460 1 4 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.112 -0.652 11451 2461 1 4 . 1 1 36 36 TYR H H 36 7.355 7.355 8.363 -1.008 11451 2462 1 4 . 1 1 37 37 ASN N N 37 121.890 121.890 117.336 4.554 11451 2463 1 4 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.649 -0.824 11451 2464 1 4 . 1 1 37 37 ASN CA C 37 54.179 54.179 55.086 -0.907 11451 2465 1 4 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.524 -2.669 11451 2466 1 4 . 1 1 37 37 ASN H H 37 7.106 7.106 7.742 -0.636 11451 2467 1 4 . 1 1 38 38 ASN N N 38 121.572 121.572 117.058 4.514 11451 2468 1 4 . 1 1 38 38 ASN HA H 38 4.048 4.048 5.058 -1.010 11451 2469 1 4 . 1 1 38 38 ASN CA C 38 54.720 54.720 52.380 2.340 11451 2470 1 4 . 1 1 38 38 ASN CB C 38 38.538 38.538 39.446 -0.908 11451 2471 1 4 . 1 1 38 38 ASN H H 38 9.235 9.235 7.818 1.417 11451 2472 1 4 . 1 1 39 39 THR N N 39 104.540 104.540 111.341 -6.801 11451 2473 1 4 . 1 1 39 39 THR HA H 39 5.006 5.006 5.330 -0.324 11451 2474 1 4 . 1 1 39 39 THR CA C 39 59.979 59.979 59.955 0.024 11451 2475 1 4 . 1 1 39 39 THR CB C 39 72.789 72.789 71.791 0.998 11451 2476 1 4 . 1 1 39 39 THR H H 39 7.328 7.328 7.670 -0.342 11451 2477 1 4 . 1 1 40 40 ILE N N 40 108.904 108.904 113.915 -5.011 11451 2478 1 4 . 1 1 40 40 ILE HA H 40 5.669 5.669 4.960 0.709 11451 2479 1 4 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.552 0.248 11451 2480 1 4 . 1 1 40 40 ILE CB C 40 39.724 39.724 42.037 -2.313 11451 2481 1 4 . 1 1 40 40 ILE H H 40 7.943 7.943 8.290 -0.347 11451 2482 1 4 . 1 1 41 41 PHE N N 41 122.068 122.068 121.392 0.676 11451 2483 1 4 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.919 0.041 11451 2484 1 4 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.456 1.361 11451 2485 1 4 . 1 1 41 41 PHE CB C 41 37.410 37.410 38.642 -1.232 11451 2486 1 4 . 1 1 41 41 PHE H H 41 8.289 8.289 8.749 -0.460 11451 2487 1 4 . 1 1 42 42 HIS N N 42 121.477 121.477 119.296 2.181 11451 2488 1 4 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.574 -0.298 11451 2489 1 4 . 1 1 42 42 HIS CA C 42 56.598 56.598 55.923 0.675 11451 2490 1 4 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.075 1.588 11451 2491 1 4 . 1 1 42 42 HIS H H 42 7.862 7.862 7.961 -0.099 11451 2492 1 4 . 1 1 43 43 ARG N N 43 123.403 123.403 117.836 5.567 11451 2493 1 4 . 1 1 43 43 ARG HA H 43 4.616 4.616 5.074 -0.458 11451 2494 1 4 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.210 1.108 11451 2495 1 4 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.699 -1.424 11451 2496 1 4 . 1 1 43 43 ARG H H 43 6.933 6.933 7.181 -0.248 11451 2497 1 4 . 1 1 44 44 VAL N N 44 129.359 129.359 122.661 6.698 11451 2498 1 4 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.318 -0.178 11451 2499 1 4 . 1 1 44 44 VAL CA C 44 62.374 62.374 61.260 1.114 11451 2500 1 4 . 1 1 44 44 VAL CB C 44 35.191 35.191 34.452 0.739 11451 2501 1 4 . 1 1 44 44 VAL H H 44 9.023 9.023 8.242 0.781 11451 2502 1 4 . 1 1 45 45 ILE N N 45 126.532 126.532 124.975 1.557 11451 2503 1 4 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.441 -0.205 11451 2504 1 4 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.564 0.900 11451 2505 1 4 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.102 -2.152 11451 2506 1 4 . 1 1 45 45 ILE H H 45 8.243 8.243 8.300 -0.057 11451 2507 1 4 . 1 1 46 46 ASN N N 46 128.015 128.015 126.788 1.227 11451 2508 1 4 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.690 -0.529 11451 2509 1 4 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.780 -0.439 11451 2510 1 4 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.673 -1.999 11451 2511 1 4 . 1 1 46 46 ASN H H 46 9.127 9.127 8.771 0.356 11451 2512 1 4 . 1 1 47 47 GLY N N 47 110.314 110.314 108.675 1.639 11451 2513 1 4 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.694 -0.064 11451 2514 1 4 . 1 1 47 47 GLY H H 47 7.542 7.542 8.891 -1.349 11451 2515 1 4 . 1 1 48 48 PHE N N 48 116.701 116.701 118.929 -2.228 11451 2516 1 4 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.829 0.313 11451 2517 1 4 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.106 1.394 11451 2518 1 4 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.050 -2.722 11451 2519 1 4 . 1 1 48 48 PHE H H 48 7.800 7.800 7.531 0.269 11451 2520 1 4 . 1 1 49 49 MET N N 49 117.710 117.710 117.644 0.066 11451 2521 1 4 . 1 1 49 49 MET HA H 49 5.027 5.027 4.592 0.435 11451 2522 1 4 . 1 1 49 49 MET CA C 49 55.009 55.009 53.288 1.721 11451 2523 1 4 . 1 1 49 49 MET CB C 49 35.120 35.120 33.448 1.672 11451 2524 1 4 . 1 1 49 49 MET H H 49 8.363 8.363 7.004 1.359 11451 2525 1 4 . 1 1 50 50 ILE N N 50 110.774 110.774 113.391 -2.617 11451 2526 1 4 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.722 0.145 11451 2527 1 4 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.457 0.278 11451 2528 1 4 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.407 -0.146 11451 2529 1 4 . 1 1 50 50 ILE H H 50 7.749 7.749 7.666 0.083 11451 2530 1 4 . 1 1 51 51 GLN N N 51 127.997 127.997 125.268 2.729 11451 2531 1 4 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.789 0.412 11451 2532 1 4 . 1 1 51 51 GLN CA C 51 54.052 54.052 54.345 -0.293 11451 2533 1 4 . 1 1 51 51 GLN CB C 51 31.684 31.684 31.988 -0.304 11451 2534 1 4 . 1 1 51 51 GLN H H 51 9.198 9.198 8.043 1.155 11451 2535 1 4 . 1 1 52 52 GLY N N 52 111.413 111.413 107.808 3.605 11451 2536 1 4 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.065 1.228 11451 2537 1 4 . 1 1 52 52 GLY H H 52 8.037 8.037 8.460 -0.423 11451 2538 1 4 . 1 1 53 53 GLY N N 53 106.177 106.177 107.031 -0.854 11451 2539 1 4 . 1 1 53 53 GLY CA C 53 46.077 46.077 45.915 0.162 11451 2540 1 4 . 1 1 53 53 GLY H H 53 8.334 8.334 8.144 0.190 11451 2541 1 4 . 1 1 54 54 GLY N N 54 129.939 129.939 106.039 23.900 11451 2542 1 4 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.304 0.108 11451 2543 1 4 . 1 1 54 54 GLY H H 54 9.068 9.068 7.552 1.516 11451 2544 1 4 . 1 1 55 55 PHE N N 55 121.195 121.195 116.528 4.667 11451 2545 1 4 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.979 -0.092 11451 2546 1 4 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.242 0.456 11451 2547 1 4 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.602 -0.756 11451 2548 1 4 . 1 1 55 55 PHE H H 55 9.329 9.329 7.153 2.176 11451 2549 1 4 . 1 1 56 56 GLU N N 56 120.126 120.126 119.758 0.368 11451 2550 1 4 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.036 -0.188 11451 2551 1 4 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.511 0.688 11451 2552 1 4 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.044 -0.592 11451 2553 1 4 . 1 1 56 56 GLU H H 56 8.531 8.531 8.390 0.141 11451 2554 1 4 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.303 -0.313 11451 2555 1 4 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.457 0.406 11451 2556 1 4 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.627 -0.759 11451 2557 1 4 . 1 1 58 58 GLY N N 58 113.477 113.477 105.181 8.296 11451 2558 1 4 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.215 0.151 11451 2559 1 4 . 1 1 58 58 GLY H H 58 9.454 9.454 8.054 1.400 11451 2560 1 4 . 1 1 59 59 MET N N 59 114.007 114.007 116.115 -2.108 11451 2561 1 4 . 1 1 59 59 MET HA H 59 3.946 3.946 3.810 0.136 11451 2562 1 4 . 1 1 59 59 MET CA C 59 54.650 54.650 55.367 -0.717 11451 2563 1 4 . 1 1 59 59 MET CB C 59 25.875 25.875 28.906 -3.031 11451 2564 1 4 . 1 1 59 59 MET H H 59 8.027 8.027 7.844 0.183 11451 2565 1 4 . 1 1 60 60 LYS N N 60 120.420 120.420 120.250 0.170 11451 2566 1 4 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.562 -0.096 11451 2567 1 4 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.339 -0.381 11451 2568 1 4 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.353 -1.043 11451 2569 1 4 . 1 1 60 60 LYS H H 60 6.996 6.996 7.553 -0.557 11451 2570 1 4 . 1 1 61 61 GLN N N 61 130.250 130.250 126.320 3.930 11451 2571 1 4 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.170 -0.784 11451 2572 1 4 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.265 0.514 11451 2573 1 4 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.397 -0.956 11451 2574 1 4 . 1 1 61 61 GLN H H 61 8.965 8.965 8.804 0.161 11451 2575 1 4 . 1 1 62 62 LYS N N 62 126.196 126.196 125.520 0.676 11451 2576 1 4 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.226 -0.096 11451 2577 1 4 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.928 0.762 11451 2578 1 4 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.504 0.268 11451 2579 1 4 . 1 1 62 62 LYS H H 62 7.323 7.323 8.002 -0.679 11451 2580 1 4 . 1 1 63 63 ALA N N 63 127.588 127.588 126.200 1.388 11451 2581 1 4 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.422 -0.138 11451 2582 1 4 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.527 1.118 11451 2583 1 4 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.312 1.061 11451 2584 1 4 . 1 1 63 63 ALA H H 63 8.458 8.458 8.672 -0.214 11451 2585 1 4 . 1 1 64 64 THR N N 64 111.370 111.370 114.226 -2.856 11451 2586 1 4 . 1 1 64 64 THR HA H 64 4.550 4.550 4.222 0.328 11451 2587 1 4 . 1 1 64 64 THR CA C 64 60.554 60.554 62.198 -1.644 11451 2588 1 4 . 1 1 64 64 THR CB C 64 71.700 71.700 69.380 2.320 11451 2589 1 4 . 1 1 64 64 THR H H 64 8.122 8.122 7.808 0.314 11451 2590 1 4 . 1 1 65 65 LYS N N 65 118.451 118.451 125.539 -7.088 11451 2591 1 4 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.524 -0.105 11451 2592 1 4 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.077 0.269 11451 2593 1 4 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.281 -2.799 11451 2594 1 4 . 1 1 65 65 LYS H H 65 7.879 7.879 8.153 -0.274 11451 2595 1 4 . 1 1 66 66 GLU N N 66 118.805 118.805 119.699 -0.894 11451 2596 1 4 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.151 0.006 11451 2597 1 4 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.555 -0.673 11451 2598 1 4 . 1 1 66 66 GLU CB C 66 28.350 28.350 27.872 0.478 11451 2599 1 4 . 1 1 66 66 GLU H H 66 7.872 7.872 8.733 -0.861 11451 2600 1 4 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.396 0.458 11451 2601 1 4 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.453 -1.298 11451 2602 1 4 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.208 0.482 11451 2603 1 4 . 1 1 68 68 ILE N N 68 112.686 112.686 118.923 -6.237 11451 2604 1 4 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.530 -0.093 11451 2605 1 4 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.103 -0.132 11451 2606 1 4 . 1 1 68 68 ILE CB C 68 41.525 41.525 41.593 -0.068 11451 2607 1 4 . 1 1 68 68 ILE H H 68 8.235 8.235 7.821 0.414 11451 2608 1 4 . 1 1 69 69 LYS N N 69 121.199 121.199 122.170 -0.971 11451 2609 1 4 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.597 -0.656 11451 2610 1 4 . 1 1 69 69 LYS CA C 69 55.060 55.060 54.967 0.093 11451 2611 1 4 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.882 -0.742 11451 2612 1 4 . 1 1 69 69 LYS H H 69 7.849 7.849 8.307 -0.458 11451 2613 1 4 . 1 1 70 70 ASN N N 70 126.585 126.585 120.169 6.416 11451 2614 1 4 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.670 -0.448 11451 2615 1 4 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.746 -0.418 11451 2616 1 4 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.579 -1.442 11451 2617 1 4 . 1 1 70 70 ASN H H 70 10.816 10.816 8.984 1.832 11451 2618 1 4 . 1 1 71 71 GLU N N 71 126.223 126.223 123.642 2.581 11451 2619 1 4 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.934 -0.281 11451 2620 1 4 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.474 -0.877 11451 2621 1 4 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.836 -0.056 11451 2622 1 4 . 1 1 71 71 GLU H H 71 8.202 8.202 8.779 -0.577 11451 2623 1 4 . 1 1 72 72 ALA N N 72 120.736 120.736 123.375 -2.639 11451 2624 1 4 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.144 0.088 11451 2625 1 4 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.975 0.145 11451 2626 1 4 . 1 1 72 72 ALA CB C 72 18.506 18.506 18.999 -0.493 11451 2627 1 4 . 1 1 72 72 ALA H H 72 9.149 9.149 8.513 0.636 11451 2628 1 4 . 1 1 73 73 ASN N N 73 114.744 114.744 115.441 -0.697 11451 2629 1 4 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.778 0.403 11451 2630 1 4 . 1 1 73 73 ASN CA C 73 52.331 52.331 54.088 -1.757 11451 2631 1 4 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.756 -2.080 11451 2632 1 4 . 1 1 73 73 ASN H H 73 7.892 7.892 8.581 -0.689 11451 2633 1 4 . 1 1 74 74 ASN N N 74 119.796 119.796 117.799 1.997 11451 2634 1 4 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.575 -0.196 11451 2635 1 4 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.838 -1.071 11451 2636 1 4 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.786 -0.371 11451 2637 1 4 . 1 1 74 74 ASN H H 74 8.408 8.408 7.374 1.034 11451 2638 1 4 . 1 1 75 75 GLY N N 75 108.891 108.891 107.673 1.218 11451 2639 1 4 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.121 0.506 11451 2640 1 4 . 1 1 75 75 GLY H H 75 7.971 7.971 7.711 0.260 11451 2641 1 4 . 1 1 76 76 LEU N N 76 120.602 120.602 120.690 -0.088 11451 2642 1 4 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.306 0.005 11451 2643 1 4 . 1 1 76 76 LEU CA C 76 54.599 54.599 55.100 -0.501 11451 2644 1 4 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.694 -1.607 11451 2645 1 4 . 1 1 76 76 LEU H H 76 7.734 7.734 7.416 0.318 11451 2646 1 4 . 1 1 77 77 LYS N N 77 121.982 121.982 119.057 2.925 11451 2647 1 4 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.804 -0.354 11451 2648 1 4 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.816 0.185 11451 2649 1 4 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.793 -1.093 11451 2650 1 4 . 1 1 77 77 LYS H H 77 8.161 8.161 8.227 -0.066 11451 2651 1 4 . 1 1 78 78 ASN N N 78 124.764 124.764 122.653 2.111 11451 2652 1 4 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.009 -0.342 11451 2653 1 4 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.335 0.979 11451 2654 1 4 . 1 1 78 78 ASN CB C 78 37.130 37.130 39.245 -2.115 11451 2655 1 4 . 1 1 78 78 ASN H H 78 9.564 9.564 9.337 0.227 11451 2656 1 4 . 1 1 79 79 THR N N 79 114.955 114.955 114.285 0.670 11451 2657 1 4 . 1 1 79 79 THR HA H 79 4.263 4.263 4.872 -0.609 11451 2658 1 4 . 1 1 79 79 THR CA C 79 60.774 60.774 60.239 0.535 11451 2659 1 4 . 1 1 79 79 THR CB C 79 70.347 70.347 71.893 -1.546 11451 2660 1 4 . 1 1 79 79 THR H H 79 8.190 8.190 8.506 -0.316 11451 2661 1 4 . 1 1 80 80 ARG N N 80 124.080 124.080 121.665 2.415 11451 2662 1 4 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.988 -0.785 11451 2663 1 4 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.338 1.149 11451 2664 1 4 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.356 -0.447 11451 2665 1 4 . 1 1 80 80 ARG H H 80 9.203 9.203 9.304 -0.101 11451 2666 1 4 . 1 1 81 81 GLY N N 81 115.741 115.741 114.233 1.508 11451 2667 1 4 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.053 0.018 11451 2668 1 4 . 1 1 81 81 GLY H H 81 8.976 8.976 9.204 -0.228 11451 2669 1 4 . 1 1 82 82 THR N N 82 110.362 110.362 110.977 -0.615 11451 2670 1 4 . 1 1 82 82 THR HA H 82 4.623 4.623 4.652 -0.029 11451 2671 1 4 . 1 1 82 82 THR CA C 82 61.694 61.694 59.590 2.104 11451 2672 1 4 . 1 1 82 82 THR CB C 82 72.230 72.230 71.577 0.653 11451 2673 1 4 . 1 1 82 82 THR H H 82 8.070 8.070 7.437 0.633 11451 2674 1 4 . 1 1 83 83 LEU N N 83 121.341 121.341 122.266 -0.925 11451 2675 1 4 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.363 -0.144 11451 2676 1 4 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.886 0.464 11451 2677 1 4 . 1 1 83 83 LEU CB C 83 43.519 43.519 46.044 -2.525 11451 2678 1 4 . 1 1 83 83 LEU H H 83 7.918 7.918 8.266 -0.348 11451 2679 1 4 . 1 1 84 84 ALA N N 84 121.663 121.663 123.544 -1.881 11451 2680 1 4 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.266 0.251 11451 2681 1 4 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.751 -0.682 11451 2682 1 4 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.634 1.351 11451 2683 1 4 . 1 1 84 84 ALA H H 84 8.053 8.053 7.954 0.099 11451 2684 1 4 . 1 1 85 85 MET N N 85 115.338 115.338 118.487 -3.149 11451 2685 1 4 . 1 1 85 85 MET HA H 85 5.241 5.241 4.748 0.493 11451 2686 1 4 . 1 1 85 85 MET CA C 85 52.707 52.707 53.097 -0.390 11451 2687 1 4 . 1 1 85 85 MET CB C 85 29.801 29.801 32.478 -2.677 11451 2688 1 4 . 1 1 85 85 MET H H 85 7.539 7.539 8.176 -0.637 11451 2689 1 4 . 1 1 86 86 ALA N N 86 126.558 126.558 128.060 -1.502 11451 2690 1 4 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.808 -0.125 11451 2691 1 4 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.291 -0.084 11451 2692 1 4 . 1 1 86 86 ALA CB C 86 19.416 19.416 19.731 -0.315 11451 2693 1 4 . 1 1 86 86 ALA H H 86 8.287 8.287 8.718 -0.431 11451 2694 1 4 . 1 1 87 87 ARG N N 87 113.623 113.623 123.542 -9.919 11451 2695 1 4 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.472 0.162 11451 2696 1 4 . 1 1 87 87 ARG CA C 87 55.768 55.768 56.287 -0.519 11451 2697 1 4 . 1 1 87 87 ARG CB C 87 29.722 29.722 30.764 -1.042 11451 2698 1 4 . 1 1 87 87 ARG H H 87 8.031 8.031 8.722 -0.691 11451 2699 1 4 . 1 1 88 88 THR N N 88 111.627 111.627 115.863 -4.236 11451 2700 1 4 . 1 1 88 88 THR HA H 88 4.624 4.624 4.270 0.354 11451 2701 1 4 . 1 1 88 88 THR CA C 88 60.554 60.554 65.396 -4.842 11451 2702 1 4 . 1 1 88 88 THR CB C 88 68.430 68.430 69.570 -1.140 11451 2703 1 4 . 1 1 88 88 THR H H 88 7.892 7.892 8.528 -0.636 11451 2704 1 4 . 1 1 89 89 GLN N N 89 117.361 117.361 117.534 -0.173 11451 2705 1 4 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.420 -0.569 11451 2706 1 4 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.691 2.220 11451 2707 1 4 . 1 1 89 89 GLN CB C 89 28.370 28.370 29.959 -1.589 11451 2708 1 4 . 1 1 89 89 GLN H H 89 8.188 8.188 8.300 -0.112 11451 2709 1 4 . 1 1 90 90 ALA N N 90 122.998 122.998 124.460 -1.462 11451 2710 1 4 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.541 -0.196 11451 2711 1 4 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.076 -0.350 11451 2712 1 4 . 1 1 90 90 ALA CB C 90 17.174 17.174 18.038 -0.864 11451 2713 1 4 . 1 1 90 90 ALA H H 90 7.962 7.962 8.263 -0.301 11451 2714 1 4 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.895 -0.427 11451 2715 1 4 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.403 1.034 11451 2716 1 4 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.255 -1.286 11451 2717 1 4 . 1 1 92 92 HIS N N 92 118.470 118.470 116.844 1.626 11451 2718 1 4 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.795 0.029 11451 2719 1 4 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.870 -1.669 11451 2720 1 4 . 1 1 92 92 HIS CB C 92 28.309 28.309 28.214 0.095 11451 2721 1 4 . 1 1 92 92 HIS H H 92 7.977 7.977 8.131 -0.154 11451 2722 1 4 . 1 1 93 93 SER N N 93 108.425 108.425 114.099 -5.674 11451 2723 1 4 . 1 1 93 93 SER HA H 93 4.380 4.380 4.613 -0.233 11451 2724 1 4 . 1 1 93 93 SER CA C 93 57.696 57.696 58.156 -0.460 11451 2725 1 4 . 1 1 93 93 SER CB C 93 65.924 65.924 63.924 2.000 11451 2726 1 4 . 1 1 93 93 SER H H 93 6.374 6.374 7.479 -1.105 11451 2727 1 4 . 1 1 94 94 ALA N N 94 130.109 130.109 126.397 3.712 11451 2728 1 4 . 1 1 94 94 ALA HA H 94 4.276 4.276 4.548 -0.272 11451 2729 1 4 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.517 2.656 11451 2730 1 4 . 1 1 94 94 ALA CB C 94 20.366 20.366 17.716 2.650 11451 2731 1 4 . 1 1 94 94 ALA H H 94 8.543 8.543 7.606 0.937 11451 2732 1 4 . 1 1 95 95 THR N N 95 110.794 110.794 113.997 -3.203 11451 2733 1 4 . 1 1 95 95 THR HA H 95 4.722 4.722 4.155 0.567 11451 2734 1 4 . 1 1 95 95 THR CA C 95 59.725 59.725 64.345 -4.620 11451 2735 1 4 . 1 1 95 95 THR CB C 95 70.157 70.157 69.448 0.709 11451 2736 1 4 . 1 1 95 95 THR H H 95 8.925 8.925 7.856 1.069 11451 2737 1 4 . 1 1 96 96 ALA N N 96 121.615 121.615 122.331 -0.716 11451 2738 1 4 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.812 -0.385 11451 2739 1 4 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.800 -0.264 11451 2740 1 4 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.017 4.199 11451 2741 1 4 . 1 1 96 96 ALA H H 96 7.954 7.954 8.462 -0.508 11451 2742 1 4 . 1 1 97 97 GLN N N 97 115.548 115.548 117.277 -1.729 11451 2743 1 4 . 1 1 97 97 GLN HA H 97 4.629 4.629 5.042 -0.413 11451 2744 1 4 . 1 1 97 97 GLN CA C 97 57.388 57.388 54.792 2.596 11451 2745 1 4 . 1 1 97 97 GLN CB C 97 30.757 30.757 32.886 -2.129 11451 2746 1 4 . 1 1 97 97 GLN H H 97 7.866 7.866 7.828 0.038 11451 2747 1 4 . 1 1 98 98 PHE N N 98 117.593 117.593 118.090 -0.497 11451 2748 1 4 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.651 0.137 11451 2749 1 4 . 1 1 98 98 PHE CA C 98 54.655 54.655 56.158 -1.504 11451 2750 1 4 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.300 -0.075 11451 2751 1 4 . 1 1 98 98 PHE H H 98 7.623 7.623 8.779 -1.156 11451 2752 1 4 . 1 1 99 99 PHE N N 99 116.226 116.226 114.349 1.877 11451 2753 1 4 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.213 0.519 11451 2754 1 4 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.745 -0.696 11451 2755 1 4 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.132 1.888 11451 2756 1 4 . 1 1 99 99 PHE H H 99 9.518 9.518 8.662 0.856 11451 2757 1 4 . 1 1 100 100 ILE N N 100 117.687 117.687 120.502 -2.815 11451 2758 1 4 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.816 0.011 11451 2759 1 4 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.221 -0.872 11451 2760 1 4 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.735 -0.066 11451 2761 1 4 . 1 1 100 100 ILE H H 100 9.136 9.136 8.881 0.255 11451 2762 1 4 . 1 1 101 101 ASN N N 101 126.524 126.524 128.060 -1.536 11451 2763 1 4 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.802 -0.343 11451 2764 1 4 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.253 2.480 11451 2765 1 4 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.188 1.738 11451 2766 1 4 . 1 1 101 101 ASN H H 101 8.877 8.877 9.267 -0.390 11451 2767 1 4 . 1 1 102 102 VAL N N 102 117.660 117.660 122.441 -4.781 11451 2768 1 4 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.936 0.475 11451 2769 1 4 . 1 1 102 102 VAL CA C 102 61.907 61.907 62.999 -1.093 11451 2770 1 4 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.505 -2.135 11451 2771 1 4 . 1 1 102 102 VAL H H 102 7.700 7.700 7.975 -0.275 11451 2772 1 4 . 1 1 103 103 VAL N N 103 116.637 116.637 112.073 4.564 11451 2773 1 4 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.405 -0.052 11451 2774 1 4 . 1 1 103 103 VAL CA C 103 59.659 59.659 59.285 0.374 11451 2775 1 4 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.637 0.873 11451 2776 1 4 . 1 1 103 103 VAL H H 103 7.753 7.753 7.136 0.617 11451 2777 1 4 . 1 1 104 104 ASP N N 104 118.510 118.510 121.776 -3.266 11451 2778 1 4 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.679 -0.424 11451 2779 1 4 . 1 1 104 104 ASP CA C 104 55.500 55.500 54.733 0.767 11451 2780 1 4 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.131 -2.043 11451 2781 1 4 . 1 1 104 104 ASP H H 104 8.171 8.171 8.418 -0.247 11451 2782 1 4 . 1 1 105 105 ASN N N 105 128.132 128.132 123.497 4.635 11451 2783 1 4 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.815 0.264 11451 2784 1 4 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.066 -0.537 11451 2785 1 4 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.023 0.112 11451 2786 1 4 . 1 1 105 105 ASN H H 105 8.352 8.352 8.126 0.226 11451 2787 1 4 . 1 1 106 106 ASP N N 106 121.636 121.636 122.729 -1.093 11451 2788 1 4 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.294 -0.023 11451 2789 1 4 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.014 -0.227 11451 2790 1 4 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.915 -1.110 11451 2791 1 4 . 1 1 106 106 ASP H H 106 8.203 8.203 8.757 -0.554 11451 2792 1 4 . 1 1 107 107 PHE N N 107 114.525 114.525 115.050 -0.525 11451 2793 1 4 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.446 0.052 11451 2794 1 4 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.089 -1.694 11451 2795 1 4 . 1 1 107 107 PHE CB C 107 36.780 36.780 37.998 -1.218 11451 2796 1 4 . 1 1 107 107 PHE H H 107 7.388 7.388 7.751 -0.363 11451 2797 1 4 . 1 1 108 108 LEU N N 108 121.576 121.576 118.404 3.172 11451 2798 1 4 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.534 -0.068 11451 2799 1 4 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.353 -0.875 11451 2800 1 4 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.284 0.815 11451 2801 1 4 . 1 1 108 108 LEU H H 108 7.163 7.163 7.335 -0.172 11451 2802 1 4 . 1 1 109 109 ASN N N 109 116.121 116.121 117.928 -1.807 11451 2803 1 4 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.980 0.169 11451 2804 1 4 . 1 1 109 109 ASN CA C 109 52.970 52.970 52.909 0.061 11451 2805 1 4 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.293 -1.174 11451 2806 1 4 . 1 1 109 109 ASN H H 109 7.312 7.312 7.882 -0.570 11451 2807 1 4 . 1 1 110 110 PHE N N 110 124.182 124.182 119.862 4.320 11451 2808 1 4 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.765 -0.513 11451 2809 1 4 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.241 -0.186 11451 2810 1 4 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.120 -0.327 11451 2811 1 4 . 1 1 110 110 PHE H H 110 8.825 8.825 8.916 -0.091 11451 2812 1 4 . 1 1 111 111 SER N N 111 122.136 122.136 121.176 0.960 11451 2813 1 4 . 1 1 111 111 SER HA H 111 4.179 4.179 4.350 -0.171 11451 2814 1 4 . 1 1 111 111 SER CA C 111 57.521 57.521 57.811 -0.290 11451 2815 1 4 . 1 1 111 111 SER CB C 111 64.617 64.617 64.166 0.451 11451 2816 1 4 . 1 1 111 111 SER H H 111 9.456 9.456 8.278 1.178 11451 2817 1 4 . 1 1 112 112 GLY N N 112 110.435 110.435 107.886 2.549 11451 2818 1 4 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.881 0.497 11451 2819 1 4 . 1 1 112 112 GLY H H 112 5.514 5.514 6.899 -1.385 11451 2820 1 4 . 1 1 113 113 GLU N N 113 118.926 118.926 118.299 0.627 11451 2821 1 4 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.622 -0.975 11451 2822 1 4 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.436 -2.466 11451 2823 1 4 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.056 -2.393 11451 2824 1 4 . 1 1 113 113 GLU H H 113 7.862 7.862 8.061 -0.199 11451 2825 1 4 . 1 1 114 114 SER N N 114 119.323 119.323 114.257 5.066 11451 2826 1 4 . 1 1 114 114 SER HA H 114 4.625 4.625 4.795 -0.170 11451 2827 1 4 . 1 1 114 114 SER CA C 114 56.279 56.279 57.135 -0.856 11451 2828 1 4 . 1 1 114 114 SER H H 114 7.621 7.621 7.950 -0.330 11451 2829 1 4 . 1 1 115 115 LEU N N 115 122.373 122.373 126.514 -4.141 11451 2830 1 4 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.879 0.238 11451 2831 1 4 . 1 1 115 115 LEU CA C 115 58.960 58.960 58.195 0.765 11451 2832 1 4 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.767 -0.642 11451 2833 1 4 . 1 1 115 115 LEU H H 115 8.745 8.745 9.093 -0.348 11451 2834 1 4 . 1 1 116 116 GLN N N 116 114.490 114.490 115.805 -1.315 11451 2835 1 4 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.291 -0.029 11451 2836 1 4 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.676 0.451 11451 2837 1 4 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.253 -0.056 11451 2838 1 4 . 1 1 116 116 GLN H H 116 8.292 8.292 8.503 -0.211 11451 2839 1 4 . 1 1 117 117 GLY N N 117 109.729 109.729 108.255 1.474 11451 2840 1 4 . 1 1 117 117 GLY CA C 117 45.541 45.541 45.200 0.341 11451 2841 1 4 . 1 1 117 117 GLY H H 117 7.832 7.832 8.363 -0.531 11451 2842 1 4 . 1 1 118 118 TRP N N 118 123.807 123.807 123.667 0.140 11451 2843 1 4 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.875 -0.561 11451 2844 1 4 . 1 1 118 118 TRP CA C 118 62.294 62.294 53.721 8.573 11451 2845 1 4 . 1 1 118 118 TRP CB C 118 30.167 30.167 27.899 2.268 11451 2846 1 4 . 1 1 118 118 TRP H H 118 7.801 7.801 7.912 -0.111 11451 2847 1 4 . 1 1 119 119 GLY N N 119 124.815 124.815 112.337 12.478 11451 2848 1 4 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.145 0.174 11451 2849 1 4 . 1 1 119 119 GLY H H 119 7.438 7.438 8.692 -1.254 11451 2850 1 4 . 1 1 120 120 TYR N N 120 119.720 119.720 118.467 1.253 11451 2851 1 4 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.023 0.179 11451 2852 1 4 . 1 1 120 120 TYR CA C 120 57.319 57.319 56.928 0.391 11451 2853 1 4 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.115 -2.376 11451 2854 1 4 . 1 1 120 120 TYR H H 120 8.281 8.281 8.463 -0.182 11451 2855 1 4 . 1 1 121 121 CYS N N 121 126.117 126.117 122.748 3.369 11451 2856 1 4 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.651 -0.412 11451 2857 1 4 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.666 1.031 11451 2858 1 4 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.330 -0.320 11451 2859 1 4 . 1 1 121 121 CYS H H 121 9.818 9.818 9.109 0.709 11451 2860 1 4 . 1 1 122 122 VAL N N 122 106.168 106.168 130.481 -24.313 11451 2861 1 4 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.261 0.302 11451 2862 1 4 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.996 -0.346 11451 2863 1 4 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.700 0.779 11451 2864 1 4 . 1 1 122 122 VAL H H 122 9.382 9.382 8.902 0.480 11451 2865 1 4 . 1 1 123 123 PHE N N 123 118.398 118.398 124.009 -5.611 11451 2866 1 4 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.595 0.266 11451 2867 1 4 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.919 -2.979 11451 2868 1 4 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.394 2.246 11451 2869 1 4 . 1 1 123 123 PHE H H 123 7.842 7.842 7.935 -0.093 11451 2870 1 4 . 1 1 124 124 ALA N N 124 124.412 124.412 118.317 6.095 11451 2871 1 4 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.612 0.038 11451 2872 1 4 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.544 0.215 11451 2873 1 4 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.646 1.989 11451 2874 1 4 . 1 1 124 124 ALA H H 124 7.327 7.327 6.912 0.415 11451 2875 1 4 . 1 1 125 125 GLU N N 125 115.272 115.272 117.809 -2.537 11451 2876 1 4 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.673 0.098 11451 2877 1 4 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.175 0.476 11451 2878 1 4 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.544 -0.774 11451 2879 1 4 . 1 1 125 125 GLU H H 125 8.223 8.223 8.051 0.172 11451 2880 1 4 . 1 1 126 126 VAL N N 126 123.948 123.948 121.540 2.408 11451 2881 1 4 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.890 0.019 11451 2882 1 4 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.452 -0.187 11451 2883 1 4 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.457 -0.647 11451 2884 1 4 . 1 1 126 126 VAL H H 126 8.786 8.786 8.268 0.518 11451 2885 1 4 . 1 1 127 127 VAL N N 127 123.644 123.644 126.626 -2.982 11451 2886 1 4 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.183 0.167 11451 2887 1 4 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.092 -1.598 11451 2888 1 4 . 1 1 127 127 VAL CB C 127 32.482 32.482 33.091 -0.609 11451 2889 1 4 . 1 1 127 127 VAL H H 127 9.096 9.096 8.929 0.167 11451 2890 1 4 . 1 1 128 128 ASP N N 128 121.165 121.165 119.108 2.057 11451 2891 1 4 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.810 0.112 11451 2892 1 4 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.797 0.604 11451 2893 1 4 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.345 -1.296 11451 2894 1 4 . 1 1 128 128 ASP H H 128 7.719 7.719 7.658 0.061 11451 2895 1 4 . 1 1 129 129 GLY N N 129 110.821 110.821 108.191 2.630 11451 2896 1 4 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.559 0.202 11451 2897 1 4 . 1 1 129 129 GLY H H 129 8.276 8.276 8.931 -0.655 11451 2898 1 4 . 1 1 130 130 MET N N 130 122.991 122.991 120.134 2.857 11451 2899 1 4 . 1 1 130 130 MET HA H 130 4.468 4.468 4.170 0.298 11451 2900 1 4 . 1 1 130 130 MET CA C 130 55.953 55.953 57.932 -1.979 11451 2901 1 4 . 1 1 130 130 MET CB C 130 28.771 28.771 31.465 -2.694 11451 2902 1 4 . 1 1 130 130 MET H H 130 8.945 8.945 8.442 0.503 11451 2903 1 4 . 1 1 131 131 ASP N N 131 117.183 117.183 118.530 -1.347 11451 2904 1 4 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.444 -0.199 11451 2905 1 4 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.533 -0.894 11451 2906 1 4 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.291 -1.613 11451 2907 1 4 . 1 1 131 131 ASP H H 131 8.924 8.924 8.728 0.196 11451 2908 1 4 . 1 1 132 132 VAL N N 132 124.340 124.340 120.231 4.109 11451 2909 1 4 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.774 -0.335 11451 2910 1 4 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.796 0.219 11451 2911 1 4 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.797 -1.016 11451 2912 1 4 . 1 1 132 132 VAL H H 132 7.222 7.222 7.617 -0.395 11451 2913 1 4 . 1 1 133 133 VAL N N 133 121.730 121.730 120.511 1.219 11451 2914 1 4 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.443 -0.425 11451 2915 1 4 . 1 1 133 133 VAL CA C 133 67.076 67.076 67.105 -0.029 11451 2916 1 4 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.366 -0.546 11451 2917 1 4 . 1 1 133 133 VAL H H 133 7.367 7.367 8.022 -0.655 11451 2918 1 4 . 1 1 134 134 ASP N N 134 117.555 117.555 117.832 -0.277 11451 2919 1 4 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.294 -0.044 11451 2920 1 4 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.941 -0.678 11451 2921 1 4 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.021 -1.209 11451 2922 1 4 . 1 1 134 134 ASP H H 134 8.411 8.411 8.302 0.109 11451 2923 1 4 . 1 1 135 135 LYS N N 135 122.646 122.646 119.537 3.109 11451 2924 1 4 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.138 -0.137 11451 2925 1 4 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.141 0.767 11451 2926 1 4 . 1 1 135 135 LYS CB C 135 32.010 32.010 31.936 0.074 11451 2927 1 4 . 1 1 135 135 LYS H H 135 7.418 7.418 7.352 0.066 11451 2928 1 4 . 1 1 136 136 ILE N N 136 121.613 121.613 117.857 3.756 11451 2929 1 4 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.455 -0.393 11451 2930 1 4 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.648 0.659 11451 2931 1 4 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.870 -0.570 11451 2932 1 4 . 1 1 136 136 ILE H H 136 8.075 8.075 8.331 -0.256 11451 2933 1 4 . 1 1 137 137 LYS N N 137 113.499 113.499 115.103 -1.604 11451 2934 1 4 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.254 -0.510 11451 2935 1 4 . 1 1 137 137 LYS CA C 137 57.888 57.888 56.907 0.981 11451 2936 1 4 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.623 -1.268 11451 2937 1 4 . 1 1 137 137 LYS H H 137 7.976 7.976 7.424 0.552 11451 2938 1 4 . 1 1 138 138 GLY N N 138 104.829 104.829 107.332 -2.503 11451 2939 1 4 . 1 1 138 138 GLY CA C 138 44.181 44.181 44.996 -0.815 11451 2940 1 4 . 1 1 138 138 GLY H H 138 6.858 6.858 7.583 -0.725 11451 2941 1 4 . 1 1 139 139 VAL N N 139 116.189 116.189 117.881 -1.692 11451 2942 1 4 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.851 0.232 11451 2943 1 4 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.465 -2.721 11451 2944 1 4 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.893 0.957 11451 2945 1 4 . 1 1 139 139 VAL H H 139 7.220 7.220 7.778 -0.558 11451 2946 1 4 . 1 1 140 140 ALA N N 140 123.097 123.097 120.635 2.462 11451 2947 1 4 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.553 -0.271 11451 2948 1 4 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.256 0.594 11451 2949 1 4 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.071 -1.699 11451 2950 1 4 . 1 1 140 140 ALA H H 140 8.262 8.262 7.845 0.417 11451 2951 1 4 . 1 1 141 141 THR N N 141 113.326 113.326 113.239 0.087 11451 2952 1 4 . 1 1 141 141 THR HA H 141 4.925 4.925 4.540 0.385 11451 2953 1 4 . 1 1 141 141 THR CA C 141 59.382 59.382 60.449 -1.067 11451 2954 1 4 . 1 1 141 141 THR CB C 141 73.286 73.286 71.304 1.982 11451 2955 1 4 . 1 1 141 141 THR H H 141 8.278 8.278 7.982 0.296 11451 2956 1 4 . 1 1 142 142 GLY N N 142 107.299 107.299 109.178 -1.879 11451 2957 1 4 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.462 -0.290 11451 2958 1 4 . 1 1 142 142 GLY H H 142 8.484 8.484 8.078 0.406 11451 2959 1 4 . 1 1 143 143 ARG N N 143 120.230 120.230 121.582 -1.352 11451 2960 1 4 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.230 0.567 11451 2961 1 4 . 1 1 143 143 ARG CA C 143 55.200 55.200 57.089 -1.889 11451 2962 1 4 . 1 1 143 143 ARG CB C 143 31.351 31.351 31.101 0.250 11451 2963 1 4 . 1 1 143 143 ARG H H 143 8.185 8.185 8.497 -0.312 11451 2964 1 4 . 1 1 144 144 SER N N 144 119.429 119.429 119.866 -0.437 11451 2965 1 4 . 1 1 144 144 SER HA H 144 4.466 4.466 4.717 -0.251 11451 2966 1 4 . 1 1 144 144 SER CA C 144 56.856 56.856 57.500 -0.644 11451 2967 1 4 . 1 1 144 144 SER CB C 144 63.174 63.174 65.545 -2.371 11451 2968 1 4 . 1 1 144 144 SER H H 144 8.427 8.427 8.392 0.035 11451 2969 1 4 . 1 1 145 145 GLY N N 145 117.736 117.736 107.682 10.054 11451 2970 1 4 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.302 0.384 11451 2971 1 4 . 1 1 145 145 GLY H H 145 8.902 8.902 8.848 0.054 11451 2972 1 4 . 1 1 146 146 MET N N 146 125.723 125.723 118.049 7.674 11451 2973 1 4 . 1 1 146 146 MET HA H 146 4.315 4.315 4.572 -0.257 11451 2974 1 4 . 1 1 146 146 MET CA C 146 55.431 55.431 55.654 -0.223 11451 2975 1 4 . 1 1 146 146 MET H H 146 8.827 8.827 7.478 1.349 11451 2976 1 4 . 1 1 147 147 HIS N N 147 121.581 121.581 117.921 3.660 11451 2977 1 4 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.858 -0.434 11451 2978 1 4 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.417 0.658 11451 2979 1 4 . 1 1 147 147 HIS CB C 147 31.593 31.593 33.015 -1.422 11451 2980 1 4 . 1 1 147 147 HIS H H 147 8.010 8.010 8.123 -0.113 11451 2981 1 4 . 1 1 148 148 GLN N N 148 121.305 121.305 123.945 -2.640 11451 2982 1 4 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.533 -0.063 11451 2983 1 4 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.077 -0.613 11451 2984 1 4 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.755 0.936 11451 2985 1 4 . 1 1 148 148 GLN H H 148 8.681 8.681 8.650 0.031 11451 2986 1 4 . 1 1 149 149 ASP N N 149 117.085 117.085 118.412 -1.327 11451 2987 1 4 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.613 -0.134 11451 2988 1 4 . 1 1 149 149 ASP H H 149 8.635 8.635 8.857 -0.222 11451 2989 1 4 . 1 1 150 150 VAL N N 150 120.313 120.313 111.940 8.373 11451 2990 1 4 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.669 -0.290 11451 2991 1 4 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.253 0.915 11451 2992 1 4 . 1 1 150 150 VAL CB C 150 33.080 33.080 33.420 -0.340 11451 2993 1 4 . 1 1 150 150 VAL H H 150 8.470 8.470 7.604 0.866 11451 2994 1 4 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.705 -0.291 11451 2995 1 4 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.384 1.552 11451 2996 1 4 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.376 -0.200 11451 2997 1 4 . 1 1 152 152 LYS N N 152 125.675 125.675 121.357 4.318 11451 2998 1 4 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.209 -0.338 11451 2999 1 4 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.320 1.281 11451 3000 1 4 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.855 -1.070 11451 3001 1 4 . 1 1 152 152 LYS H H 152 8.169 8.169 8.103 0.066 11451 3002 1 4 . 1 1 153 153 GLU N N 153 119.081 119.081 121.036 -1.955 11451 3003 1 4 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.360 0.035 11451 3004 1 4 . 1 1 153 153 GLU CA C 153 54.216 54.216 56.046 -1.830 11451 3005 1 4 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.448 0.290 11451 3006 1 4 . 1 1 153 153 GLU H H 153 7.960 7.960 8.255 -0.295 11451 3007 1 4 . 1 1 154 154 ASP N N 154 121.884 121.884 121.011 0.873 11451 3008 1 4 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.619 -0.387 11451 3009 1 4 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.934 2.166 11451 3010 1 4 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.481 -0.941 11451 3011 1 4 . 1 1 154 154 ASP H H 154 8.149 8.149 8.565 -0.416 11451 3012 1 4 . 1 1 155 155 VAL N N 155 129.777 129.777 125.595 4.182 11451 3013 1 4 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.813 -0.374 11451 3014 1 4 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.809 0.502 11451 3015 1 4 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.352 -0.883 11451 3016 1 4 . 1 1 155 155 VAL H H 155 10.043 10.043 8.927 1.116 11451 3017 1 4 . 1 1 156 156 ILE N N 156 125.807 125.807 123.315 2.492 11451 3018 1 4 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.148 -0.736 11451 3019 1 4 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.636 2.049 11451 3020 1 4 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.436 0.478 11451 3021 1 4 . 1 1 156 156 ILE H H 156 8.252 8.252 9.491 -1.239 11451 3022 1 4 . 1 1 157 157 ILE N N 157 126.581 126.581 126.316 0.265 11451 3023 1 4 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.307 -0.628 11451 3024 1 4 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.924 0.581 11451 3025 1 4 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.560 -0.188 11451 3026 1 4 . 1 1 157 157 ILE H H 157 9.168 9.168 9.055 0.113 11451 3027 1 4 . 1 1 158 158 GLU N N 158 130.185 130.185 127.992 2.193 11451 3028 1 4 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.250 -0.210 11451 3029 1 4 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.631 0.275 11451 3030 1 4 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.726 -0.728 11451 3031 1 4 . 1 1 158 158 GLU H H 158 8.910 8.910 8.791 0.119 11451 3032 1 4 . 1 1 159 159 SER N N 159 108.037 108.037 111.321 -3.284 11451 3033 1 4 . 1 1 159 159 SER HA H 159 4.399 4.399 4.645 -0.246 11451 3034 1 4 . 1 1 159 159 SER CA C 159 57.505 57.505 57.764 -0.259 11451 3035 1 4 . 1 1 159 159 SER CB C 159 64.403 64.403 64.630 -0.227 11451 3036 1 4 . 1 1 159 159 SER H H 159 7.772 7.772 8.010 -0.238 11451 3037 1 4 . 1 1 160 160 VAL N N 160 119.790 119.790 120.960 -1.170 11451 3038 1 4 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.401 -0.226 11451 3039 1 4 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.012 -0.447 11451 3040 1 4 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.836 -0.821 11451 3041 1 4 . 1 1 160 160 VAL H H 160 7.681 7.681 8.591 -0.910 11451 3042 1 4 . 1 1 161 161 THR N N 161 122.628 122.628 122.635 -0.007 11451 3043 1 4 . 1 1 161 161 THR HA H 161 4.662 4.662 4.745 -0.083 11451 3044 1 4 . 1 1 161 161 THR CA C 161 61.452 61.452 61.225 0.227 11451 3045 1 4 . 1 1 161 161 THR CB C 161 70.781 70.781 71.859 -1.077 11451 3046 1 4 . 1 1 161 161 THR H H 161 8.817 8.817 9.407 -0.590 11451 3047 1 4 . 1 1 162 162 VAL N N 162 129.304 129.304 127.111 2.193 11451 3048 1 4 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.445 0.042 11451 3049 1 4 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.565 -0.808 11451 3050 1 4 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.052 0.430 11451 3051 1 4 . 1 1 162 162 VAL H H 162 9.075 9.075 8.629 0.446 11451 3052 1 4 . 1 1 163 163 SER N N 163 123.979 123.979 123.870 0.109 11451 3053 1 4 . 1 1 163 163 SER HA H 163 4.601 4.601 4.724 -0.123 11451 3054 1 4 . 1 1 163 163 SER CA C 163 57.521 57.521 57.097 0.423 11451 3055 1 4 . 1 1 163 163 SER CB C 163 64.409 64.409 64.412 -0.003 11451 3056 1 4 . 1 1 163 163 SER H H 163 8.727 8.727 8.810 -0.083 11451 3057 1 5 . 1 1 2 2 VAL N N 2 123.776 123.776 123.450 0.326 11451 3058 1 5 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.794 -0.019 11451 3059 1 5 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.295 0.729 11451 3060 1 5 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.713 0.418 11451 3061 1 5 . 1 1 2 2 VAL H H 2 8.961 8.961 8.994 -0.033 11451 3062 1 5 . 1 1 3 3 THR N N 3 121.749 121.749 123.647 -1.898 11451 3063 1 5 . 1 1 3 3 THR HA H 3 5.053 5.053 4.864 0.189 11451 3064 1 5 . 1 1 3 3 THR CA C 3 61.176 61.176 61.603 -0.427 11451 3065 1 5 . 1 1 3 3 THR CB C 3 70.356 70.356 69.641 0.715 11451 3066 1 5 . 1 1 3 3 THR H H 3 8.912 8.912 9.020 -0.108 11451 3067 1 5 . 1 1 4 4 PHE N N 4 125.726 125.726 126.454 -0.728 11451 3068 1 5 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.891 -0.096 11451 3069 1 5 . 1 1 4 4 PHE CA C 4 54.011 54.011 54.931 -0.920 11451 3070 1 5 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.746 -1.025 11451 3071 1 5 . 1 1 4 4 PHE H H 4 9.442 9.442 9.130 0.312 11451 3072 1 5 . 1 1 5 5 HIS N N 5 125.337 125.337 124.874 0.463 11451 3073 1 5 . 1 1 5 5 HIS HA H 5 5.349 5.349 4.922 0.427 11451 3074 1 5 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.645 -1.337 11451 3075 1 5 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.678 -4.161 11451 3076 1 5 . 1 1 5 5 HIS H H 5 8.897 8.897 9.232 -0.335 11451 3077 1 5 . 1 1 6 6 THR N N 6 115.752 115.752 116.394 -0.642 11451 3078 1 5 . 1 1 6 6 THR HA H 6 6.126 6.126 4.891 1.235 11451 3079 1 5 . 1 1 6 6 THR CA C 6 60.220 60.220 59.081 1.139 11451 3080 1 5 . 1 1 6 6 THR CB C 6 72.515 72.515 71.367 1.148 11451 3081 1 5 . 1 1 6 6 THR H H 6 7.881 7.881 8.249 -0.368 11451 3082 1 5 . 1 1 7 7 ASN N N 7 119.451 119.451 119.975 -0.524 11451 3083 1 5 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.585 -0.010 11451 3084 1 5 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.445 0.048 11451 3085 1 5 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.459 -3.125 11451 3086 1 5 . 1 1 7 7 ASN H H 7 9.334 9.334 8.695 0.639 11451 3087 1 5 . 1 1 8 8 HIS N N 8 118.490 118.490 115.988 2.502 11451 3088 1 5 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.840 -0.349 11451 3089 1 5 . 1 1 8 8 HIS CA C 8 56.790 56.790 55.654 1.136 11451 3090 1 5 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.405 1.229 11451 3091 1 5 . 1 1 8 8 HIS H H 8 8.663 8.663 7.273 1.390 11451 3092 1 5 . 1 1 9 9 GLY N N 9 108.550 108.550 108.440 0.110 11451 3093 1 5 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.736 -1.136 11451 3094 1 5 . 1 1 9 9 GLY H H 9 7.320 7.320 7.648 -0.328 11451 3095 1 5 . 1 1 10 10 ASP N N 10 123.900 123.900 122.543 1.357 11451 3096 1 5 . 1 1 10 10 ASP HA H 10 5.620 5.620 4.804 0.816 11451 3097 1 5 . 1 1 10 10 ASP CA C 10 54.310 54.310 55.223 -0.913 11451 3098 1 5 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.376 0.124 11451 3099 1 5 . 1 1 10 10 ASP H H 10 8.857 8.857 8.398 0.459 11451 3100 1 5 . 1 1 11 11 ILE N N 11 121.150 121.150 123.754 -2.604 11451 3101 1 5 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.642 -0.306 11451 3102 1 5 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.133 1.143 11451 3103 1 5 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.277 -0.618 11451 3104 1 5 . 1 1 11 11 ILE H H 11 8.638 8.638 8.635 0.003 11451 3105 1 5 . 1 1 12 12 VAL N N 12 129.487 129.487 124.546 4.941 11451 3106 1 5 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.877 -0.346 11451 3107 1 5 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.620 1.690 11451 3108 1 5 . 1 1 12 12 VAL CB C 12 32.242 32.242 35.069 -2.827 11451 3109 1 5 . 1 1 12 12 VAL H H 12 8.771 8.771 8.774 -0.003 11451 3110 1 5 . 1 1 13 13 ILE N N 13 127.702 127.702 125.552 2.150 11451 3111 1 5 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.801 -0.131 11451 3112 1 5 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.681 0.057 11451 3113 1 5 . 1 1 13 13 ILE CB C 13 41.559 41.559 42.002 -0.443 11451 3114 1 5 . 1 1 13 13 ILE H H 13 9.527 9.527 9.145 0.382 11451 3115 1 5 . 1 1 14 14 LYS N N 14 126.574 126.574 126.618 -0.044 11451 3116 1 5 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.637 0.140 11451 3117 1 5 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.547 -0.704 11451 3118 1 5 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.202 0.298 11451 3119 1 5 . 1 1 14 14 LYS H H 14 8.684 8.684 8.730 -0.046 11451 3120 1 5 . 1 1 15 15 THR N N 15 113.811 113.811 117.824 -4.013 11451 3121 1 5 . 1 1 15 15 THR HA H 15 4.130 4.130 4.289 -0.159 11451 3122 1 5 . 1 1 15 15 THR CA C 15 59.806 59.806 60.775 -0.969 11451 3123 1 5 . 1 1 15 15 THR CB C 15 69.319 69.319 69.688 -0.369 11451 3124 1 5 . 1 1 15 15 THR H H 15 8.343 8.343 8.408 -0.065 11451 3125 1 5 . 1 1 16 16 PHE N N 16 122.611 122.611 124.392 -1.781 11451 3126 1 5 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.761 0.514 11451 3127 1 5 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.665 -1.375 11451 3128 1 5 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.865 -0.496 11451 3129 1 5 . 1 1 16 16 PHE H H 16 8.315 8.315 8.932 -0.617 11451 3130 1 5 . 1 1 17 17 ASP N N 17 120.182 120.182 122.988 -2.806 11451 3131 1 5 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.583 -0.821 11451 3132 1 5 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.528 0.430 11451 3133 1 5 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.997 -2.048 11451 3134 1 5 . 1 1 17 17 ASP H H 17 9.106 9.106 8.188 0.918 11451 3135 1 5 . 1 1 18 18 ASP N N 18 111.686 111.686 119.030 -7.344 11451 3136 1 5 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.518 -0.143 11451 3137 1 5 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.363 -1.340 11451 3138 1 5 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.631 -0.868 11451 3139 1 5 . 1 1 18 18 ASP H H 18 8.584 8.584 8.652 -0.068 11451 3140 1 5 . 1 1 19 19 LYS N N 19 118.003 118.003 116.870 1.133 11451 3141 1 5 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.387 0.049 11451 3142 1 5 . 1 1 19 19 LYS CA C 19 55.387 55.387 56.293 -0.906 11451 3143 1 5 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.698 0.169 11451 3144 1 5 . 1 1 19 19 LYS H H 19 7.333 7.333 7.568 -0.235 11451 3145 1 5 . 1 1 20 20 ALA N N 20 123.657 123.657 121.570 2.087 11451 3146 1 5 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.045 -0.427 11451 3147 1 5 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.775 -0.658 11451 3148 1 5 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.913 -0.678 11451 3149 1 5 . 1 1 20 20 ALA H H 20 7.560 7.560 8.234 -0.674 11451 3150 1 5 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.301 0.123 11451 3151 1 5 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.613 0.664 11451 3152 1 5 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.808 -0.300 11451 3153 1 5 . 1 1 22 22 GLU N N 22 122.557 122.557 118.752 3.805 11451 3154 1 5 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.150 -0.138 11451 3155 1 5 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.170 0.454 11451 3156 1 5 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.791 -0.312 11451 3157 1 5 . 1 1 22 22 GLU H H 22 9.855 9.855 8.231 1.624 11451 3158 1 5 . 1 1 23 23 THR N N 23 122.201 122.201 117.937 4.264 11451 3159 1 5 . 1 1 23 23 THR HA H 23 3.584 3.584 4.080 -0.496 11451 3160 1 5 . 1 1 23 23 THR CA C 23 66.554 66.554 67.198 -0.644 11451 3161 1 5 . 1 1 23 23 THR CB C 23 67.614 67.614 68.559 -0.945 11451 3162 1 5 . 1 1 23 23 THR H H 23 9.390 9.390 8.841 0.549 11451 3163 1 5 . 1 1 24 24 VAL N N 24 125.111 125.111 121.110 4.001 11451 3164 1 5 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.815 -0.330 11451 3165 1 5 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.679 1.628 11451 3166 1 5 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.100 -0.211 11451 3167 1 5 . 1 1 24 24 VAL H H 24 9.359 9.359 8.608 0.751 11451 3168 1 5 . 1 1 25 25 LYS N N 25 121.050 121.050 120.709 0.341 11451 3169 1 5 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.985 -0.117 11451 3170 1 5 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.448 0.791 11451 3171 1 5 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.982 -0.285 11451 3172 1 5 . 1 1 25 25 LYS H H 25 7.686 7.686 8.519 -0.833 11451 3173 1 5 . 1 1 26 26 ASN N N 26 116.337 116.337 117.679 -1.342 11451 3174 1 5 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.470 -0.414 11451 3175 1 5 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.040 0.519 11451 3176 1 5 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.481 2.211 11451 3177 1 5 . 1 1 26 26 ASN H H 26 7.535 7.535 8.019 -0.484 11451 3178 1 5 . 1 1 27 27 PHE N N 27 119.858 119.858 121.889 -2.031 11451 3179 1 5 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.440 0.099 11451 3180 1 5 . 1 1 27 27 PHE CA C 27 60.933 60.933 60.778 0.155 11451 3181 1 5 . 1 1 27 27 PHE CB C 27 39.831 39.831 38.940 0.891 11451 3182 1 5 . 1 1 27 27 PHE H H 27 7.867 7.867 8.330 -0.463 11451 3183 1 5 . 1 1 28 28 LEU N N 28 120.761 120.761 119.687 1.074 11451 3184 1 5 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.611 0.132 11451 3185 1 5 . 1 1 28 28 LEU CA C 28 57.868 57.868 57.847 0.021 11451 3186 1 5 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.220 0.034 11451 3187 1 5 . 1 1 28 28 LEU H H 28 9.377 9.377 8.582 0.795 11451 3188 1 5 . 1 1 29 29 ASP N N 29 121.607 121.607 119.343 2.264 11451 3189 1 5 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.285 0.010 11451 3190 1 5 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.649 0.180 11451 3191 1 5 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.352 -1.326 11451 3192 1 5 . 1 1 29 29 ASP H H 29 8.374 8.374 8.600 -0.226 11451 3193 1 5 . 1 1 30 30 TYR N N 30 118.959 118.959 119.390 -0.431 11451 3194 1 5 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.372 -0.367 11451 3195 1 5 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.714 0.033 11451 3196 1 5 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.472 -0.733 11451 3197 1 5 . 1 1 30 30 TYR H H 30 7.287 7.287 7.524 -0.237 11451 3198 1 5 . 1 1 31 31 CYS N N 31 116.202 116.202 117.928 -1.726 11451 3199 1 5 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.203 -0.169 11451 3200 1 5 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.835 0.568 11451 3201 1 5 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.063 0.158 11451 3202 1 5 . 1 1 31 31 CYS H H 31 8.336 8.336 8.272 0.064 11451 3203 1 5 . 1 1 32 32 ARG N N 32 121.949 121.949 120.453 1.496 11451 3204 1 5 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.108 -0.246 11451 3205 1 5 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.620 1.099 11451 3206 1 5 . 1 1 32 32 ARG CB C 32 30.374 30.374 29.910 0.464 11451 3207 1 5 . 1 1 32 32 ARG H H 32 9.077 9.077 8.226 0.851 11451 3208 1 5 . 1 1 33 33 GLU N N 33 116.667 116.667 116.960 -0.293 11451 3209 1 5 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.335 -0.148 11451 3210 1 5 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.516 -0.068 11451 3211 1 5 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.447 -0.189 11451 3212 1 5 . 1 1 33 33 GLU H H 33 7.920 7.920 7.866 0.054 11451 3213 1 5 . 1 1 34 34 GLY N N 34 107.273 107.273 106.622 0.651 11451 3214 1 5 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.304 0.094 11451 3215 1 5 . 1 1 34 34 GLY H H 34 7.533 7.533 7.570 -0.037 11451 3216 1 5 . 1 1 35 35 PHE N N 35 122.134 122.134 121.407 0.727 11451 3217 1 5 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.260 -0.595 11451 3218 1 5 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.426 2.179 11451 3219 1 5 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.538 0.532 11451 3220 1 5 . 1 1 35 35 PHE H H 35 8.129 8.129 8.494 -0.365 11451 3221 1 5 . 1 1 36 36 TYR N N 36 111.250 111.250 115.842 -4.592 11451 3222 1 5 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.359 -0.035 11451 3223 1 5 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.499 -0.821 11451 3224 1 5 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.551 -1.091 11451 3225 1 5 . 1 1 36 36 TYR H H 36 7.355 7.355 8.455 -1.100 11451 3226 1 5 . 1 1 37 37 ASN N N 37 121.890 121.890 119.609 2.281 11451 3227 1 5 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.617 -0.792 11451 3228 1 5 . 1 1 37 37 ASN CA C 37 54.179 54.179 53.972 0.207 11451 3229 1 5 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.312 -2.457 11451 3230 1 5 . 1 1 37 37 ASN H H 37 7.106 7.106 7.711 -0.605 11451 3231 1 5 . 1 1 38 38 ASN N N 38 121.572 121.572 119.691 1.881 11451 3232 1 5 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.405 -0.357 11451 3233 1 5 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.466 0.254 11451 3234 1 5 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.623 0.915 11451 3235 1 5 . 1 1 38 38 ASN H H 38 9.235 9.235 8.774 0.461 11451 3236 1 5 . 1 1 39 39 THR N N 39 104.540 104.540 107.928 -3.388 11451 3237 1 5 . 1 1 39 39 THR HA H 39 5.006 5.006 5.312 -0.306 11451 3238 1 5 . 1 1 39 39 THR CA C 39 59.979 59.979 60.041 -0.062 11451 3239 1 5 . 1 1 39 39 THR CB C 39 72.789 72.789 71.132 1.657 11451 3240 1 5 . 1 1 39 39 THR H H 39 7.328 7.328 7.388 -0.060 11451 3241 1 5 . 1 1 40 40 ILE N N 40 108.904 108.904 115.454 -6.550 11451 3242 1 5 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.324 0.345 11451 3243 1 5 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.396 0.404 11451 3244 1 5 . 1 1 40 40 ILE CB C 40 39.724 39.724 42.114 -2.390 11451 3245 1 5 . 1 1 40 40 ILE H H 40 7.943 7.943 8.425 -0.482 11451 3246 1 5 . 1 1 41 41 PHE N N 41 122.068 122.068 121.311 0.757 11451 3247 1 5 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.781 0.179 11451 3248 1 5 . 1 1 41 41 PHE CA C 41 58.817 58.817 58.146 0.671 11451 3249 1 5 . 1 1 41 41 PHE CB C 41 37.410 37.410 39.232 -1.822 11451 3250 1 5 . 1 1 41 41 PHE H H 41 8.289 8.289 8.743 -0.454 11451 3251 1 5 . 1 1 42 42 HIS N N 42 121.477 121.477 119.568 1.909 11451 3252 1 5 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.786 -0.510 11451 3253 1 5 . 1 1 42 42 HIS CA C 42 56.598 56.598 55.234 1.364 11451 3254 1 5 . 1 1 42 42 HIS CB C 42 31.663 31.663 31.382 0.281 11451 3255 1 5 . 1 1 42 42 HIS H H 42 7.862 7.862 8.292 -0.430 11451 3256 1 5 . 1 1 43 43 ARG N N 43 123.403 123.403 119.735 3.668 11451 3257 1 5 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.593 0.023 11451 3258 1 5 . 1 1 43 43 ARG CA C 43 55.318 55.318 55.087 0.231 11451 3259 1 5 . 1 1 43 43 ARG CB C 43 32.275 32.275 32.880 -0.605 11451 3260 1 5 . 1 1 43 43 ARG H H 43 6.933 6.933 7.125 -0.192 11451 3261 1 5 . 1 1 44 44 VAL N N 44 129.359 129.359 125.195 4.164 11451 3262 1 5 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.842 -0.702 11451 3263 1 5 . 1 1 44 44 VAL CA C 44 62.374 62.374 60.648 1.726 11451 3264 1 5 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.714 -0.523 11451 3265 1 5 . 1 1 44 44 VAL H H 44 9.023 9.023 8.520 0.503 11451 3266 1 5 . 1 1 45 45 ILE N N 45 126.532 126.532 125.072 1.460 11451 3267 1 5 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.455 -0.219 11451 3268 1 5 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.821 0.643 11451 3269 1 5 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.286 -2.336 11451 3270 1 5 . 1 1 45 45 ILE H H 45 8.243 8.243 8.136 0.107 11451 3271 1 5 . 1 1 46 46 ASN N N 46 128.015 128.015 126.956 1.059 11451 3272 1 5 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.580 -0.419 11451 3273 1 5 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.281 0.060 11451 3274 1 5 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.551 -1.877 11451 3275 1 5 . 1 1 46 46 ASN H H 46 9.127 9.127 8.880 0.247 11451 3276 1 5 . 1 1 47 47 GLY N N 47 110.314 110.314 107.270 3.044 11451 3277 1 5 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.521 0.109 11451 3278 1 5 . 1 1 47 47 GLY H H 47 7.542 7.542 8.864 -1.322 11451 3279 1 5 . 1 1 48 48 PHE N N 48 116.701 116.701 118.836 -2.135 11451 3280 1 5 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.843 0.299 11451 3281 1 5 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.071 1.429 11451 3282 1 5 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.115 -2.787 11451 3283 1 5 . 1 1 48 48 PHE H H 48 7.800 7.800 7.698 0.102 11451 3284 1 5 . 1 1 49 49 MET N N 49 117.710 117.710 117.727 -0.017 11451 3285 1 5 . 1 1 49 49 MET HA H 49 5.027 5.027 4.562 0.465 11451 3286 1 5 . 1 1 49 49 MET CA C 49 55.009 55.009 53.379 1.630 11451 3287 1 5 . 1 1 49 49 MET CB C 49 35.120 35.120 33.155 1.965 11451 3288 1 5 . 1 1 49 49 MET H H 49 8.363 8.363 7.107 1.256 11451 3289 1 5 . 1 1 50 50 ILE N N 50 110.774 110.774 113.061 -2.287 11451 3290 1 5 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.988 -0.121 11451 3291 1 5 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.123 0.612 11451 3292 1 5 . 1 1 50 50 ILE CB C 50 40.261 40.261 41.276 -1.015 11451 3293 1 5 . 1 1 50 50 ILE H H 50 7.749 7.749 7.619 0.130 11451 3294 1 5 . 1 1 51 51 GLN N N 51 127.997 127.997 123.977 4.020 11451 3295 1 5 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.930 0.271 11451 3296 1 5 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.706 0.346 11451 3297 1 5 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.855 -1.171 11451 3298 1 5 . 1 1 51 51 GLN H H 51 9.198 9.198 8.320 0.878 11451 3299 1 5 . 1 1 52 52 GLY N N 52 111.413 111.413 107.625 3.788 11451 3300 1 5 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.021 1.272 11451 3301 1 5 . 1 1 52 52 GLY H H 52 8.037 8.037 8.391 -0.354 11451 3302 1 5 . 1 1 53 53 GLY N N 53 106.177 106.177 106.735 -0.558 11451 3303 1 5 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.544 -0.467 11451 3304 1 5 . 1 1 53 53 GLY H H 53 8.334 8.334 8.182 0.152 11451 3305 1 5 . 1 1 54 54 GLY N N 54 129.939 129.939 106.934 23.005 11451 3306 1 5 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.367 0.045 11451 3307 1 5 . 1 1 54 54 GLY H H 54 9.068 9.068 8.142 0.926 11451 3308 1 5 . 1 1 55 55 PHE N N 55 121.195 121.195 116.717 4.478 11451 3309 1 5 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.876 0.011 11451 3310 1 5 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.414 0.284 11451 3311 1 5 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.690 -0.844 11451 3312 1 5 . 1 1 55 55 PHE H H 55 9.329 9.329 7.273 2.056 11451 3313 1 5 . 1 1 56 56 GLU N N 56 120.126 120.126 119.606 0.520 11451 3314 1 5 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.133 -0.285 11451 3315 1 5 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.221 0.978 11451 3316 1 5 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.477 -1.025 11451 3317 1 5 . 1 1 56 56 GLU H H 56 8.531 8.531 8.159 0.372 11451 3318 1 5 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.319 -0.329 11451 3319 1 5 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.619 0.244 11451 3320 1 5 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.633 -0.765 11451 3321 1 5 . 1 1 58 58 GLY N N 58 113.477 113.477 104.501 8.976 11451 3322 1 5 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.130 0.236 11451 3323 1 5 . 1 1 58 58 GLY H H 58 9.454 9.454 8.004 1.450 11451 3324 1 5 . 1 1 59 59 MET N N 59 114.007 114.007 116.151 -2.144 11451 3325 1 5 . 1 1 59 59 MET HA H 59 3.946 3.946 3.805 0.141 11451 3326 1 5 . 1 1 59 59 MET CA C 59 54.650 54.650 55.930 -1.280 11451 3327 1 5 . 1 1 59 59 MET CB C 59 25.875 25.875 29.032 -3.157 11451 3328 1 5 . 1 1 59 59 MET H H 59 8.027 8.027 7.759 0.268 11451 3329 1 5 . 1 1 60 60 LYS N N 60 120.420 120.420 120.603 -0.183 11451 3330 1 5 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.386 0.080 11451 3331 1 5 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.908 -0.950 11451 3332 1 5 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.697 -0.387 11451 3333 1 5 . 1 1 60 60 LYS H H 60 6.996 6.996 7.636 -0.640 11451 3334 1 5 . 1 1 61 61 GLN N N 61 130.250 130.250 126.553 3.697 11451 3335 1 5 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.205 -0.819 11451 3336 1 5 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.246 0.533 11451 3337 1 5 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.597 -1.156 11451 3338 1 5 . 1 1 61 61 GLN H H 61 8.965 8.965 8.723 0.242 11451 3339 1 5 . 1 1 62 62 LYS N N 62 126.196 126.196 125.076 1.120 11451 3340 1 5 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.253 -0.123 11451 3341 1 5 . 1 1 62 62 LYS CA C 62 56.690 56.690 56.112 0.578 11451 3342 1 5 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.469 0.303 11451 3343 1 5 . 1 1 62 62 LYS H H 62 7.323 7.323 8.108 -0.785 11451 3344 1 5 . 1 1 63 63 ALA N N 63 127.588 127.588 125.599 1.989 11451 3345 1 5 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.473 -0.189 11451 3346 1 5 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.551 1.094 11451 3347 1 5 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.196 1.177 11451 3348 1 5 . 1 1 63 63 ALA H H 63 8.458 8.458 8.832 -0.374 11451 3349 1 5 . 1 1 64 64 THR N N 64 111.370 111.370 114.738 -3.368 11451 3350 1 5 . 1 1 64 64 THR HA H 64 4.550 4.550 4.274 0.276 11451 3351 1 5 . 1 1 64 64 THR CA C 64 60.554 60.554 62.657 -2.103 11451 3352 1 5 . 1 1 64 64 THR CB C 64 71.700 71.700 69.085 2.614 11451 3353 1 5 . 1 1 64 64 THR H H 64 8.122 8.122 7.860 0.262 11451 3354 1 5 . 1 1 65 65 LYS N N 65 118.451 118.451 126.373 -7.922 11451 3355 1 5 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.561 -0.142 11451 3356 1 5 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.029 0.317 11451 3357 1 5 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.402 -2.920 11451 3358 1 5 . 1 1 65 65 LYS H H 65 7.879 7.879 8.280 -0.401 11451 3359 1 5 . 1 1 66 66 GLU N N 66 118.805 118.805 119.492 -0.687 11451 3360 1 5 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.118 0.039 11451 3361 1 5 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.308 -0.426 11451 3362 1 5 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.085 0.265 11451 3363 1 5 . 1 1 66 66 GLU H H 66 7.872 7.872 8.660 -0.788 11451 3364 1 5 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.526 0.328 11451 3365 1 5 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.219 -1.064 11451 3366 1 5 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.203 0.487 11451 3367 1 5 . 1 1 68 68 ILE N N 68 112.686 112.686 123.652 -10.966 11451 3368 1 5 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.426 0.011 11451 3369 1 5 . 1 1 68 68 ILE CA C 68 58.971 58.971 60.087 -1.116 11451 3370 1 5 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.012 1.513 11451 3371 1 5 . 1 1 68 68 ILE H H 68 8.235 8.235 8.841 -0.606 11451 3372 1 5 . 1 1 69 69 LYS N N 69 121.199 121.199 123.091 -1.892 11451 3373 1 5 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.626 -0.685 11451 3374 1 5 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.332 -0.272 11451 3375 1 5 . 1 1 69 69 LYS CB C 69 32.140 32.140 33.029 -0.889 11451 3376 1 5 . 1 1 69 69 LYS H H 69 7.849 7.849 8.437 -0.588 11451 3377 1 5 . 1 1 70 70 ASN N N 70 126.585 126.585 120.872 5.713 11451 3378 1 5 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.866 -0.644 11451 3379 1 5 . 1 1 70 70 ASN CA C 70 53.328 53.328 52.663 0.665 11451 3380 1 5 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.721 -1.585 11451 3381 1 5 . 1 1 70 70 ASN H H 70 10.816 10.816 9.201 1.615 11451 3382 1 5 . 1 1 71 71 GLU N N 71 126.223 126.223 125.537 0.686 11451 3383 1 5 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.416 0.237 11451 3384 1 5 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.595 -0.998 11451 3385 1 5 . 1 1 71 71 GLU CB C 71 29.780 29.780 28.770 1.010 11451 3386 1 5 . 1 1 71 71 GLU H H 71 8.202 8.202 8.633 -0.431 11451 3387 1 5 . 1 1 72 72 ALA N N 72 120.736 120.736 123.308 -2.572 11451 3388 1 5 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.134 0.098 11451 3389 1 5 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.688 0.432 11451 3390 1 5 . 1 1 72 72 ALA CB C 72 18.506 18.506 18.751 -0.245 11451 3391 1 5 . 1 1 72 72 ALA H H 72 9.149 9.149 7.838 1.311 11451 3392 1 5 . 1 1 73 73 ASN N N 73 114.744 114.744 115.931 -1.187 11451 3393 1 5 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.747 0.434 11451 3394 1 5 . 1 1 73 73 ASN CA C 73 52.331 52.331 54.148 -1.817 11451 3395 1 5 . 1 1 73 73 ASN CB C 73 34.676 34.676 37.645 -2.969 11451 3396 1 5 . 1 1 73 73 ASN H H 73 7.892 7.892 8.133 -0.241 11451 3397 1 5 . 1 1 74 74 ASN N N 74 119.796 119.796 116.913 2.883 11451 3398 1 5 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.573 -0.194 11451 3399 1 5 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.724 -0.957 11451 3400 1 5 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.772 -0.357 11451 3401 1 5 . 1 1 74 74 ASN H H 74 8.408 8.408 7.318 1.090 11451 3402 1 5 . 1 1 75 75 GLY N N 75 108.891 108.891 107.271 1.620 11451 3403 1 5 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.319 0.308 11451 3404 1 5 . 1 1 75 75 GLY H H 75 7.971 7.971 7.559 0.412 11451 3405 1 5 . 1 1 76 76 LEU N N 76 120.602 120.602 120.401 0.201 11451 3406 1 5 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.382 -0.071 11451 3407 1 5 . 1 1 76 76 LEU CA C 76 54.599 54.599 55.392 -0.793 11451 3408 1 5 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.904 -1.816 11451 3409 1 5 . 1 1 76 76 LEU H H 76 7.734 7.734 7.519 0.215 11451 3410 1 5 . 1 1 77 77 LYS N N 77 121.982 121.982 121.369 0.613 11451 3411 1 5 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.897 -0.447 11451 3412 1 5 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.867 0.134 11451 3413 1 5 . 1 1 77 77 LYS CB C 77 34.700 34.700 36.103 -1.403 11451 3414 1 5 . 1 1 77 77 LYS H H 77 8.161 8.161 8.291 -0.130 11451 3415 1 5 . 1 1 78 78 ASN N N 78 124.764 124.764 121.822 2.942 11451 3416 1 5 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.155 -0.488 11451 3417 1 5 . 1 1 78 78 ASN CA C 78 54.314 54.314 52.630 1.683 11451 3418 1 5 . 1 1 78 78 ASN CB C 78 37.130 37.130 40.742 -3.612 11451 3419 1 5 . 1 1 78 78 ASN H H 78 9.564 9.564 9.282 0.282 11451 3420 1 5 . 1 1 79 79 THR N N 79 114.955 114.955 114.161 0.794 11451 3421 1 5 . 1 1 79 79 THR HA H 79 4.263 4.263 4.850 -0.587 11451 3422 1 5 . 1 1 79 79 THR CA C 79 60.774 60.774 60.351 0.423 11451 3423 1 5 . 1 1 79 79 THR CB C 79 70.347 70.347 71.820 -1.473 11451 3424 1 5 . 1 1 79 79 THR H H 79 8.190 8.190 8.479 -0.289 11451 3425 1 5 . 1 1 80 80 ARG N N 80 124.080 124.080 121.534 2.546 11451 3426 1 5 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.059 -0.856 11451 3427 1 5 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.209 1.278 11451 3428 1 5 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.454 -0.545 11451 3429 1 5 . 1 1 80 80 ARG H H 80 9.203 9.203 9.264 -0.061 11451 3430 1 5 . 1 1 81 81 GLY N N 81 115.741 115.741 113.737 2.004 11451 3431 1 5 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.424 -0.353 11451 3432 1 5 . 1 1 81 81 GLY H H 81 8.976 8.976 9.246 -0.270 11451 3433 1 5 . 1 1 82 82 THR N N 82 110.362 110.362 111.253 -0.891 11451 3434 1 5 . 1 1 82 82 THR HA H 82 4.623 4.623 4.618 0.005 11451 3435 1 5 . 1 1 82 82 THR CA C 82 61.694 61.694 59.825 1.869 11451 3436 1 5 . 1 1 82 82 THR CB C 82 72.230 72.230 71.531 0.699 11451 3437 1 5 . 1 1 82 82 THR H H 82 8.070 8.070 7.611 0.459 11451 3438 1 5 . 1 1 83 83 LEU N N 83 121.341 121.341 123.062 -1.721 11451 3439 1 5 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.361 -0.142 11451 3440 1 5 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.952 0.398 11451 3441 1 5 . 1 1 83 83 LEU CB C 83 43.519 43.519 46.039 -2.520 11451 3442 1 5 . 1 1 83 83 LEU H H 83 7.918 7.918 8.364 -0.446 11451 3443 1 5 . 1 1 84 84 ALA N N 84 121.663 121.663 123.779 -2.116 11451 3444 1 5 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.284 0.233 11451 3445 1 5 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.646 -0.577 11451 3446 1 5 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.609 1.376 11451 3447 1 5 . 1 1 84 84 ALA H H 84 8.053 8.053 7.951 0.102 11451 3448 1 5 . 1 1 85 85 MET N N 85 115.338 115.338 119.167 -3.829 11451 3449 1 5 . 1 1 85 85 MET HA H 85 5.241 5.241 4.760 0.481 11451 3450 1 5 . 1 1 85 85 MET CA C 85 52.707 52.707 52.730 -0.023 11451 3451 1 5 . 1 1 85 85 MET CB C 85 29.801 29.801 31.834 -2.033 11451 3452 1 5 . 1 1 85 85 MET H H 85 7.539 7.539 8.259 -0.720 11451 3453 1 5 . 1 1 86 86 ALA N N 86 126.558 126.558 126.971 -0.413 11451 3454 1 5 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.702 -0.019 11451 3455 1 5 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.394 -0.187 11451 3456 1 5 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.387 -0.971 11451 3457 1 5 . 1 1 86 86 ALA H H 86 8.287 8.287 8.663 -0.376 11451 3458 1 5 . 1 1 87 87 ARG N N 87 113.623 113.623 117.420 -3.797 11451 3459 1 5 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.881 -0.247 11451 3460 1 5 . 1 1 87 87 ARG CA C 87 55.768 55.768 54.966 0.802 11451 3461 1 5 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.431 -2.709 11451 3462 1 5 . 1 1 87 87 ARG H H 87 8.031 8.031 8.325 -0.294 11451 3463 1 5 . 1 1 88 88 THR N N 88 111.627 111.627 115.204 -3.577 11451 3464 1 5 . 1 1 88 88 THR HA H 88 4.624 4.624 4.234 0.390 11451 3465 1 5 . 1 1 88 88 THR CA C 88 60.554 60.554 64.853 -4.298 11451 3466 1 5 . 1 1 88 88 THR CB C 88 68.430 68.430 69.592 -1.162 11451 3467 1 5 . 1 1 88 88 THR H H 88 7.892 7.892 8.536 -0.644 11451 3468 1 5 . 1 1 89 89 GLN N N 89 117.361 117.361 116.338 1.023 11451 3469 1 5 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.439 -0.588 11451 3470 1 5 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.256 2.655 11451 3471 1 5 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.139 -1.769 11451 3472 1 5 . 1 1 89 89 GLN H H 89 8.188 8.188 8.308 -0.120 11451 3473 1 5 . 1 1 90 90 ALA N N 90 122.998 122.998 124.640 -1.642 11451 3474 1 5 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.694 -0.349 11451 3475 1 5 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.251 -0.525 11451 3476 1 5 . 1 1 90 90 ALA CB C 90 17.174 17.174 18.467 -1.293 11451 3477 1 5 . 1 1 90 90 ALA H H 90 7.962 7.962 7.977 -0.015 11451 3478 1 5 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.950 -0.482 11451 3479 1 5 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.170 1.267 11451 3480 1 5 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.649 -1.680 11451 3481 1 5 . 1 1 92 92 HIS N N 92 118.470 118.470 114.305 4.165 11451 3482 1 5 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.925 -0.101 11451 3483 1 5 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.308 -1.107 11451 3484 1 5 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.391 -1.082 11451 3485 1 5 . 1 1 92 92 HIS H H 92 7.977 7.977 8.083 -0.106 11451 3486 1 5 . 1 1 93 93 SER N N 93 108.425 108.425 115.206 -6.781 11451 3487 1 5 . 1 1 93 93 SER HA H 93 4.380 4.380 4.661 -0.281 11451 3488 1 5 . 1 1 93 93 SER CA C 93 57.696 57.696 57.770 -0.074 11451 3489 1 5 . 1 1 93 93 SER CB C 93 65.924 65.924 63.598 2.326 11451 3490 1 5 . 1 1 93 93 SER H H 93 6.374 6.374 7.765 -1.391 11451 3491 1 5 . 1 1 94 94 ALA N N 94 130.109 130.109 125.429 4.680 11451 3492 1 5 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.005 -0.729 11451 3493 1 5 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.353 2.820 11451 3494 1 5 . 1 1 94 94 ALA CB C 94 20.366 20.366 19.207 1.159 11451 3495 1 5 . 1 1 94 94 ALA H H 94 8.543 8.543 7.436 1.107 11451 3496 1 5 . 1 1 95 95 THR N N 95 110.794 110.794 116.352 -5.558 11451 3497 1 5 . 1 1 95 95 THR HA H 95 4.722 4.722 4.521 0.201 11451 3498 1 5 . 1 1 95 95 THR CA C 95 59.725 59.725 63.363 -3.638 11451 3499 1 5 . 1 1 95 95 THR CB C 95 70.157 70.157 69.646 0.511 11451 3500 1 5 . 1 1 95 95 THR H H 95 8.925 8.925 8.206 0.719 11451 3501 1 5 . 1 1 96 96 ALA N N 96 121.615 121.615 123.456 -1.841 11451 3502 1 5 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.890 -0.463 11451 3503 1 5 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.693 -0.157 11451 3504 1 5 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.632 3.584 11451 3505 1 5 . 1 1 96 96 ALA H H 96 7.954 7.954 8.187 -0.233 11451 3506 1 5 . 1 1 97 97 GLN N N 97 115.548 115.548 117.911 -2.363 11451 3507 1 5 . 1 1 97 97 GLN HA H 97 4.629 4.629 5.223 -0.594 11451 3508 1 5 . 1 1 97 97 GLN CA C 97 57.388 57.388 54.630 2.758 11451 3509 1 5 . 1 1 97 97 GLN CB C 97 30.757 30.757 31.291 -0.534 11451 3510 1 5 . 1 1 97 97 GLN H H 97 7.866 7.866 7.964 -0.098 11451 3511 1 5 . 1 1 98 98 PHE N N 98 117.593 117.593 119.262 -1.669 11451 3512 1 5 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.518 0.270 11451 3513 1 5 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.896 -1.241 11451 3514 1 5 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.163 0.062 11451 3515 1 5 . 1 1 98 98 PHE H H 98 7.623 7.623 8.638 -1.015 11451 3516 1 5 . 1 1 99 99 PHE N N 99 116.226 116.226 114.418 1.808 11451 3517 1 5 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.178 0.554 11451 3518 1 5 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.481 -0.432 11451 3519 1 5 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.128 1.892 11451 3520 1 5 . 1 1 99 99 PHE H H 99 9.518 9.518 8.604 0.914 11451 3521 1 5 . 1 1 100 100 ILE N N 100 117.687 117.687 120.526 -2.839 11451 3522 1 5 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.808 0.019 11451 3523 1 5 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.125 -0.776 11451 3524 1 5 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.490 0.179 11451 3525 1 5 . 1 1 100 100 ILE H H 100 9.136 9.136 8.590 0.546 11451 3526 1 5 . 1 1 101 101 ASN N N 101 126.524 126.524 128.222 -1.698 11451 3527 1 5 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.688 -0.229 11451 3528 1 5 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.365 2.368 11451 3529 1 5 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.009 1.917 11451 3530 1 5 . 1 1 101 101 ASN H H 101 8.877 8.877 9.223 -0.346 11451 3531 1 5 . 1 1 102 102 VAL N N 102 117.660 117.660 123.119 -5.459 11451 3532 1 5 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.948 0.463 11451 3533 1 5 . 1 1 102 102 VAL CA C 102 61.907 61.907 62.819 -0.912 11451 3534 1 5 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.343 -1.973 11451 3535 1 5 . 1 1 102 102 VAL H H 102 7.700 7.700 7.873 -0.173 11451 3536 1 5 . 1 1 103 103 VAL N N 103 116.637 116.637 112.981 3.656 11451 3537 1 5 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.433 -0.080 11451 3538 1 5 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.967 0.692 11451 3539 1 5 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.143 1.367 11451 3540 1 5 . 1 1 103 103 VAL H H 103 7.753 7.753 7.190 0.563 11451 3541 1 5 . 1 1 104 104 ASP N N 104 118.510 118.510 121.706 -3.196 11451 3542 1 5 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.621 -0.366 11451 3543 1 5 . 1 1 104 104 ASP CA C 104 55.500 55.500 54.900 0.600 11451 3544 1 5 . 1 1 104 104 ASP CB C 104 39.088 39.088 40.946 -1.858 11451 3545 1 5 . 1 1 104 104 ASP H H 104 8.171 8.171 8.449 -0.278 11451 3546 1 5 . 1 1 105 105 ASN N N 105 128.132 128.132 123.280 4.852 11451 3547 1 5 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.851 0.228 11451 3548 1 5 . 1 1 105 105 ASN CA C 105 51.529 51.529 51.985 -0.456 11451 3549 1 5 . 1 1 105 105 ASN CB C 105 39.135 39.135 38.929 0.206 11451 3550 1 5 . 1 1 105 105 ASN H H 105 8.352 8.352 8.107 0.245 11451 3551 1 5 . 1 1 106 106 ASP N N 106 121.636 121.636 122.437 -0.801 11451 3552 1 5 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.263 0.008 11451 3553 1 5 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.490 -0.704 11451 3554 1 5 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.975 -1.170 11451 3555 1 5 . 1 1 106 106 ASP H H 106 8.203 8.203 8.745 -0.542 11451 3556 1 5 . 1 1 107 107 PHE N N 107 114.525 114.525 114.109 0.416 11451 3557 1 5 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.364 0.134 11451 3558 1 5 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.060 -1.665 11451 3559 1 5 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.011 -1.231 11451 3560 1 5 . 1 1 107 107 PHE H H 107 7.388 7.388 7.758 -0.370 11451 3561 1 5 . 1 1 108 108 LEU N N 108 121.576 121.576 117.662 3.914 11451 3562 1 5 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.442 0.024 11451 3563 1 5 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.325 -0.847 11451 3564 1 5 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.482 0.617 11451 3565 1 5 . 1 1 108 108 LEU H H 108 7.163 7.163 7.250 -0.087 11451 3566 1 5 . 1 1 109 109 ASN N N 109 116.121 116.121 117.575 -1.454 11451 3567 1 5 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.897 0.252 11451 3568 1 5 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.049 -0.079 11451 3569 1 5 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.082 -0.963 11451 3570 1 5 . 1 1 109 109 ASN H H 109 7.312 7.312 7.737 -0.425 11451 3571 1 5 . 1 1 110 110 PHE N N 110 124.182 124.182 121.572 2.610 11451 3572 1 5 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.693 -0.441 11451 3573 1 5 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.776 -0.722 11451 3574 1 5 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.168 -0.375 11451 3575 1 5 . 1 1 110 110 PHE H H 110 8.825 8.825 7.936 0.889 11451 3576 1 5 . 1 1 111 111 SER N N 111 122.136 122.136 120.774 1.362 11451 3577 1 5 . 1 1 111 111 SER HA H 111 4.179 4.179 4.458 -0.279 11451 3578 1 5 . 1 1 111 111 SER CA C 111 57.521 57.521 57.770 -0.249 11451 3579 1 5 . 1 1 111 111 SER CB C 111 64.617 64.617 64.320 0.297 11451 3580 1 5 . 1 1 111 111 SER H H 111 9.456 9.456 7.870 1.586 11451 3581 1 5 . 1 1 112 112 GLY N N 112 110.435 110.435 108.605 1.830 11451 3582 1 5 . 1 1 112 112 GLY CA C 112 45.378 45.378 45.325 0.053 11451 3583 1 5 . 1 1 112 112 GLY H H 112 5.514 5.514 7.230 -1.716 11451 3584 1 5 . 1 1 113 113 GLU N N 113 118.926 118.926 118.625 0.301 11451 3585 1 5 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.486 -0.839 11451 3586 1 5 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.351 -2.381 11451 3587 1 5 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.037 -2.374 11451 3588 1 5 . 1 1 113 113 GLU H H 113 7.862 7.862 8.132 -0.270 11451 3589 1 5 . 1 1 114 114 SER N N 114 119.323 119.323 114.067 5.256 11451 3590 1 5 . 1 1 114 114 SER HA H 114 4.625 4.625 4.799 -0.174 11451 3591 1 5 . 1 1 114 114 SER CA C 114 56.279 56.279 57.199 -0.920 11451 3592 1 5 . 1 1 114 114 SER H H 114 7.621 7.621 8.076 -0.455 11451 3593 1 5 . 1 1 115 115 LEU N N 115 122.373 122.373 127.859 -5.486 11451 3594 1 5 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.931 0.186 11451 3595 1 5 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.405 1.555 11451 3596 1 5 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.930 -0.805 11451 3597 1 5 . 1 1 115 115 LEU H H 115 8.745 8.745 8.993 -0.248 11451 3598 1 5 . 1 1 116 116 GLN N N 116 114.490 114.490 116.259 -1.769 11451 3599 1 5 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.273 -0.011 11451 3600 1 5 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.455 0.672 11451 3601 1 5 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.461 -0.264 11451 3602 1 5 . 1 1 116 116 GLN H H 116 8.292 8.292 8.270 0.022 11451 3603 1 5 . 1 1 117 117 GLY N N 117 109.729 109.729 109.178 0.551 11451 3604 1 5 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.831 0.710 11451 3605 1 5 . 1 1 117 117 GLY H H 117 7.832 7.832 8.154 -0.322 11451 3606 1 5 . 1 1 118 118 TRP N N 118 123.807 123.807 123.528 0.279 11451 3607 1 5 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.814 -0.500 11451 3608 1 5 . 1 1 118 118 TRP CA C 118 62.294 62.294 55.269 7.025 11451 3609 1 5 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.587 1.579 11451 3610 1 5 . 1 1 118 118 TRP H H 118 7.801 7.801 7.721 0.080 11451 3611 1 5 . 1 1 119 119 GLY N N 119 124.815 124.815 110.169 14.646 11451 3612 1 5 . 1 1 119 119 GLY CA C 119 45.319 45.319 44.900 0.419 11451 3613 1 5 . 1 1 119 119 GLY H H 119 7.438 7.438 7.998 -0.560 11451 3614 1 5 . 1 1 120 120 TYR N N 120 119.720 119.720 118.096 1.624 11451 3615 1 5 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.013 0.189 11451 3616 1 5 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.067 0.252 11451 3617 1 5 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.795 -3.056 11451 3618 1 5 . 1 1 120 120 TYR H H 120 8.281 8.281 7.788 0.493 11451 3619 1 5 . 1 1 121 121 CYS N N 121 126.117 126.117 122.152 3.965 11451 3620 1 5 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.758 -0.519 11451 3621 1 5 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.258 1.439 11451 3622 1 5 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.224 -0.214 11451 3623 1 5 . 1 1 121 121 CYS H H 121 9.818 9.818 9.296 0.522 11451 3624 1 5 . 1 1 122 122 VAL N N 122 106.168 106.168 130.282 -24.114 11451 3625 1 5 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.248 0.315 11451 3626 1 5 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.702 -0.052 11451 3627 1 5 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.575 0.904 11451 3628 1 5 . 1 1 122 122 VAL H H 122 9.382 9.382 8.781 0.601 11451 3629 1 5 . 1 1 123 123 PHE N N 123 118.398 118.398 121.817 -3.419 11451 3630 1 5 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.567 0.294 11451 3631 1 5 . 1 1 123 123 PHE CA C 123 54.939 54.939 58.065 -3.126 11451 3632 1 5 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.317 2.323 11451 3633 1 5 . 1 1 123 123 PHE H H 123 7.842 7.842 8.027 -0.185 11451 3634 1 5 . 1 1 124 124 ALA N N 124 124.412 124.412 118.422 5.990 11451 3635 1 5 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.663 -0.013 11451 3636 1 5 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.504 0.255 11451 3637 1 5 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.773 1.862 11451 3638 1 5 . 1 1 124 124 ALA H H 124 7.327 7.327 7.032 0.295 11451 3639 1 5 . 1 1 125 125 GLU N N 125 115.272 115.272 117.840 -2.568 11451 3640 1 5 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.698 0.073 11451 3641 1 5 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.083 0.568 11451 3642 1 5 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.536 -0.766 11451 3643 1 5 . 1 1 125 125 GLU H H 125 8.223 8.223 8.179 0.044 11451 3644 1 5 . 1 1 126 126 VAL N N 126 123.948 123.948 121.441 2.507 11451 3645 1 5 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.879 0.030 11451 3646 1 5 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.731 -0.466 11451 3647 1 5 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.437 -0.627 11451 3648 1 5 . 1 1 126 126 VAL H H 126 8.786 8.786 8.289 0.497 11451 3649 1 5 . 1 1 127 127 VAL N N 127 123.644 123.644 126.360 -2.716 11451 3650 1 5 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.203 0.147 11451 3651 1 5 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.044 -1.550 11451 3652 1 5 . 1 1 127 127 VAL CB C 127 32.482 32.482 33.208 -0.726 11451 3653 1 5 . 1 1 127 127 VAL H H 127 9.096 9.096 8.942 0.154 11451 3654 1 5 . 1 1 128 128 ASP N N 128 121.165 121.165 119.249 1.916 11451 3655 1 5 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.825 0.097 11451 3656 1 5 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.929 0.472 11451 3657 1 5 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.304 -1.255 11451 3658 1 5 . 1 1 128 128 ASP H H 128 7.719 7.719 7.681 0.038 11451 3659 1 5 . 1 1 129 129 GLY N N 129 110.821 110.821 108.681 2.140 11451 3660 1 5 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.612 0.149 11451 3661 1 5 . 1 1 129 129 GLY H H 129 8.276 8.276 8.912 -0.636 11451 3662 1 5 . 1 1 130 130 MET N N 130 122.991 122.991 120.657 2.334 11451 3663 1 5 . 1 1 130 130 MET HA H 130 4.468 4.468 4.251 0.217 11451 3664 1 5 . 1 1 130 130 MET CA C 130 55.953 55.953 56.880 -0.927 11451 3665 1 5 . 1 1 130 130 MET CB C 130 28.771 28.771 31.212 -2.441 11451 3666 1 5 . 1 1 130 130 MET H H 130 8.945 8.945 8.441 0.504 11451 3667 1 5 . 1 1 131 131 ASP N N 131 117.183 117.183 118.670 -1.487 11451 3668 1 5 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.434 -0.190 11451 3669 1 5 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.431 -0.792 11451 3670 1 5 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.389 -1.711 11451 3671 1 5 . 1 1 131 131 ASP H H 131 8.924 8.924 8.790 0.134 11451 3672 1 5 . 1 1 132 132 VAL N N 132 124.340 124.340 120.042 4.298 11451 3673 1 5 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.754 -0.315 11451 3674 1 5 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.884 0.131 11451 3675 1 5 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.967 -1.186 11451 3676 1 5 . 1 1 132 132 VAL H H 132 7.222 7.222 7.608 -0.386 11451 3677 1 5 . 1 1 133 133 VAL N N 133 121.730 121.730 120.643 1.087 11451 3678 1 5 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.437 -0.419 11451 3679 1 5 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.984 0.092 11451 3680 1 5 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.401 -0.581 11451 3681 1 5 . 1 1 133 133 VAL H H 133 7.367 7.367 7.837 -0.470 11451 3682 1 5 . 1 1 134 134 ASP N N 134 117.555 117.555 117.726 -0.171 11451 3683 1 5 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.303 -0.053 11451 3684 1 5 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.936 -0.673 11451 3685 1 5 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.059 -1.247 11451 3686 1 5 . 1 1 134 134 ASP H H 134 8.411 8.411 8.300 0.111 11451 3687 1 5 . 1 1 135 135 LYS N N 135 122.646 122.646 119.091 3.555 11451 3688 1 5 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.123 -0.122 11451 3689 1 5 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.166 0.742 11451 3690 1 5 . 1 1 135 135 LYS CB C 135 32.010 32.010 31.962 0.048 11451 3691 1 5 . 1 1 135 135 LYS H H 135 7.418 7.418 7.097 0.321 11451 3692 1 5 . 1 1 136 136 ILE N N 136 121.613 121.613 117.551 4.062 11451 3693 1 5 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.534 -0.472 11451 3694 1 5 . 1 1 136 136 ILE CA C 136 65.307 65.307 65.162 0.145 11451 3695 1 5 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.710 -0.411 11451 3696 1 5 . 1 1 136 136 ILE H H 136 8.075 8.075 8.143 -0.068 11451 3697 1 5 . 1 1 137 137 LYS N N 137 113.499 113.499 115.168 -1.669 11451 3698 1 5 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.231 -0.487 11451 3699 1 5 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.213 0.675 11451 3700 1 5 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.379 -1.024 11451 3701 1 5 . 1 1 137 137 LYS H H 137 7.976 7.976 7.562 0.414 11451 3702 1 5 . 1 1 138 138 GLY N N 138 104.829 104.829 107.493 -2.664 11451 3703 1 5 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.180 -0.999 11451 3704 1 5 . 1 1 138 138 GLY H H 138 6.858 6.858 7.498 -0.640 11451 3705 1 5 . 1 1 139 139 VAL N N 139 116.189 116.189 120.032 -3.843 11451 3706 1 5 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.899 0.184 11451 3707 1 5 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.377 -2.633 11451 3708 1 5 . 1 1 139 139 VAL CB C 139 32.850 32.850 32.506 0.344 11451 3709 1 5 . 1 1 139 139 VAL H H 139 7.220 7.220 7.698 -0.478 11451 3710 1 5 . 1 1 140 140 ALA N N 140 123.097 123.097 118.458 4.639 11451 3711 1 5 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.570 -0.288 11451 3712 1 5 . 1 1 140 140 ALA CA C 140 52.850 52.850 51.994 0.856 11451 3713 1 5 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.196 -1.824 11451 3714 1 5 . 1 1 140 140 ALA H H 140 8.262 8.262 7.806 0.456 11451 3715 1 5 . 1 1 141 141 THR N N 141 113.326 113.326 112.916 0.410 11451 3716 1 5 . 1 1 141 141 THR HA H 141 4.925 4.925 5.184 -0.259 11451 3717 1 5 . 1 1 141 141 THR CA C 141 59.382 59.382 60.014 -0.632 11451 3718 1 5 . 1 1 141 141 THR CB C 141 73.286 73.286 71.461 1.825 11451 3719 1 5 . 1 1 141 141 THR H H 141 8.278 8.278 8.188 0.090 11451 3720 1 5 . 1 1 142 142 GLY N N 142 107.299 107.299 110.126 -2.827 11451 3721 1 5 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.412 -0.240 11451 3722 1 5 . 1 1 142 142 GLY H H 142 8.484 8.484 8.781 -0.297 11451 3723 1 5 . 1 1 143 143 ARG N N 143 120.230 120.230 121.172 -0.942 11451 3724 1 5 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.430 0.367 11451 3725 1 5 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.404 -1.204 11451 3726 1 5 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.597 0.754 11451 3727 1 5 . 1 1 143 143 ARG H H 143 8.185 8.185 8.114 0.071 11451 3728 1 5 . 1 1 144 144 SER N N 144 119.429 119.429 119.204 0.225 11451 3729 1 5 . 1 1 144 144 SER HA H 144 4.466 4.466 4.614 -0.148 11451 3730 1 5 . 1 1 144 144 SER CA C 144 56.856 56.856 57.073 -0.217 11451 3731 1 5 . 1 1 144 144 SER CB C 144 63.174 63.174 64.604 -1.430 11451 3732 1 5 . 1 1 144 144 SER H H 144 8.427 8.427 8.824 -0.397 11451 3733 1 5 . 1 1 145 145 GLY N N 145 117.736 117.736 107.589 10.147 11451 3734 1 5 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.613 0.073 11451 3735 1 5 . 1 1 145 145 GLY H H 145 8.902 8.902 8.941 -0.039 11451 3736 1 5 . 1 1 146 146 MET N N 146 125.723 125.723 118.814 6.909 11451 3737 1 5 . 1 1 146 146 MET HA H 146 4.315 4.315 4.413 -0.098 11451 3738 1 5 . 1 1 146 146 MET CA C 146 55.431 55.431 55.464 -0.033 11451 3739 1 5 . 1 1 146 146 MET H H 146 8.827 8.827 7.409 1.418 11451 3740 1 5 . 1 1 147 147 HIS N N 147 121.581 121.581 117.026 4.555 11451 3741 1 5 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.903 -0.479 11451 3742 1 5 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.309 0.766 11451 3743 1 5 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.531 -0.938 11451 3744 1 5 . 1 1 147 147 HIS H H 147 8.010 8.010 8.262 -0.252 11451 3745 1 5 . 1 1 148 148 GLN N N 148 121.305 121.305 123.368 -2.063 11451 3746 1 5 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.509 -0.039 11451 3747 1 5 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.539 -1.075 11451 3748 1 5 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.569 1.122 11451 3749 1 5 . 1 1 148 148 GLN H H 148 8.681 8.681 8.827 -0.146 11451 3750 1 5 . 1 1 149 149 ASP N N 149 117.085 117.085 118.121 -1.036 11451 3751 1 5 . 1 1 149 149 ASP CB C 149 39.479 39.479 40.273 -0.794 11451 3752 1 5 . 1 1 149 149 ASP H H 149 8.635 8.635 8.721 -0.086 11451 3753 1 5 . 1 1 150 150 VAL N N 150 120.313 120.313 112.184 8.129 11451 3754 1 5 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.518 -0.139 11451 3755 1 5 . 1 1 150 150 VAL CA C 150 59.168 59.168 59.346 -0.179 11451 3756 1 5 . 1 1 150 150 VAL CB C 150 33.080 33.080 31.221 1.859 11451 3757 1 5 . 1 1 150 150 VAL H H 150 8.470 8.470 7.726 0.744 11451 3758 1 5 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.631 -0.217 11451 3759 1 5 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.940 0.996 11451 3760 1 5 . 1 1 151 151 PRO CB C 151 32.176 32.176 31.739 0.437 11451 3761 1 5 . 1 1 152 152 LYS N N 152 125.675 125.675 122.190 3.485 11451 3762 1 5 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.253 -0.382 11451 3763 1 5 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.222 1.379 11451 3764 1 5 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.768 -0.983 11451 3765 1 5 . 1 1 152 152 LYS H H 152 8.169 8.169 8.281 -0.112 11451 3766 1 5 . 1 1 153 153 GLU N N 153 119.081 119.081 121.250 -2.169 11451 3767 1 5 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.319 0.076 11451 3768 1 5 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.473 -1.257 11451 3769 1 5 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.532 0.206 11451 3770 1 5 . 1 1 153 153 GLU H H 153 7.960 7.960 8.124 -0.164 11451 3771 1 5 . 1 1 154 154 ASP N N 154 121.884 121.884 121.129 0.755 11451 3772 1 5 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.587 -0.355 11451 3773 1 5 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.772 2.328 11451 3774 1 5 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.518 0.022 11451 3775 1 5 . 1 1 154 154 ASP H H 154 8.149 8.149 8.586 -0.437 11451 3776 1 5 . 1 1 155 155 VAL N N 155 129.777 129.777 125.173 4.604 11451 3777 1 5 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.489 -0.050 11451 3778 1 5 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.457 0.854 11451 3779 1 5 . 1 1 155 155 VAL CB C 155 31.469 31.469 31.325 0.144 11451 3780 1 5 . 1 1 155 155 VAL H H 155 10.043 10.043 8.549 1.494 11451 3781 1 5 . 1 1 156 156 ILE N N 156 125.807 125.807 123.868 1.939 11451 3782 1 5 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.363 -0.951 11451 3783 1 5 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.496 2.189 11451 3784 1 5 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.603 0.311 11451 3785 1 5 . 1 1 156 156 ILE H H 156 8.252 8.252 9.223 -0.971 11451 3786 1 5 . 1 1 157 157 ILE N N 157 126.581 126.581 126.512 0.069 11451 3787 1 5 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.224 -0.545 11451 3788 1 5 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.974 0.531 11451 3789 1 5 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.502 -0.130 11451 3790 1 5 . 1 1 157 157 ILE H H 157 9.168 9.168 9.099 0.069 11451 3791 1 5 . 1 1 158 158 GLU N N 158 130.185 130.185 128.994 1.191 11451 3792 1 5 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.229 -0.189 11451 3793 1 5 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.686 0.220 11451 3794 1 5 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.566 -0.568 11451 3795 1 5 . 1 1 158 158 GLU H H 158 8.910 8.910 8.670 0.240 11451 3796 1 5 . 1 1 159 159 SER N N 159 108.037 108.037 111.240 -3.203 11451 3797 1 5 . 1 1 159 159 SER HA H 159 4.399 4.399 4.879 -0.480 11451 3798 1 5 . 1 1 159 159 SER CA C 159 57.505 57.505 57.497 0.008 11451 3799 1 5 . 1 1 159 159 SER CB C 159 64.403 64.403 64.933 -0.530 11451 3800 1 5 . 1 1 159 159 SER H H 159 7.772 7.772 8.405 -0.633 11451 3801 1 5 . 1 1 160 160 VAL N N 160 119.790 119.790 121.509 -1.719 11451 3802 1 5 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.312 -0.137 11451 3803 1 5 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.497 0.068 11451 3804 1 5 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.231 -0.216 11451 3805 1 5 . 1 1 160 160 VAL H H 160 7.681 7.681 8.260 -0.579 11451 3806 1 5 . 1 1 161 161 THR N N 161 122.628 122.628 121.801 0.827 11451 3807 1 5 . 1 1 161 161 THR HA H 161 4.662 4.662 4.700 -0.038 11451 3808 1 5 . 1 1 161 161 THR CA C 161 61.452 61.452 60.845 0.607 11451 3809 1 5 . 1 1 161 161 THR CB C 161 70.781 70.781 71.760 -0.979 11451 3810 1 5 . 1 1 161 161 THR H H 161 8.817 8.817 9.266 -0.449 11451 3811 1 5 . 1 1 162 162 VAL N N 162 129.304 129.304 127.362 1.942 11451 3812 1 5 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.419 0.068 11451 3813 1 5 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.103 -0.346 11451 3814 1 5 . 1 1 162 162 VAL CB C 162 32.482 32.482 31.996 0.486 11451 3815 1 5 . 1 1 162 162 VAL H H 162 9.075 9.075 8.584 0.491 11451 3816 1 5 . 1 1 163 163 SER N N 163 123.979 123.979 124.001 -0.022 11451 3817 1 5 . 1 1 163 163 SER HA H 163 4.601 4.601 4.674 -0.073 11451 3818 1 5 . 1 1 163 163 SER CA C 163 57.521 57.521 57.384 0.137 11451 3819 1 5 . 1 1 163 163 SER CB C 163 64.409 64.409 64.133 0.276 11451 3820 1 5 . 1 1 163 163 SER H H 163 8.727 8.727 8.750 -0.023 11451 3821 1 6 . 1 1 2 2 VAL N N 2 123.776 123.776 121.026 2.750 11451 3822 1 6 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.772 0.003 11451 3823 1 6 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.679 0.344 11451 3824 1 6 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.727 0.404 11451 3825 1 6 . 1 1 2 2 VAL H H 2 8.961 8.961 8.974 -0.013 11451 3826 1 6 . 1 1 3 3 THR N N 3 121.749 121.749 123.696 -1.947 11451 3827 1 6 . 1 1 3 3 THR HA H 3 5.053 5.053 4.891 0.162 11451 3828 1 6 . 1 1 3 3 THR CA C 3 61.176 61.176 61.452 -0.276 11451 3829 1 6 . 1 1 3 3 THR CB C 3 70.356 70.356 69.453 0.903 11451 3830 1 6 . 1 1 3 3 THR H H 3 8.912 8.912 9.017 -0.105 11451 3831 1 6 . 1 1 4 4 PHE N N 4 125.726 125.726 127.049 -1.323 11451 3832 1 6 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.732 0.063 11451 3833 1 6 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.227 -1.216 11451 3834 1 6 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.090 -0.369 11451 3835 1 6 . 1 1 4 4 PHE H H 4 9.442 9.442 9.091 0.351 11451 3836 1 6 . 1 1 5 5 HIS N N 5 125.337 125.337 125.863 -0.526 11451 3837 1 6 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.222 0.127 11451 3838 1 6 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.620 -1.312 11451 3839 1 6 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.399 -3.882 11451 3840 1 6 . 1 1 5 5 HIS H H 5 8.897 8.897 9.309 -0.412 11451 3841 1 6 . 1 1 6 6 THR N N 6 115.752 115.752 116.625 -0.873 11451 3842 1 6 . 1 1 6 6 THR HA H 6 6.126 6.126 4.959 1.167 11451 3843 1 6 . 1 1 6 6 THR CA C 6 60.220 60.220 59.213 1.007 11451 3844 1 6 . 1 1 6 6 THR CB C 6 72.515 72.515 71.159 1.357 11451 3845 1 6 . 1 1 6 6 THR H H 6 7.881 7.881 8.923 -1.042 11451 3846 1 6 . 1 1 7 7 ASN N N 7 119.451 119.451 119.000 0.451 11451 3847 1 6 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.617 -0.042 11451 3848 1 6 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.347 0.145 11451 3849 1 6 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.569 -3.235 11451 3850 1 6 . 1 1 7 7 ASN H H 7 9.334 9.334 8.531 0.803 11451 3851 1 6 . 1 1 8 8 HIS N N 8 118.490 118.490 116.009 2.481 11451 3852 1 6 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.836 -0.345 11451 3853 1 6 . 1 1 8 8 HIS CA C 8 56.790 56.790 55.388 1.402 11451 3854 1 6 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.568 1.066 11451 3855 1 6 . 1 1 8 8 HIS H H 8 8.663 8.663 7.170 1.493 11451 3856 1 6 . 1 1 9 9 GLY N N 9 108.550 108.550 109.425 -0.875 11451 3857 1 6 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.753 -1.153 11451 3858 1 6 . 1 1 9 9 GLY H H 9 7.320 7.320 7.714 -0.394 11451 3859 1 6 . 1 1 10 10 ASP N N 10 123.900 123.900 125.662 -1.762 11451 3860 1 6 . 1 1 10 10 ASP HA H 10 5.620 5.620 4.799 0.821 11451 3861 1 6 . 1 1 10 10 ASP CA C 10 54.310 54.310 55.054 -0.744 11451 3862 1 6 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.567 -0.067 11451 3863 1 6 . 1 1 10 10 ASP H H 10 8.857 8.857 8.335 0.522 11451 3864 1 6 . 1 1 11 11 ILE N N 11 121.150 121.150 120.300 0.850 11451 3865 1 6 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.594 -0.258 11451 3866 1 6 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.087 1.189 11451 3867 1 6 . 1 1 11 11 ILE CB C 11 41.659 41.659 41.573 0.086 11451 3868 1 6 . 1 1 11 11 ILE H H 11 8.638 8.638 8.825 -0.187 11451 3869 1 6 . 1 1 12 12 VAL N N 12 129.487 129.487 125.013 4.474 11451 3870 1 6 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.731 -0.200 11451 3871 1 6 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.593 1.717 11451 3872 1 6 . 1 1 12 12 VAL CB C 12 32.242 32.242 33.822 -1.580 11451 3873 1 6 . 1 1 12 12 VAL H H 12 8.771 8.771 8.811 -0.040 11451 3874 1 6 . 1 1 13 13 ILE N N 13 127.702 127.702 126.584 1.118 11451 3875 1 6 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.704 -0.034 11451 3876 1 6 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.711 0.027 11451 3877 1 6 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.880 -0.321 11451 3878 1 6 . 1 1 13 13 ILE H H 13 9.527 9.527 9.050 0.477 11451 3879 1 6 . 1 1 14 14 LYS N N 14 126.574 126.574 126.497 0.077 11451 3880 1 6 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.542 0.235 11451 3881 1 6 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.346 -0.503 11451 3882 1 6 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.036 0.464 11451 3883 1 6 . 1 1 14 14 LYS H H 14 8.684 8.684 8.736 -0.052 11451 3884 1 6 . 1 1 15 15 THR N N 15 113.811 113.811 117.888 -4.077 11451 3885 1 6 . 1 1 15 15 THR HA H 15 4.130 4.130 4.165 -0.035 11451 3886 1 6 . 1 1 15 15 THR CA C 15 59.806 59.806 60.954 -1.148 11451 3887 1 6 . 1 1 15 15 THR CB C 15 69.319 69.319 69.495 -0.176 11451 3888 1 6 . 1 1 15 15 THR H H 15 8.343 8.343 8.415 -0.072 11451 3889 1 6 . 1 1 16 16 PHE N N 16 122.611 122.611 123.583 -0.972 11451 3890 1 6 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.743 0.532 11451 3891 1 6 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.584 -1.294 11451 3892 1 6 . 1 1 16 16 PHE CB C 16 36.370 36.370 37.023 -0.653 11451 3893 1 6 . 1 1 16 16 PHE H H 16 8.315 8.315 8.825 -0.510 11451 3894 1 6 . 1 1 17 17 ASP N N 17 120.182 120.182 122.841 -2.659 11451 3895 1 6 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.552 -0.790 11451 3896 1 6 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.524 0.434 11451 3897 1 6 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.951 -2.002 11451 3898 1 6 . 1 1 17 17 ASP H H 17 9.106 9.106 8.236 0.870 11451 3899 1 6 . 1 1 18 18 ASP N N 18 111.686 111.686 117.998 -6.312 11451 3900 1 6 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.562 -0.188 11451 3901 1 6 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.181 -1.158 11451 3902 1 6 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.801 -1.038 11451 3903 1 6 . 1 1 18 18 ASP H H 18 8.584 8.584 8.758 -0.174 11451 3904 1 6 . 1 1 19 19 LYS N N 19 118.003 118.003 116.559 1.444 11451 3905 1 6 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.390 0.046 11451 3906 1 6 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.668 -0.281 11451 3907 1 6 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.402 0.465 11451 3908 1 6 . 1 1 19 19 LYS H H 19 7.333 7.333 7.448 -0.115 11451 3909 1 6 . 1 1 20 20 ALA N N 20 123.657 123.657 121.261 2.396 11451 3910 1 6 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.023 -0.405 11451 3911 1 6 . 1 1 20 20 ALA CA C 20 50.117 50.117 51.032 -0.916 11451 3912 1 6 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.820 -0.585 11451 3913 1 6 . 1 1 20 20 ALA H H 20 7.560 7.560 8.273 -0.713 11451 3914 1 6 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.277 0.147 11451 3915 1 6 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.684 0.592 11451 3916 1 6 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.786 -0.278 11451 3917 1 6 . 1 1 22 22 GLU N N 22 122.557 122.557 118.241 4.316 11451 3918 1 6 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.162 -0.150 11451 3919 1 6 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.192 0.432 11451 3920 1 6 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.015 -0.535 11451 3921 1 6 . 1 1 22 22 GLU H H 22 9.855 9.855 8.104 1.751 11451 3922 1 6 . 1 1 23 23 THR N N 23 122.201 122.201 117.559 4.642 11451 3923 1 6 . 1 1 23 23 THR HA H 23 3.584 3.584 4.110 -0.526 11451 3924 1 6 . 1 1 23 23 THR CA C 23 66.554 66.554 66.830 -0.276 11451 3925 1 6 . 1 1 23 23 THR CB C 23 67.614 67.614 68.775 -1.161 11451 3926 1 6 . 1 1 23 23 THR H H 23 9.390 9.390 8.862 0.528 11451 3927 1 6 . 1 1 24 24 VAL N N 24 125.111 125.111 121.674 3.437 11451 3928 1 6 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.758 -0.273 11451 3929 1 6 . 1 1 24 24 VAL CA C 24 68.307 68.307 67.047 1.260 11451 3930 1 6 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.277 -0.389 11451 3931 1 6 . 1 1 24 24 VAL H H 24 9.359 9.359 8.659 0.700 11451 3932 1 6 . 1 1 25 25 LYS N N 25 121.050 121.050 120.259 0.791 11451 3933 1 6 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.957 -0.089 11451 3934 1 6 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.511 0.728 11451 3935 1 6 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.916 -0.219 11451 3936 1 6 . 1 1 25 25 LYS H H 25 7.686 7.686 8.410 -0.724 11451 3937 1 6 . 1 1 26 26 ASN N N 26 116.337 116.337 117.597 -1.260 11451 3938 1 6 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.435 -0.379 11451 3939 1 6 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.121 0.438 11451 3940 1 6 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.467 2.225 11451 3941 1 6 . 1 1 26 26 ASN H H 26 7.535 7.535 7.859 -0.324 11451 3942 1 6 . 1 1 27 27 PHE N N 27 119.858 119.858 121.879 -2.021 11451 3943 1 6 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.436 0.103 11451 3944 1 6 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.690 -0.756 11451 3945 1 6 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.205 0.626 11451 3946 1 6 . 1 1 27 27 PHE H H 27 7.867 7.867 8.049 -0.181 11451 3947 1 6 . 1 1 28 28 LEU N N 28 120.761 120.761 120.038 0.723 11451 3948 1 6 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.921 -0.178 11451 3949 1 6 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.183 -0.315 11451 3950 1 6 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.419 -0.165 11451 3951 1 6 . 1 1 28 28 LEU H H 28 9.377 9.377 8.809 0.568 11451 3952 1 6 . 1 1 29 29 ASP N N 29 121.607 121.607 119.335 2.272 11451 3953 1 6 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.296 -0.001 11451 3954 1 6 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.663 0.166 11451 3955 1 6 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.385 -1.359 11451 3956 1 6 . 1 1 29 29 ASP H H 29 8.374 8.374 8.536 -0.162 11451 3957 1 6 . 1 1 30 30 TYR N N 30 118.959 118.959 119.516 -0.557 11451 3958 1 6 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.186 -0.181 11451 3959 1 6 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.584 0.163 11451 3960 1 6 . 1 1 30 30 TYR CB C 30 37.739 37.739 37.776 -0.037 11451 3961 1 6 . 1 1 30 30 TYR H H 30 7.287 7.287 7.420 -0.133 11451 3962 1 6 . 1 1 31 31 CYS N N 31 116.202 116.202 117.837 -1.635 11451 3963 1 6 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.226 -0.192 11451 3964 1 6 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.976 0.427 11451 3965 1 6 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.273 -0.052 11451 3966 1 6 . 1 1 31 31 CYS H H 31 8.336 8.336 8.216 0.120 11451 3967 1 6 . 1 1 32 32 ARG N N 32 121.949 121.949 120.563 1.386 11451 3968 1 6 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.122 -0.260 11451 3969 1 6 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.704 1.015 11451 3970 1 6 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.014 0.360 11451 3971 1 6 . 1 1 32 32 ARG H H 32 9.077 9.077 8.303 0.774 11451 3972 1 6 . 1 1 33 33 GLU N N 33 116.667 116.667 116.581 0.086 11451 3973 1 6 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.345 -0.158 11451 3974 1 6 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.332 0.116 11451 3975 1 6 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.963 -0.706 11451 3976 1 6 . 1 1 33 33 GLU H H 33 7.920 7.920 7.605 0.315 11451 3977 1 6 . 1 1 34 34 GLY N N 34 107.273 107.273 106.979 0.294 11451 3978 1 6 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.264 0.134 11451 3979 1 6 . 1 1 34 34 GLY H H 34 7.533 7.533 7.977 -0.444 11451 3980 1 6 . 1 1 35 35 PHE N N 35 122.134 122.134 122.113 0.021 11451 3981 1 6 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.046 -0.381 11451 3982 1 6 . 1 1 35 35 PHE CA C 35 61.605 61.605 61.765 -0.160 11451 3983 1 6 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.400 0.670 11451 3984 1 6 . 1 1 35 35 PHE H H 35 8.129 8.129 8.325 -0.196 11451 3985 1 6 . 1 1 36 36 TYR N N 36 111.250 111.250 114.260 -3.010 11451 3986 1 6 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.152 0.172 11451 3987 1 6 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.643 -0.965 11451 3988 1 6 . 1 1 36 36 TYR CB C 36 37.460 37.460 37.803 -0.343 11451 3989 1 6 . 1 1 36 36 TYR H H 36 7.355 7.355 8.335 -0.980 11451 3990 1 6 . 1 1 37 37 ASN N N 37 121.890 121.890 119.733 2.157 11451 3991 1 6 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.492 -0.667 11451 3992 1 6 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.302 -0.123 11451 3993 1 6 . 1 1 37 37 ASN CB C 37 35.855 35.855 37.966 -2.111 11451 3994 1 6 . 1 1 37 37 ASN H H 37 7.106 7.106 7.611 -0.505 11451 3995 1 6 . 1 1 38 38 ASN N N 38 121.572 121.572 116.967 4.605 11451 3996 1 6 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.369 -0.321 11451 3997 1 6 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.577 0.143 11451 3998 1 6 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.893 0.645 11451 3999 1 6 . 1 1 38 38 ASN H H 38 9.235 9.235 9.089 0.146 11451 4000 1 6 . 1 1 39 39 THR N N 39 104.540 104.540 107.953 -3.413 11451 4001 1 6 . 1 1 39 39 THR HA H 39 5.006 5.006 5.078 -0.072 11451 4002 1 6 . 1 1 39 39 THR CA C 39 59.979 59.979 61.086 -1.107 11451 4003 1 6 . 1 1 39 39 THR CB C 39 72.789 72.789 70.004 2.784 11451 4004 1 6 . 1 1 39 39 THR H H 39 7.328 7.328 7.634 -0.306 11451 4005 1 6 . 1 1 40 40 ILE N N 40 108.904 108.904 117.225 -8.321 11451 4006 1 6 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.089 0.580 11451 4007 1 6 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.924 -0.124 11451 4008 1 6 . 1 1 40 40 ILE CB C 40 39.724 39.724 40.435 -0.712 11451 4009 1 6 . 1 1 40 40 ILE H H 40 7.943 7.943 8.570 -0.627 11451 4010 1 6 . 1 1 41 41 PHE N N 41 122.068 122.068 122.700 -0.632 11451 4011 1 6 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.662 0.298 11451 4012 1 6 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.653 1.164 11451 4013 1 6 . 1 1 41 41 PHE CB C 41 37.410 37.410 37.404 0.006 11451 4014 1 6 . 1 1 41 41 PHE H H 41 8.289 8.289 8.646 -0.357 11451 4015 1 6 . 1 1 42 42 HIS N N 42 121.477 121.477 117.828 3.649 11451 4016 1 6 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.468 -0.192 11451 4017 1 6 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.969 -0.371 11451 4018 1 6 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.156 1.507 11451 4019 1 6 . 1 1 42 42 HIS H H 42 7.862 7.862 7.788 0.074 11451 4020 1 6 . 1 1 43 43 ARG N N 43 123.403 123.403 119.642 3.761 11451 4021 1 6 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.824 -0.208 11451 4022 1 6 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.955 0.364 11451 4023 1 6 . 1 1 43 43 ARG CB C 43 32.275 32.275 32.833 -0.557 11451 4024 1 6 . 1 1 43 43 ARG H H 43 6.933 6.933 7.295 -0.362 11451 4025 1 6 . 1 1 44 44 VAL N N 44 129.359 129.359 126.344 3.015 11451 4026 1 6 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.446 -0.306 11451 4027 1 6 . 1 1 44 44 VAL CA C 44 62.374 62.374 61.070 1.304 11451 4028 1 6 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.453 -0.262 11451 4029 1 6 . 1 1 44 44 VAL H H 44 9.023 9.023 8.172 0.851 11451 4030 1 6 . 1 1 45 45 ILE N N 45 126.532 126.532 127.611 -1.079 11451 4031 1 6 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.559 -0.323 11451 4032 1 6 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.873 0.591 11451 4033 1 6 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.851 -2.901 11451 4034 1 6 . 1 1 45 45 ILE H H 45 8.243 8.243 8.299 -0.056 11451 4035 1 6 . 1 1 46 46 ASN N N 46 128.015 128.015 125.007 3.008 11451 4036 1 6 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.704 -0.543 11451 4037 1 6 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.034 0.307 11451 4038 1 6 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.691 -2.017 11451 4039 1 6 . 1 1 46 46 ASN H H 46 9.127 9.127 8.644 0.483 11451 4040 1 6 . 1 1 47 47 GLY N N 47 110.314 110.314 107.581 2.733 11451 4041 1 6 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.666 -0.036 11451 4042 1 6 . 1 1 47 47 GLY H H 47 7.542 7.542 8.847 -1.305 11451 4043 1 6 . 1 1 48 48 PHE N N 48 116.701 116.701 118.595 -1.894 11451 4044 1 6 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.802 0.340 11451 4045 1 6 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.232 1.268 11451 4046 1 6 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.194 -2.866 11451 4047 1 6 . 1 1 48 48 PHE H H 48 7.800 7.800 7.542 0.258 11451 4048 1 6 . 1 1 49 49 MET N N 49 117.710 117.710 117.990 -0.280 11451 4049 1 6 . 1 1 49 49 MET HA H 49 5.027 5.027 4.585 0.442 11451 4050 1 6 . 1 1 49 49 MET CA C 49 55.009 55.009 53.310 1.699 11451 4051 1 6 . 1 1 49 49 MET CB C 49 35.120 35.120 33.583 1.537 11451 4052 1 6 . 1 1 49 49 MET H H 49 8.363 8.363 7.028 1.335 11451 4053 1 6 . 1 1 50 50 ILE N N 50 110.774 110.774 113.523 -2.749 11451 4054 1 6 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.876 -0.009 11451 4055 1 6 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.268 0.467 11451 4056 1 6 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.925 -0.664 11451 4057 1 6 . 1 1 50 50 ILE H H 50 7.749 7.749 7.680 0.069 11451 4058 1 6 . 1 1 51 51 GLN N N 51 127.997 127.997 124.529 3.468 11451 4059 1 6 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.024 0.177 11451 4060 1 6 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.824 0.228 11451 4061 1 6 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.884 -1.200 11451 4062 1 6 . 1 1 51 51 GLN H H 51 9.198 9.198 7.978 1.220 11451 4063 1 6 . 1 1 52 52 GLY N N 52 111.413 111.413 107.962 3.451 11451 4064 1 6 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.272 1.021 11451 4065 1 6 . 1 1 52 52 GLY H H 52 8.037 8.037 8.449 -0.412 11451 4066 1 6 . 1 1 53 53 GLY N N 53 106.177 106.177 107.265 -1.088 11451 4067 1 6 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.078 -0.001 11451 4068 1 6 . 1 1 53 53 GLY H H 53 8.334 8.334 7.977 0.357 11451 4069 1 6 . 1 1 54 54 GLY N N 54 129.939 129.939 106.595 23.344 11451 4070 1 6 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.463 -0.051 11451 4071 1 6 . 1 1 54 54 GLY H H 54 9.068 9.068 8.538 0.530 11451 4072 1 6 . 1 1 55 55 PHE N N 55 121.195 121.195 116.332 4.863 11451 4073 1 6 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.257 -0.370 11451 4074 1 6 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.104 0.594 11451 4075 1 6 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.442 -0.596 11451 4076 1 6 . 1 1 55 55 PHE H H 55 9.329 9.329 7.400 1.929 11451 4077 1 6 . 1 1 56 56 GLU N N 56 120.126 120.126 120.390 -0.264 11451 4078 1 6 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.074 -0.227 11451 4079 1 6 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.697 0.502 11451 4080 1 6 . 1 1 56 56 GLU CB C 56 29.452 29.452 29.479 -0.027 11451 4081 1 6 . 1 1 56 56 GLU H H 56 8.531 8.531 8.447 0.084 11451 4082 1 6 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.332 -0.342 11451 4083 1 6 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.014 0.849 11451 4084 1 6 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.714 -0.846 11451 4085 1 6 . 1 1 58 58 GLY N N 58 113.477 113.477 105.017 8.460 11451 4086 1 6 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.250 0.116 11451 4087 1 6 . 1 1 58 58 GLY H H 58 9.454 9.454 7.918 1.536 11451 4088 1 6 . 1 1 59 59 MET N N 59 114.007 114.007 117.279 -3.272 11451 4089 1 6 . 1 1 59 59 MET HA H 59 3.946 3.946 3.670 0.276 11451 4090 1 6 . 1 1 59 59 MET CA C 59 54.650 54.650 55.962 -1.312 11451 4091 1 6 . 1 1 59 59 MET CB C 59 25.875 25.875 28.988 -3.112 11451 4092 1 6 . 1 1 59 59 MET H H 59 8.027 8.027 7.902 0.125 11451 4093 1 6 . 1 1 60 60 LYS N N 60 120.420 120.420 119.989 0.431 11451 4094 1 6 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.529 -0.063 11451 4095 1 6 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.282 -0.324 11451 4096 1 6 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.407 -1.097 11451 4097 1 6 . 1 1 60 60 LYS H H 60 6.996 6.996 7.653 -0.657 11451 4098 1 6 . 1 1 61 61 GLN N N 61 130.250 130.250 125.604 4.646 11451 4099 1 6 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.255 -0.869 11451 4100 1 6 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.718 0.061 11451 4101 1 6 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.413 -0.972 11451 4102 1 6 . 1 1 61 61 GLN H H 61 8.965 8.965 8.777 0.188 11451 4103 1 6 . 1 1 62 62 LYS N N 62 126.196 126.196 125.791 0.405 11451 4104 1 6 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.218 -0.088 11451 4105 1 6 . 1 1 62 62 LYS CA C 62 56.690 56.690 56.079 0.611 11451 4106 1 6 . 1 1 62 62 LYS CB C 62 32.772 32.772 33.051 -0.279 11451 4107 1 6 . 1 1 62 62 LYS H H 62 7.323 7.323 7.636 -0.313 11451 4108 1 6 . 1 1 63 63 ALA N N 63 127.588 127.588 123.769 3.819 11451 4109 1 6 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.495 -0.211 11451 4110 1 6 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.824 0.821 11451 4111 1 6 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.401 0.972 11451 4112 1 6 . 1 1 63 63 ALA H H 63 8.458 8.458 8.698 -0.240 11451 4113 1 6 . 1 1 64 64 THR N N 64 111.370 111.370 114.755 -3.385 11451 4114 1 6 . 1 1 64 64 THR HA H 64 4.550 4.550 4.087 0.463 11451 4115 1 6 . 1 1 64 64 THR CA C 64 60.554 60.554 62.496 -1.942 11451 4116 1 6 . 1 1 64 64 THR CB C 64 71.700 71.700 68.344 3.356 11451 4117 1 6 . 1 1 64 64 THR H H 64 8.122 8.122 7.764 0.358 11451 4118 1 6 . 1 1 65 65 LYS N N 65 118.451 118.451 126.736 -8.285 11451 4119 1 6 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.508 -0.089 11451 4120 1 6 . 1 1 65 65 LYS CA C 65 55.346 55.346 54.842 0.504 11451 4121 1 6 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.258 -2.776 11451 4122 1 6 . 1 1 65 65 LYS H H 65 7.879 7.879 8.122 -0.243 11451 4123 1 6 . 1 1 66 66 GLU N N 66 118.805 118.805 119.483 -0.678 11451 4124 1 6 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.104 0.053 11451 4125 1 6 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.270 -0.388 11451 4126 1 6 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.075 0.275 11451 4127 1 6 . 1 1 66 66 GLU H H 66 7.872 7.872 8.649 -0.777 11451 4128 1 6 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.499 0.355 11451 4129 1 6 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.294 -1.139 11451 4130 1 6 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.279 0.411 11451 4131 1 6 . 1 1 68 68 ILE N N 68 112.686 112.686 123.424 -10.738 11451 4132 1 6 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.536 -0.099 11451 4133 1 6 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.683 -0.712 11451 4134 1 6 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.833 0.692 11451 4135 1 6 . 1 1 68 68 ILE H H 68 8.235 8.235 8.416 -0.181 11451 4136 1 6 . 1 1 69 69 LYS N N 69 121.199 121.199 122.073 -0.874 11451 4137 1 6 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.610 -0.669 11451 4138 1 6 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.234 -0.174 11451 4139 1 6 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.914 -0.774 11451 4140 1 6 . 1 1 69 69 LYS H H 69 7.849 7.849 8.262 -0.413 11451 4141 1 6 . 1 1 70 70 ASN N N 70 126.585 126.585 120.105 6.480 11451 4142 1 6 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.738 -0.516 11451 4143 1 6 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.767 -0.439 11451 4144 1 6 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.721 -1.584 11451 4145 1 6 . 1 1 70 70 ASN H H 70 10.816 10.816 9.036 1.780 11451 4146 1 6 . 1 1 71 71 GLU N N 71 126.223 126.223 124.869 1.354 11451 4147 1 6 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.567 0.086 11451 4148 1 6 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.130 -0.533 11451 4149 1 6 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.712 0.068 11451 4150 1 6 . 1 1 71 71 GLU H H 71 8.202 8.202 8.766 -0.564 11451 4151 1 6 . 1 1 72 72 ALA N N 72 120.736 120.736 121.935 -1.199 11451 4152 1 6 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.258 -0.026 11451 4153 1 6 . 1 1 72 72 ALA CA C 72 55.120 55.120 53.924 1.196 11451 4154 1 6 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.530 -1.024 11451 4155 1 6 . 1 1 72 72 ALA H H 72 9.149 9.149 8.322 0.827 11451 4156 1 6 . 1 1 73 73 ASN N N 73 114.744 114.744 117.604 -2.860 11451 4157 1 6 . 1 1 73 73 ASN HA H 73 3.181 3.181 3.418 -0.237 11451 4158 1 6 . 1 1 73 73 ASN CA C 73 52.331 52.331 51.944 0.387 11451 4159 1 6 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.009 -1.333 11451 4160 1 6 . 1 1 73 73 ASN H H 73 7.892 7.892 8.189 -0.297 11451 4161 1 6 . 1 1 74 74 ASN N N 74 119.796 119.796 117.282 2.514 11451 4162 1 6 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.732 -0.353 11451 4163 1 6 . 1 1 74 74 ASN CA C 74 52.767 52.767 52.238 0.529 11451 4164 1 6 . 1 1 74 74 ASN CB C 74 38.415 38.415 39.494 -1.079 11451 4165 1 6 . 1 1 74 74 ASN H H 74 8.408 8.408 7.767 0.641 11451 4166 1 6 . 1 1 75 75 GLY N N 75 108.891 108.891 108.736 0.155 11451 4167 1 6 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.302 0.325 11451 4168 1 6 . 1 1 75 75 GLY H H 75 7.971 7.971 7.559 0.412 11451 4169 1 6 . 1 1 76 76 LEU N N 76 120.602 120.602 121.342 -0.740 11451 4170 1 6 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.443 -0.132 11451 4171 1 6 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.652 -0.053 11451 4172 1 6 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.906 -1.817 11451 4173 1 6 . 1 1 76 76 LEU H H 76 7.734 7.734 8.039 -0.305 11451 4174 1 6 . 1 1 77 77 LYS N N 77 121.982 121.982 118.389 3.593 11451 4175 1 6 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.721 -0.271 11451 4176 1 6 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.962 0.039 11451 4177 1 6 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.809 -1.109 11451 4178 1 6 . 1 1 77 77 LYS H H 77 8.161 8.161 8.257 -0.096 11451 4179 1 6 . 1 1 78 78 ASN N N 78 124.764 124.764 122.896 1.868 11451 4180 1 6 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.059 -0.392 11451 4181 1 6 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.134 1.180 11451 4182 1 6 . 1 1 78 78 ASN CB C 78 37.130 37.130 38.861 -1.732 11451 4183 1 6 . 1 1 78 78 ASN H H 78 9.564 9.564 9.368 0.196 11451 4184 1 6 . 1 1 79 79 THR N N 79 114.955 114.955 113.675 1.280 11451 4185 1 6 . 1 1 79 79 THR HA H 79 4.263 4.263 4.754 -0.491 11451 4186 1 6 . 1 1 79 79 THR CA C 79 60.774 60.774 59.873 0.901 11451 4187 1 6 . 1 1 79 79 THR CB C 79 70.347 70.347 71.754 -1.407 11451 4188 1 6 . 1 1 79 79 THR H H 79 8.190 8.190 8.032 0.158 11451 4189 1 6 . 1 1 80 80 ARG N N 80 124.080 124.080 125.324 -1.244 11451 4190 1 6 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.945 -0.742 11451 4191 1 6 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.492 0.995 11451 4192 1 6 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.706 -0.797 11451 4193 1 6 . 1 1 80 80 ARG H H 80 9.203 9.203 9.154 0.049 11451 4194 1 6 . 1 1 81 81 GLY N N 81 115.741 115.741 117.026 -1.285 11451 4195 1 6 . 1 1 81 81 GLY CA C 81 45.071 45.071 44.929 0.142 11451 4196 1 6 . 1 1 81 81 GLY H H 81 8.976 8.976 9.233 -0.257 11451 4197 1 6 . 1 1 82 82 THR N N 82 110.362 110.362 111.317 -0.955 11451 4198 1 6 . 1 1 82 82 THR HA H 82 4.623 4.623 4.649 -0.026 11451 4199 1 6 . 1 1 82 82 THR CA C 82 61.694 61.694 60.112 1.582 11451 4200 1 6 . 1 1 82 82 THR CB C 82 72.230 72.230 71.837 0.393 11451 4201 1 6 . 1 1 82 82 THR H H 82 8.070 8.070 7.475 0.595 11451 4202 1 6 . 1 1 83 83 LEU N N 83 121.341 121.341 121.570 -0.229 11451 4203 1 6 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.302 -0.083 11451 4204 1 6 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.960 0.390 11451 4205 1 6 . 1 1 83 83 LEU CB C 83 43.519 43.519 46.318 -2.799 11451 4206 1 6 . 1 1 83 83 LEU H H 83 7.918 7.918 8.356 -0.438 11451 4207 1 6 . 1 1 84 84 ALA N N 84 121.663 121.663 122.941 -1.278 11451 4208 1 6 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.299 0.218 11451 4209 1 6 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.941 -0.872 11451 4210 1 6 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.743 1.242 11451 4211 1 6 . 1 1 84 84 ALA H H 84 8.053 8.053 8.134 -0.081 11451 4212 1 6 . 1 1 85 85 MET N N 85 115.338 115.338 119.644 -4.306 11451 4213 1 6 . 1 1 85 85 MET HA H 85 5.241 5.241 4.692 0.549 11451 4214 1 6 . 1 1 85 85 MET CA C 85 52.707 52.707 55.388 -2.681 11451 4215 1 6 . 1 1 85 85 MET CB C 85 29.801 29.801 33.781 -3.979 11451 4216 1 6 . 1 1 85 85 MET H H 85 7.539 7.539 8.129 -0.590 11451 4217 1 6 . 1 1 86 86 ALA N N 86 126.558 126.558 126.418 0.140 11451 4218 1 6 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.740 -0.057 11451 4219 1 6 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.888 -0.681 11451 4220 1 6 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.715 -1.299 11451 4221 1 6 . 1 1 86 86 ALA H H 86 8.287 8.287 8.694 -0.407 11451 4222 1 6 . 1 1 87 87 ARG N N 87 113.623 113.623 119.861 -6.238 11451 4223 1 6 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.832 -0.198 11451 4224 1 6 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.115 0.653 11451 4225 1 6 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.735 -3.013 11451 4226 1 6 . 1 1 87 87 ARG H H 87 8.031 8.031 8.527 -0.496 11451 4227 1 6 . 1 1 88 88 THR N N 88 111.627 111.627 115.024 -3.397 11451 4228 1 6 . 1 1 88 88 THR HA H 88 4.624 4.624 4.332 0.292 11451 4229 1 6 . 1 1 88 88 THR CA C 88 60.554 60.554 65.049 -4.495 11451 4230 1 6 . 1 1 88 88 THR CB C 88 68.430 68.430 69.666 -1.236 11451 4231 1 6 . 1 1 88 88 THR H H 88 7.892 7.892 8.581 -0.689 11451 4232 1 6 . 1 1 89 89 GLN N N 89 117.361 117.361 118.126 -0.765 11451 4233 1 6 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.430 -0.579 11451 4234 1 6 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.956 1.955 11451 4235 1 6 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.213 -1.843 11451 4236 1 6 . 1 1 89 89 GLN H H 89 8.188 8.188 8.314 -0.126 11451 4237 1 6 . 1 1 90 90 ALA N N 90 122.998 122.998 124.637 -1.639 11451 4238 1 6 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.558 -0.213 11451 4239 1 6 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.737 -1.011 11451 4240 1 6 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.727 -0.553 11451 4241 1 6 . 1 1 90 90 ALA H H 90 7.962 7.962 8.197 -0.235 11451 4242 1 6 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.858 -0.390 11451 4243 1 6 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.392 1.045 11451 4244 1 6 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.104 -1.135 11451 4245 1 6 . 1 1 92 92 HIS N N 92 118.470 118.470 114.366 4.104 11451 4246 1 6 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.906 -0.082 11451 4247 1 6 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.463 -1.262 11451 4248 1 6 . 1 1 92 92 HIS CB C 92 28.309 28.309 28.760 -0.451 11451 4249 1 6 . 1 1 92 92 HIS H H 92 7.977 7.977 7.922 0.055 11451 4250 1 6 . 1 1 93 93 SER N N 93 108.425 108.425 114.588 -6.163 11451 4251 1 6 . 1 1 93 93 SER HA H 93 4.380 4.380 4.606 -0.226 11451 4252 1 6 . 1 1 93 93 SER CA C 93 57.696 57.696 57.920 -0.224 11451 4253 1 6 . 1 1 93 93 SER CB C 93 65.924 65.924 63.922 2.002 11451 4254 1 6 . 1 1 93 93 SER H H 93 6.374 6.374 7.630 -1.256 11451 4255 1 6 . 1 1 94 94 ALA N N 94 130.109 130.109 125.738 4.371 11451 4256 1 6 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.101 -0.825 11451 4257 1 6 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.090 3.083 11451 4258 1 6 . 1 1 94 94 ALA CB C 94 20.366 20.366 19.530 0.836 11451 4259 1 6 . 1 1 94 94 ALA H H 94 8.543 8.543 7.414 1.129 11451 4260 1 6 . 1 1 95 95 THR N N 95 110.794 110.794 117.109 -6.315 11451 4261 1 6 . 1 1 95 95 THR HA H 95 4.722 4.722 4.473 0.249 11451 4262 1 6 . 1 1 95 95 THR CA C 95 59.725 59.725 63.451 -3.726 11451 4263 1 6 . 1 1 95 95 THR CB C 95 70.157 70.157 69.571 0.586 11451 4264 1 6 . 1 1 95 95 THR H H 95 8.925 8.925 8.136 0.789 11451 4265 1 6 . 1 1 96 96 ALA N N 96 121.615 121.615 121.131 0.484 11451 4266 1 6 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.656 -0.229 11451 4267 1 6 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.227 0.309 11451 4268 1 6 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.923 3.293 11451 4269 1 6 . 1 1 96 96 ALA H H 96 7.954 7.954 8.159 -0.205 11451 4270 1 6 . 1 1 97 97 GLN N N 97 115.548 115.548 119.962 -4.414 11451 4271 1 6 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.897 -0.268 11451 4272 1 6 . 1 1 97 97 GLN CA C 97 57.388 57.388 56.334 1.054 11451 4273 1 6 . 1 1 97 97 GLN CB C 97 30.757 30.757 30.013 0.744 11451 4274 1 6 . 1 1 97 97 GLN H H 97 7.866 7.866 8.165 -0.299 11451 4275 1 6 . 1 1 98 98 PHE N N 98 117.593 117.593 118.731 -1.138 11451 4276 1 6 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.547 0.241 11451 4277 1 6 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.571 -0.916 11451 4278 1 6 . 1 1 98 98 PHE CB C 98 43.225 43.225 42.996 0.229 11451 4279 1 6 . 1 1 98 98 PHE H H 98 7.623 7.623 8.250 -0.627 11451 4280 1 6 . 1 1 99 99 PHE N N 99 116.226 116.226 114.361 1.865 11451 4281 1 6 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.264 0.468 11451 4282 1 6 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.591 -0.542 11451 4283 1 6 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.145 1.875 11451 4284 1 6 . 1 1 99 99 PHE H H 99 9.518 9.518 8.622 0.896 11451 4285 1 6 . 1 1 100 100 ILE N N 100 117.687 117.687 120.752 -3.065 11451 4286 1 6 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.792 0.035 11451 4287 1 6 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.218 -0.869 11451 4288 1 6 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.383 0.286 11451 4289 1 6 . 1 1 100 100 ILE H H 100 9.136 9.136 8.544 0.592 11451 4290 1 6 . 1 1 101 101 ASN N N 101 126.524 126.524 128.579 -2.055 11451 4291 1 6 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.727 -0.268 11451 4292 1 6 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.184 2.549 11451 4293 1 6 . 1 1 101 101 ASN CB C 101 39.926 39.926 37.624 2.302 11451 4294 1 6 . 1 1 101 101 ASN H H 101 8.877 8.877 9.120 -0.243 11451 4295 1 6 . 1 1 102 102 VAL N N 102 117.660 117.660 123.020 -5.360 11451 4296 1 6 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.947 0.464 11451 4297 1 6 . 1 1 102 102 VAL CA C 102 61.907 61.907 62.684 -0.777 11451 4298 1 6 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.398 -2.028 11451 4299 1 6 . 1 1 102 102 VAL H H 102 7.700 7.700 7.669 0.031 11451 4300 1 6 . 1 1 103 103 VAL N N 103 116.637 116.637 111.875 4.762 11451 4301 1 6 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.508 -0.155 11451 4302 1 6 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.682 0.977 11451 4303 1 6 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.366 1.144 11451 4304 1 6 . 1 1 103 103 VAL H H 103 7.753 7.753 7.110 0.643 11451 4305 1 6 . 1 1 104 104 ASP N N 104 118.510 118.510 122.905 -4.395 11451 4306 1 6 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.632 -0.377 11451 4307 1 6 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.320 0.180 11451 4308 1 6 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.071 -1.983 11451 4309 1 6 . 1 1 104 104 ASP H H 104 8.171 8.171 8.470 -0.299 11451 4310 1 6 . 1 1 105 105 ASN N N 105 128.132 128.132 123.029 5.103 11451 4311 1 6 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.796 0.283 11451 4312 1 6 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.236 -0.707 11451 4313 1 6 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.038 0.097 11451 4314 1 6 . 1 1 105 105 ASN H H 105 8.352 8.352 8.151 0.201 11451 4315 1 6 . 1 1 106 106 ASP N N 106 121.636 121.636 121.206 0.430 11451 4316 1 6 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.589 -0.318 11451 4317 1 6 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.349 0.438 11451 4318 1 6 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.501 -0.696 11451 4319 1 6 . 1 1 106 106 ASP H H 106 8.203 8.203 8.851 -0.648 11451 4320 1 6 . 1 1 107 107 PHE N N 107 114.525 114.525 116.220 -1.695 11451 4321 1 6 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.451 0.047 11451 4322 1 6 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.096 -1.700 11451 4323 1 6 . 1 1 107 107 PHE CB C 107 36.780 36.780 37.732 -0.952 11451 4324 1 6 . 1 1 107 107 PHE H H 107 7.388 7.388 7.687 -0.299 11451 4325 1 6 . 1 1 108 108 LEU N N 108 121.576 121.576 118.494 3.082 11451 4326 1 6 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.484 -0.018 11451 4327 1 6 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.357 -0.879 11451 4328 1 6 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.271 0.828 11451 4329 1 6 . 1 1 108 108 LEU H H 108 7.163 7.163 7.364 -0.201 11451 4330 1 6 . 1 1 109 109 ASN N N 109 116.121 116.121 117.744 -1.623 11451 4331 1 6 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.916 0.233 11451 4332 1 6 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.263 -0.293 11451 4333 1 6 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.179 -1.060 11451 4334 1 6 . 1 1 109 109 ASN H H 109 7.312 7.312 7.651 -0.339 11451 4335 1 6 . 1 1 110 110 PHE N N 110 124.182 124.182 119.524 4.658 11451 4336 1 6 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.811 -0.559 11451 4337 1 6 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.111 -0.056 11451 4338 1 6 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.314 -0.521 11451 4339 1 6 . 1 1 110 110 PHE H H 110 8.825 8.825 8.952 -0.127 11451 4340 1 6 . 1 1 111 111 SER N N 111 122.136 122.136 120.851 1.285 11451 4341 1 6 . 1 1 111 111 SER HA H 111 4.179 4.179 4.385 -0.206 11451 4342 1 6 . 1 1 111 111 SER CA C 111 57.521 57.521 57.788 -0.267 11451 4343 1 6 . 1 1 111 111 SER CB C 111 64.617 64.617 64.186 0.431 11451 4344 1 6 . 1 1 111 111 SER H H 111 9.456 9.456 8.174 1.282 11451 4345 1 6 . 1 1 112 112 GLY N N 112 110.435 110.435 107.677 2.758 11451 4346 1 6 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.636 0.741 11451 4347 1 6 . 1 1 112 112 GLY H H 112 5.514 5.514 7.031 -1.517 11451 4348 1 6 . 1 1 113 113 GLU N N 113 118.926 118.926 116.238 2.688 11451 4349 1 6 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.559 -0.912 11451 4350 1 6 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.136 -2.167 11451 4351 1 6 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.153 -2.490 11451 4352 1 6 . 1 1 113 113 GLU H H 113 7.862 7.862 7.957 -0.095 11451 4353 1 6 . 1 1 114 114 SER N N 114 119.323 119.323 114.867 4.456 11451 4354 1 6 . 1 1 114 114 SER HA H 114 4.625 4.625 4.700 -0.075 11451 4355 1 6 . 1 1 114 114 SER CA C 114 56.279 56.279 56.113 0.166 11451 4356 1 6 . 1 1 114 114 SER H H 114 7.621 7.621 7.834 -0.213 11451 4357 1 6 . 1 1 115 115 LEU N N 115 122.373 122.373 130.335 -7.962 11451 4358 1 6 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.074 0.043 11451 4359 1 6 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.188 1.772 11451 4360 1 6 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.832 -0.707 11451 4361 1 6 . 1 1 115 115 LEU H H 115 8.745 8.745 9.120 -0.375 11451 4362 1 6 . 1 1 116 116 GLN N N 116 114.490 114.490 116.411 -1.921 11451 4363 1 6 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.226 0.036 11451 4364 1 6 . 1 1 116 116 GLN CA C 116 57.127 57.127 57.063 0.064 11451 4365 1 6 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.306 -0.109 11451 4366 1 6 . 1 1 116 116 GLN H H 116 8.292 8.292 8.389 -0.097 11451 4367 1 6 . 1 1 117 117 GLY N N 117 109.729 109.729 109.304 0.425 11451 4368 1 6 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.831 0.710 11451 4369 1 6 . 1 1 117 117 GLY H H 117 7.832 7.832 8.227 -0.395 11451 4370 1 6 . 1 1 118 118 TRP N N 118 123.807 123.807 123.888 -0.081 11451 4371 1 6 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.887 -0.573 11451 4372 1 6 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.037 8.257 11451 4373 1 6 . 1 1 118 118 TRP CB C 118 30.167 30.167 27.980 2.187 11451 4374 1 6 . 1 1 118 118 TRP H H 118 7.801 7.801 7.940 -0.139 11451 4375 1 6 . 1 1 119 119 GLY N N 119 124.815 124.815 112.499 12.316 11451 4376 1 6 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.111 0.207 11451 4377 1 6 . 1 1 119 119 GLY H H 119 7.438 7.438 8.734 -1.296 11451 4378 1 6 . 1 1 120 120 TYR N N 120 119.720 119.720 117.909 1.811 11451 4379 1 6 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.046 0.156 11451 4380 1 6 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.056 0.263 11451 4381 1 6 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.534 -2.795 11451 4382 1 6 . 1 1 120 120 TYR H H 120 8.281 8.281 8.441 -0.160 11451 4383 1 6 . 1 1 121 121 CYS N N 121 126.117 126.117 122.547 3.570 11451 4384 1 6 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.724 -0.485 11451 4385 1 6 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.673 1.024 11451 4386 1 6 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.778 -0.768 11451 4387 1 6 . 1 1 121 121 CYS H H 121 9.818 9.818 9.326 0.492 11451 4388 1 6 . 1 1 122 122 VAL N N 122 106.168 106.168 130.282 -24.114 11451 4389 1 6 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.258 0.305 11451 4390 1 6 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.111 -0.461 11451 4391 1 6 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.689 0.790 11451 4392 1 6 . 1 1 122 122 VAL H H 122 9.382 9.382 8.993 0.389 11451 4393 1 6 . 1 1 123 123 PHE N N 123 118.398 118.398 125.206 -6.808 11451 4394 1 6 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.634 0.227 11451 4395 1 6 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.542 -2.603 11451 4396 1 6 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.564 2.076 11451 4397 1 6 . 1 1 123 123 PHE H H 123 7.842 7.842 8.327 -0.485 11451 4398 1 6 . 1 1 124 124 ALA N N 124 124.412 124.412 118.352 6.060 11451 4399 1 6 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.598 0.052 11451 4400 1 6 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.452 0.307 11451 4401 1 6 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.647 1.988 11451 4402 1 6 . 1 1 124 124 ALA H H 124 7.327 7.327 6.847 0.480 11451 4403 1 6 . 1 1 125 125 GLU N N 125 115.272 115.272 118.017 -2.745 11451 4404 1 6 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.702 0.069 11451 4405 1 6 . 1 1 125 125 GLU CA C 125 54.651 54.651 53.972 0.679 11451 4406 1 6 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.735 -0.965 11451 4407 1 6 . 1 1 125 125 GLU H H 125 8.223 8.223 8.059 0.164 11451 4408 1 6 . 1 1 126 126 VAL N N 126 123.948 123.948 121.937 2.011 11451 4409 1 6 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.960 -0.051 11451 4410 1 6 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.271 -0.006 11451 4411 1 6 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.341 -0.531 11451 4412 1 6 . 1 1 126 126 VAL H H 126 8.786 8.786 7.988 0.798 11451 4413 1 6 . 1 1 127 127 VAL N N 127 123.644 123.644 127.416 -3.772 11451 4414 1 6 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.180 0.170 11451 4415 1 6 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.426 -1.932 11451 4416 1 6 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.723 -0.241 11451 4417 1 6 . 1 1 127 127 VAL H H 127 9.096 9.096 8.913 0.183 11451 4418 1 6 . 1 1 128 128 ASP N N 128 121.165 121.165 118.936 2.229 11451 4419 1 6 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.818 0.104 11451 4420 1 6 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.758 0.644 11451 4421 1 6 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.189 -1.140 11451 4422 1 6 . 1 1 128 128 ASP H H 128 7.719 7.719 7.718 0.001 11451 4423 1 6 . 1 1 129 129 GLY N N 129 110.821 110.821 109.013 1.808 11451 4424 1 6 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.721 0.041 11451 4425 1 6 . 1 1 129 129 GLY H H 129 8.276 8.276 8.935 -0.659 11451 4426 1 6 . 1 1 130 130 MET N N 130 122.991 122.991 120.887 2.104 11451 4427 1 6 . 1 1 130 130 MET HA H 130 4.468 4.468 4.238 0.230 11451 4428 1 6 . 1 1 130 130 MET CA C 130 55.953 55.953 57.130 -1.177 11451 4429 1 6 . 1 1 130 130 MET CB C 130 28.771 28.771 31.179 -2.408 11451 4430 1 6 . 1 1 130 130 MET H H 130 8.945 8.945 8.461 0.484 11451 4431 1 6 . 1 1 131 131 ASP N N 131 117.183 117.183 118.472 -1.289 11451 4432 1 6 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.418 -0.173 11451 4433 1 6 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.602 -0.963 11451 4434 1 6 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.376 -1.698 11451 4435 1 6 . 1 1 131 131 ASP H H 131 8.924 8.924 8.717 0.207 11451 4436 1 6 . 1 1 132 132 VAL N N 132 124.340 124.340 119.983 4.357 11451 4437 1 6 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.793 -0.354 11451 4438 1 6 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.672 0.343 11451 4439 1 6 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.788 -1.007 11451 4440 1 6 . 1 1 132 132 VAL H H 132 7.222 7.222 7.616 -0.394 11451 4441 1 6 . 1 1 133 133 VAL N N 133 121.730 121.730 120.591 1.139 11451 4442 1 6 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.416 -0.398 11451 4443 1 6 . 1 1 133 133 VAL CA C 133 67.076 67.076 67.169 -0.093 11451 4444 1 6 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.447 -0.627 11451 4445 1 6 . 1 1 133 133 VAL H H 133 7.367 7.367 8.095 -0.728 11451 4446 1 6 . 1 1 134 134 ASP N N 134 117.555 117.555 117.930 -0.375 11451 4447 1 6 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.316 -0.066 11451 4448 1 6 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.828 -0.565 11451 4449 1 6 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.053 -1.241 11451 4450 1 6 . 1 1 134 134 ASP H H 134 8.411 8.411 8.297 0.114 11451 4451 1 6 . 1 1 135 135 LYS N N 135 122.646 122.646 119.143 3.503 11451 4452 1 6 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.109 -0.108 11451 4453 1 6 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.209 0.699 11451 4454 1 6 . 1 1 135 135 LYS CB C 135 32.010 32.010 31.991 0.019 11451 4455 1 6 . 1 1 135 135 LYS H H 135 7.418 7.418 7.085 0.333 11451 4456 1 6 . 1 1 136 136 ILE N N 136 121.613 121.613 117.802 3.811 11451 4457 1 6 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.573 -0.511 11451 4458 1 6 . 1 1 136 136 ILE CA C 136 65.307 65.307 65.302 0.005 11451 4459 1 6 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.801 -0.502 11451 4460 1 6 . 1 1 136 136 ILE H H 136 8.075 8.075 8.243 -0.168 11451 4461 1 6 . 1 1 137 137 LYS N N 137 113.499 113.499 115.304 -1.805 11451 4462 1 6 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.231 -0.487 11451 4463 1 6 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.420 0.468 11451 4464 1 6 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.403 -1.048 11451 4465 1 6 . 1 1 137 137 LYS H H 137 7.976 7.976 7.479 0.497 11451 4466 1 6 . 1 1 138 138 GLY N N 138 104.829 104.829 107.660 -2.831 11451 4467 1 6 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.479 -1.298 11451 4468 1 6 . 1 1 138 138 GLY H H 138 6.858 6.858 7.513 -0.655 11451 4469 1 6 . 1 1 139 139 VAL N N 139 116.189 116.189 120.361 -4.172 11451 4470 1 6 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.938 0.145 11451 4471 1 6 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.365 -2.622 11451 4472 1 6 . 1 1 139 139 VAL CB C 139 32.850 32.850 32.499 0.351 11451 4473 1 6 . 1 1 139 139 VAL H H 139 7.220 7.220 7.803 -0.583 11451 4474 1 6 . 1 1 140 140 ALA N N 140 123.097 123.097 118.847 4.250 11451 4475 1 6 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.566 -0.284 11451 4476 1 6 . 1 1 140 140 ALA CA C 140 52.850 52.850 51.994 0.856 11451 4477 1 6 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.232 -1.859 11451 4478 1 6 . 1 1 140 140 ALA H H 140 8.262 8.262 7.857 0.405 11451 4479 1 6 . 1 1 141 141 THR N N 141 113.326 113.326 112.331 0.995 11451 4480 1 6 . 1 1 141 141 THR HA H 141 4.925 4.925 4.537 0.388 11451 4481 1 6 . 1 1 141 141 THR CA C 141 59.382 59.382 61.064 -1.682 11451 4482 1 6 . 1 1 141 141 THR CB C 141 73.286 73.286 71.391 1.895 11451 4483 1 6 . 1 1 141 141 THR H H 141 8.278 8.278 8.200 0.078 11451 4484 1 6 . 1 1 142 142 GLY N N 142 107.299 107.299 110.265 -2.966 11451 4485 1 6 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.651 -0.479 11451 4486 1 6 . 1 1 142 142 GLY H H 142 8.484 8.484 8.325 0.159 11451 4487 1 6 . 1 1 143 143 ARG N N 143 120.230 120.230 121.908 -1.678 11451 4488 1 6 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.258 0.539 11451 4489 1 6 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.600 -1.400 11451 4490 1 6 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.779 0.572 11451 4491 1 6 . 1 1 143 143 ARG H H 143 8.185 8.185 8.291 -0.106 11451 4492 1 6 . 1 1 144 144 SER N N 144 119.429 119.429 119.259 0.170 11451 4493 1 6 . 1 1 144 144 SER HA H 144 4.466 4.466 4.689 -0.223 11451 4494 1 6 . 1 1 144 144 SER CA C 144 56.856 56.856 57.511 -0.655 11451 4495 1 6 . 1 1 144 144 SER CB C 144 63.174 63.174 63.995 -0.820 11451 4496 1 6 . 1 1 144 144 SER H H 144 8.427 8.427 8.623 -0.196 11451 4497 1 6 . 1 1 145 145 GLY N N 145 117.736 117.736 115.813 1.923 11451 4498 1 6 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.370 0.316 11451 4499 1 6 . 1 1 145 145 GLY H H 145 8.902 8.902 8.759 0.143 11451 4500 1 6 . 1 1 146 146 MET N N 146 125.723 125.723 124.259 1.464 11451 4501 1 6 . 1 1 146 146 MET HA H 146 4.315 4.315 4.364 -0.049 11451 4502 1 6 . 1 1 146 146 MET CA C 146 55.431 55.431 56.001 -0.570 11451 4503 1 6 . 1 1 146 146 MET H H 146 8.827 8.827 8.287 0.540 11451 4504 1 6 . 1 1 147 147 HIS N N 147 121.581 121.581 118.425 3.156 11451 4505 1 6 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.768 -0.344 11451 4506 1 6 . 1 1 147 147 HIS CA C 147 56.075 56.075 54.935 1.140 11451 4507 1 6 . 1 1 147 147 HIS CB C 147 31.593 31.593 30.032 1.560 11451 4508 1 6 . 1 1 147 147 HIS H H 147 8.010 8.010 7.811 0.199 11451 4509 1 6 . 1 1 148 148 GLN N N 148 121.305 121.305 124.221 -2.916 11451 4510 1 6 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.479 -0.009 11451 4511 1 6 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.399 -0.935 11451 4512 1 6 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.411 1.280 11451 4513 1 6 . 1 1 148 148 GLN H H 148 8.681 8.681 8.840 -0.159 11451 4514 1 6 . 1 1 149 149 ASP N N 149 117.085 117.085 117.599 -0.514 11451 4515 1 6 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.396 0.083 11451 4516 1 6 . 1 1 149 149 ASP H H 149 8.635 8.635 8.841 -0.206 11451 4517 1 6 . 1 1 150 150 VAL N N 150 120.313 120.313 112.770 7.543 11451 4518 1 6 . 1 1 150 150 VAL HA H 150 4.379 4.379 5.018 -0.639 11451 4519 1 6 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.825 0.342 11451 4520 1 6 . 1 1 150 150 VAL CB C 150 33.080 33.080 32.623 0.457 11451 4521 1 6 . 1 1 150 150 VAL H H 150 8.470 8.470 7.656 0.814 11451 4522 1 6 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.510 -0.096 11451 4523 1 6 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.589 1.347 11451 4524 1 6 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.564 -0.388 11451 4525 1 6 . 1 1 152 152 LYS N N 152 125.675 125.675 120.190 5.485 11451 4526 1 6 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.224 -0.353 11451 4527 1 6 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.358 1.243 11451 4528 1 6 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.699 -0.914 11451 4529 1 6 . 1 1 152 152 LYS H H 152 8.169 8.169 8.464 -0.295 11451 4530 1 6 . 1 1 153 153 GLU N N 153 119.081 119.081 121.253 -2.172 11451 4531 1 6 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.326 0.069 11451 4532 1 6 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.314 -1.098 11451 4533 1 6 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.576 0.162 11451 4534 1 6 . 1 1 153 153 GLU H H 153 7.960 7.960 8.113 -0.153 11451 4535 1 6 . 1 1 154 154 ASP N N 154 121.884 121.884 121.638 0.246 11451 4536 1 6 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.556 -0.324 11451 4537 1 6 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.891 2.209 11451 4538 1 6 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.421 0.119 11451 4539 1 6 . 1 1 154 154 ASP H H 154 8.149 8.149 8.597 -0.448 11451 4540 1 6 . 1 1 155 155 VAL N N 155 129.777 129.777 124.810 4.967 11451 4541 1 6 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.402 0.037 11451 4542 1 6 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.648 0.663 11451 4543 1 6 . 1 1 155 155 VAL CB C 155 31.469 31.469 31.546 -0.077 11451 4544 1 6 . 1 1 155 155 VAL H H 155 10.043 10.043 8.326 1.717 11451 4545 1 6 . 1 1 156 156 ILE N N 156 125.807 125.807 125.424 0.383 11451 4546 1 6 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.127 -0.715 11451 4547 1 6 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.980 1.704 11451 4548 1 6 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.352 0.562 11451 4549 1 6 . 1 1 156 156 ILE H H 156 8.252 8.252 9.232 -0.981 11451 4550 1 6 . 1 1 157 157 ILE N N 157 126.581 126.581 124.465 2.116 11451 4551 1 6 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.335 -0.656 11451 4552 1 6 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.548 0.957 11451 4553 1 6 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.981 -0.609 11451 4554 1 6 . 1 1 157 157 ILE H H 157 9.168 9.168 8.940 0.228 11451 4555 1 6 . 1 1 158 158 GLU N N 158 130.185 130.185 128.827 1.358 11451 4556 1 6 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.228 -0.188 11451 4557 1 6 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.945 -0.039 11451 4558 1 6 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.681 -0.683 11451 4559 1 6 . 1 1 158 158 GLU H H 158 8.910 8.910 8.721 0.189 11451 4560 1 6 . 1 1 159 159 SER N N 159 108.037 108.037 111.197 -3.160 11451 4561 1 6 . 1 1 159 159 SER HA H 159 4.399 4.399 4.896 -0.497 11451 4562 1 6 . 1 1 159 159 SER CA C 159 57.505 57.505 57.317 0.188 11451 4563 1 6 . 1 1 159 159 SER CB C 159 64.403 64.403 64.847 -0.444 11451 4564 1 6 . 1 1 159 159 SER H H 159 7.772 7.772 8.304 -0.532 11451 4565 1 6 . 1 1 160 160 VAL N N 160 119.790 119.790 120.705 -0.915 11451 4566 1 6 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.163 0.012 11451 4567 1 6 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.167 -0.602 11451 4568 1 6 . 1 1 160 160 VAL CB C 160 35.015 35.015 36.228 -1.213 11451 4569 1 6 . 1 1 160 160 VAL H H 160 7.681 7.681 8.316 -0.635 11451 4570 1 6 . 1 1 161 161 THR N N 161 122.628 122.628 122.234 0.394 11451 4571 1 6 . 1 1 161 161 THR HA H 161 4.662 4.662 4.746 -0.084 11451 4572 1 6 . 1 1 161 161 THR CA C 161 61.452 61.452 61.203 0.249 11451 4573 1 6 . 1 1 161 161 THR CB C 161 70.781 70.781 71.735 -0.954 11451 4574 1 6 . 1 1 161 161 THR H H 161 8.817 8.817 9.023 -0.206 11451 4575 1 6 . 1 1 162 162 VAL N N 162 129.304 129.304 127.043 2.261 11451 4576 1 6 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.406 0.081 11451 4577 1 6 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.450 -0.693 11451 4578 1 6 . 1 1 162 162 VAL CB C 162 32.482 32.482 31.964 0.518 11451 4579 1 6 . 1 1 162 162 VAL H H 162 9.075 9.075 8.607 0.468 11451 4580 1 6 . 1 1 163 163 SER N N 163 123.979 123.979 123.882 0.097 11451 4581 1 6 . 1 1 163 163 SER HA H 163 4.601 4.601 4.748 -0.147 11451 4582 1 6 . 1 1 163 163 SER CA C 163 57.521 57.521 56.528 0.993 11451 4583 1 6 . 1 1 163 163 SER CB C 163 64.409 64.409 64.802 -0.393 11451 4584 1 6 . 1 1 163 163 SER H H 163 8.727 8.727 8.664 0.063 11451 4585 1 7 . 1 1 2 2 VAL N N 2 123.776 123.776 120.926 2.850 11451 4586 1 7 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.740 0.035 11451 4587 1 7 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.731 0.293 11451 4588 1 7 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.898 0.233 11451 4589 1 7 . 1 1 2 2 VAL H H 2 8.961 8.961 8.864 0.097 11451 4590 1 7 . 1 1 3 3 THR N N 3 121.749 121.749 123.701 -1.952 11451 4591 1 7 . 1 1 3 3 THR HA H 3 5.053 5.053 4.895 0.158 11451 4592 1 7 . 1 1 3 3 THR CA C 3 61.176 61.176 61.682 -0.506 11451 4593 1 7 . 1 1 3 3 THR CB C 3 70.356 70.356 69.793 0.563 11451 4594 1 7 . 1 1 3 3 THR H H 3 8.912 8.912 9.102 -0.190 11451 4595 1 7 . 1 1 4 4 PHE N N 4 125.726 125.726 126.628 -0.902 11451 4596 1 7 . 1 1 4 4 PHE HA H 4 4.795 4.795 5.025 -0.230 11451 4597 1 7 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.078 -1.067 11451 4598 1 7 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.184 -1.463 11451 4599 1 7 . 1 1 4 4 PHE H H 4 9.442 9.442 9.150 0.292 11451 4600 1 7 . 1 1 5 5 HIS N N 5 125.337 125.337 123.931 1.406 11451 4601 1 7 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.073 0.276 11451 4602 1 7 . 1 1 5 5 HIS CA C 5 54.308 54.308 54.964 -0.656 11451 4603 1 7 . 1 1 5 5 HIS CB C 5 26.517 26.517 29.957 -3.440 11451 4604 1 7 . 1 1 5 5 HIS H H 5 8.897 8.897 9.545 -0.648 11451 4605 1 7 . 1 1 6 6 THR N N 6 115.752 115.752 116.967 -1.215 11451 4606 1 7 . 1 1 6 6 THR HA H 6 6.126 6.126 5.113 1.013 11451 4607 1 7 . 1 1 6 6 THR CA C 6 60.220 60.220 59.207 1.013 11451 4608 1 7 . 1 1 6 6 THR CB C 6 72.515 72.515 71.438 1.077 11451 4609 1 7 . 1 1 6 6 THR H H 6 7.881 7.881 8.226 -0.345 11451 4610 1 7 . 1 1 7 7 ASN N N 7 119.451 119.451 124.290 -4.839 11451 4611 1 7 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.547 0.028 11451 4612 1 7 . 1 1 7 7 ASN CA C 7 54.493 54.493 55.074 -0.581 11451 4613 1 7 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.043 -2.709 11451 4614 1 7 . 1 1 7 7 ASN H H 7 9.334 9.334 9.019 0.315 11451 4615 1 7 . 1 1 8 8 HIS N N 8 118.490 118.490 117.053 1.437 11451 4616 1 7 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.757 -0.266 11451 4617 1 7 . 1 1 8 8 HIS CA C 8 56.790 56.790 56.914 -0.124 11451 4618 1 7 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.199 1.435 11451 4619 1 7 . 1 1 8 8 HIS H H 8 8.663 8.663 7.637 1.026 11451 4620 1 7 . 1 1 9 9 GLY N N 9 108.550 108.550 106.496 2.054 11451 4621 1 7 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.441 -0.841 11451 4622 1 7 . 1 1 9 9 GLY H H 9 7.320 7.320 7.642 -0.322 11451 4623 1 7 . 1 1 10 10 ASP N N 10 123.900 123.900 121.417 2.483 11451 4624 1 7 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.277 0.343 11451 4625 1 7 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.623 -0.313 11451 4626 1 7 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.900 -0.400 11451 4627 1 7 . 1 1 10 10 ASP H H 10 8.857 8.857 8.481 0.376 11451 4628 1 7 . 1 1 11 11 ILE N N 11 121.150 121.150 123.476 -2.326 11451 4629 1 7 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.601 -0.265 11451 4630 1 7 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.214 1.062 11451 4631 1 7 . 1 1 11 11 ILE CB C 11 41.659 41.659 41.962 -0.303 11451 4632 1 7 . 1 1 11 11 ILE H H 11 8.638 8.638 8.845 -0.207 11451 4633 1 7 . 1 1 12 12 VAL N N 12 129.487 129.487 125.236 4.251 11451 4634 1 7 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.677 -0.146 11451 4635 1 7 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.776 1.534 11451 4636 1 7 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.517 -2.275 11451 4637 1 7 . 1 1 12 12 VAL H H 12 8.771 8.771 8.852 -0.081 11451 4638 1 7 . 1 1 13 13 ILE N N 13 127.702 127.702 126.522 1.180 11451 4639 1 7 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.780 -0.110 11451 4640 1 7 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.413 0.325 11451 4641 1 7 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.405 0.154 11451 4642 1 7 . 1 1 13 13 ILE H H 13 9.527 9.527 9.032 0.495 11451 4643 1 7 . 1 1 14 14 LYS N N 14 126.574 126.574 126.260 0.314 11451 4644 1 7 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.624 0.153 11451 4645 1 7 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.544 -0.702 11451 4646 1 7 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.152 0.348 11451 4647 1 7 . 1 1 14 14 LYS H H 14 8.684 8.684 8.742 -0.058 11451 4648 1 7 . 1 1 15 15 THR N N 15 113.811 113.811 117.631 -3.820 11451 4649 1 7 . 1 1 15 15 THR HA H 15 4.130 4.130 4.314 -0.184 11451 4650 1 7 . 1 1 15 15 THR CA C 15 59.806 59.806 60.634 -0.828 11451 4651 1 7 . 1 1 15 15 THR CB C 15 69.319 69.319 69.766 -0.448 11451 4652 1 7 . 1 1 15 15 THR H H 15 8.343 8.343 8.401 -0.058 11451 4653 1 7 . 1 1 16 16 PHE N N 16 122.611 122.611 124.134 -1.523 11451 4654 1 7 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.757 0.518 11451 4655 1 7 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.708 -1.417 11451 4656 1 7 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.855 -0.485 11451 4657 1 7 . 1 1 16 16 PHE H H 16 8.315 8.315 8.946 -0.631 11451 4658 1 7 . 1 1 17 17 ASP N N 17 120.182 120.182 122.412 -2.230 11451 4659 1 7 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.572 -0.810 11451 4660 1 7 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.558 0.400 11451 4661 1 7 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.832 -1.883 11451 4662 1 7 . 1 1 17 17 ASP H H 17 9.106 9.106 8.065 1.041 11451 4663 1 7 . 1 1 18 18 ASP N N 18 111.686 111.686 117.412 -5.726 11451 4664 1 7 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.537 -0.162 11451 4665 1 7 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.190 -1.167 11451 4666 1 7 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.853 -1.090 11451 4667 1 7 . 1 1 18 18 ASP H H 18 8.584 8.584 8.651 -0.067 11451 4668 1 7 . 1 1 19 19 LYS N N 19 118.003 118.003 117.084 0.919 11451 4669 1 7 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.435 0.001 11451 4670 1 7 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.808 -0.421 11451 4671 1 7 . 1 1 19 19 LYS CB C 19 33.867 33.867 34.098 -0.231 11451 4672 1 7 . 1 1 19 19 LYS H H 19 7.333 7.333 7.608 -0.275 11451 4673 1 7 . 1 1 20 20 ALA N N 20 123.657 123.657 121.687 1.970 11451 4674 1 7 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.032 -0.414 11451 4675 1 7 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.795 -0.678 11451 4676 1 7 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.900 -0.665 11451 4677 1 7 . 1 1 20 20 ALA H H 20 7.560 7.560 8.270 -0.710 11451 4678 1 7 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.267 0.157 11451 4679 1 7 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.670 0.607 11451 4680 1 7 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.904 -0.396 11451 4681 1 7 . 1 1 22 22 GLU N N 22 122.557 122.557 118.357 4.200 11451 4682 1 7 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.150 -0.138 11451 4683 1 7 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.223 0.401 11451 4684 1 7 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.953 -0.473 11451 4685 1 7 . 1 1 22 22 GLU H H 22 9.855 9.855 8.111 1.744 11451 4686 1 7 . 1 1 23 23 THR N N 23 122.201 122.201 117.718 4.483 11451 4687 1 7 . 1 1 23 23 THR HA H 23 3.584 3.584 4.084 -0.500 11451 4688 1 7 . 1 1 23 23 THR CA C 23 66.554 66.554 67.224 -0.670 11451 4689 1 7 . 1 1 23 23 THR CB C 23 67.614 67.614 68.776 -1.162 11451 4690 1 7 . 1 1 23 23 THR H H 23 9.390 9.390 8.761 0.629 11451 4691 1 7 . 1 1 24 24 VAL N N 24 125.111 125.111 121.548 3.563 11451 4692 1 7 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.895 -0.410 11451 4693 1 7 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.947 1.360 11451 4694 1 7 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.223 -0.334 11451 4695 1 7 . 1 1 24 24 VAL H H 24 9.359 9.359 8.575 0.784 11451 4696 1 7 . 1 1 25 25 LYS N N 25 121.050 121.050 120.454 0.596 11451 4697 1 7 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.973 -0.105 11451 4698 1 7 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.374 0.865 11451 4699 1 7 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.943 -0.246 11451 4700 1 7 . 1 1 25 25 LYS H H 25 7.686 7.686 8.494 -0.808 11451 4701 1 7 . 1 1 26 26 ASN N N 26 116.337 116.337 117.892 -1.555 11451 4702 1 7 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.429 -0.373 11451 4703 1 7 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.226 0.333 11451 4704 1 7 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.428 2.264 11451 4705 1 7 . 1 1 26 26 ASN H H 26 7.535 7.535 7.996 -0.461 11451 4706 1 7 . 1 1 27 27 PHE N N 27 119.858 119.858 121.497 -1.639 11451 4707 1 7 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.465 0.074 11451 4708 1 7 . 1 1 27 27 PHE CA C 27 60.933 60.933 60.944 -0.011 11451 4709 1 7 . 1 1 27 27 PHE CB C 27 39.831 39.831 38.971 0.860 11451 4710 1 7 . 1 1 27 27 PHE H H 27 7.867 7.867 8.325 -0.458 11451 4711 1 7 . 1 1 28 28 LEU N N 28 120.761 120.761 119.607 1.154 11451 4712 1 7 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.677 0.066 11451 4713 1 7 . 1 1 28 28 LEU CA C 28 57.868 57.868 57.932 -0.064 11451 4714 1 7 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.291 -0.037 11451 4715 1 7 . 1 1 28 28 LEU H H 28 9.377 9.377 8.671 0.706 11451 4716 1 7 . 1 1 29 29 ASP N N 29 121.607 121.607 119.526 2.081 11451 4717 1 7 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.292 0.003 11451 4718 1 7 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.674 0.155 11451 4719 1 7 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.359 -1.333 11451 4720 1 7 . 1 1 29 29 ASP H H 29 8.374 8.374 8.516 -0.142 11451 4721 1 7 . 1 1 30 30 TYR N N 30 118.959 118.959 119.440 -0.481 11451 4722 1 7 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.329 -0.324 11451 4723 1 7 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.705 0.042 11451 4724 1 7 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.356 -0.617 11451 4725 1 7 . 1 1 30 30 TYR H H 30 7.287 7.287 7.749 -0.462 11451 4726 1 7 . 1 1 31 31 CYS N N 31 116.202 116.202 118.239 -2.037 11451 4727 1 7 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.236 -0.202 11451 4728 1 7 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.588 0.815 11451 4729 1 7 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.302 -0.081 11451 4730 1 7 . 1 1 31 31 CYS H H 31 8.336 8.336 8.243 0.093 11451 4731 1 7 . 1 1 32 32 ARG N N 32 121.949 121.949 120.592 1.357 11451 4732 1 7 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.116 -0.254 11451 4733 1 7 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.582 1.137 11451 4734 1 7 . 1 1 32 32 ARG CB C 32 30.374 30.374 29.950 0.424 11451 4735 1 7 . 1 1 32 32 ARG H H 32 9.077 9.077 8.290 0.787 11451 4736 1 7 . 1 1 33 33 GLU N N 33 116.667 116.667 117.069 -0.402 11451 4737 1 7 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.378 -0.191 11451 4738 1 7 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.343 0.105 11451 4739 1 7 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.804 -0.546 11451 4740 1 7 . 1 1 33 33 GLU H H 33 7.920 7.920 7.683 0.237 11451 4741 1 7 . 1 1 34 34 GLY N N 34 107.273 107.273 106.619 0.654 11451 4742 1 7 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.260 0.138 11451 4743 1 7 . 1 1 34 34 GLY H H 34 7.533 7.533 7.587 -0.054 11451 4744 1 7 . 1 1 35 35 PHE N N 35 122.134 122.134 121.396 0.738 11451 4745 1 7 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.249 -0.584 11451 4746 1 7 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.476 2.129 11451 4747 1 7 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.586 0.484 11451 4748 1 7 . 1 1 35 35 PHE H H 35 8.129 8.129 8.556 -0.427 11451 4749 1 7 . 1 1 36 36 TYR N N 36 111.250 111.250 115.851 -4.601 11451 4750 1 7 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.394 -0.070 11451 4751 1 7 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.215 -0.537 11451 4752 1 7 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.673 -1.213 11451 4753 1 7 . 1 1 36 36 TYR H H 36 7.355 7.355 8.406 -1.051 11451 4754 1 7 . 1 1 37 37 ASN N N 37 121.890 121.890 119.608 2.282 11451 4755 1 7 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.565 -0.740 11451 4756 1 7 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.889 -0.710 11451 4757 1 7 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.934 -3.079 11451 4758 1 7 . 1 1 37 37 ASN H H 37 7.106 7.106 7.604 -0.498 11451 4759 1 7 . 1 1 38 38 ASN N N 38 121.572 121.572 120.037 1.535 11451 4760 1 7 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.435 -0.387 11451 4761 1 7 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.482 0.238 11451 4762 1 7 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.824 0.714 11451 4763 1 7 . 1 1 38 38 ASN H H 38 9.235 9.235 8.602 0.633 11451 4764 1 7 . 1 1 39 39 THR N N 39 104.540 104.540 107.622 -3.082 11451 4765 1 7 . 1 1 39 39 THR HA H 39 5.006 5.006 5.275 -0.269 11451 4766 1 7 . 1 1 39 39 THR CA C 39 59.979 59.979 60.004 -0.025 11451 4767 1 7 . 1 1 39 39 THR CB C 39 72.789 72.789 71.077 1.712 11451 4768 1 7 . 1 1 39 39 THR H H 39 7.328 7.328 7.409 -0.081 11451 4769 1 7 . 1 1 40 40 ILE N N 40 108.904 108.904 114.649 -5.745 11451 4770 1 7 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.127 0.542 11451 4771 1 7 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.596 0.204 11451 4772 1 7 . 1 1 40 40 ILE CB C 40 39.724 39.724 42.139 -2.416 11451 4773 1 7 . 1 1 40 40 ILE H H 40 7.943 7.943 8.349 -0.406 11451 4774 1 7 . 1 1 41 41 PHE N N 41 122.068 122.068 123.110 -1.042 11451 4775 1 7 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.525 0.435 11451 4776 1 7 . 1 1 41 41 PHE CA C 41 58.817 58.817 58.038 0.779 11451 4777 1 7 . 1 1 41 41 PHE CB C 41 37.410 37.410 37.407 0.003 11451 4778 1 7 . 1 1 41 41 PHE H H 41 8.289 8.289 8.496 -0.207 11451 4779 1 7 . 1 1 42 42 HIS N N 42 121.477 121.477 117.845 3.632 11451 4780 1 7 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.301 -0.025 11451 4781 1 7 . 1 1 42 42 HIS CA C 42 56.598 56.598 57.006 -0.408 11451 4782 1 7 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.469 1.194 11451 4783 1 7 . 1 1 42 42 HIS H H 42 7.862 7.862 7.844 0.018 11451 4784 1 7 . 1 1 43 43 ARG N N 43 123.403 123.403 117.351 6.052 11451 4785 1 7 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.621 -0.005 11451 4786 1 7 . 1 1 43 43 ARG CA C 43 55.318 55.318 55.288 0.030 11451 4787 1 7 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.543 -1.268 11451 4788 1 7 . 1 1 43 43 ARG H H 43 6.933 6.933 7.282 -0.349 11451 4789 1 7 . 1 1 44 44 VAL N N 44 129.359 129.359 123.321 6.038 11451 4790 1 7 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.908 -0.768 11451 4791 1 7 . 1 1 44 44 VAL CA C 44 62.374 62.374 59.912 2.462 11451 4792 1 7 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.812 -0.621 11451 4793 1 7 . 1 1 44 44 VAL H H 44 9.023 9.023 8.417 0.606 11451 4794 1 7 . 1 1 45 45 ILE N N 45 126.532 126.532 126.956 -0.424 11451 4795 1 7 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.401 -0.165 11451 4796 1 7 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.627 0.837 11451 4797 1 7 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.942 -1.992 11451 4798 1 7 . 1 1 45 45 ILE H H 45 8.243 8.243 7.838 0.405 11451 4799 1 7 . 1 1 46 46 ASN N N 46 128.015 128.015 127.373 0.642 11451 4800 1 7 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.558 -0.397 11451 4801 1 7 . 1 1 46 46 ASN CA C 46 54.341 54.341 55.022 -0.681 11451 4802 1 7 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.656 -1.982 11451 4803 1 7 . 1 1 46 46 ASN H H 46 9.127 9.127 8.903 0.224 11451 4804 1 7 . 1 1 47 47 GLY N N 47 110.314 110.314 108.568 1.746 11451 4805 1 7 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.710 -0.080 11451 4806 1 7 . 1 1 47 47 GLY H H 47 7.542 7.542 8.882 -1.340 11451 4807 1 7 . 1 1 48 48 PHE N N 48 116.701 116.701 117.920 -1.219 11451 4808 1 7 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.832 0.310 11451 4809 1 7 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.129 1.371 11451 4810 1 7 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.379 -3.051 11451 4811 1 7 . 1 1 48 48 PHE H H 48 7.800 7.800 7.706 0.094 11451 4812 1 7 . 1 1 49 49 MET N N 49 117.710 117.710 117.974 -0.264 11451 4813 1 7 . 1 1 49 49 MET HA H 49 5.027 5.027 4.488 0.539 11451 4814 1 7 . 1 1 49 49 MET CA C 49 55.009 55.009 53.388 1.621 11451 4815 1 7 . 1 1 49 49 MET CB C 49 35.120 35.120 33.088 2.032 11451 4816 1 7 . 1 1 49 49 MET H H 49 8.363 8.363 6.935 1.428 11451 4817 1 7 . 1 1 50 50 ILE N N 50 110.774 110.774 112.976 -2.202 11451 4818 1 7 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.918 -0.051 11451 4819 1 7 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.344 0.391 11451 4820 1 7 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.414 -0.153 11451 4821 1 7 . 1 1 50 50 ILE H H 50 7.749 7.749 7.704 0.045 11451 4822 1 7 . 1 1 51 51 GLN N N 51 127.997 127.997 125.233 2.764 11451 4823 1 7 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.007 0.194 11451 4824 1 7 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.713 0.339 11451 4825 1 7 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.922 -1.238 11451 4826 1 7 . 1 1 51 51 GLN H H 51 9.198 9.198 8.739 0.459 11451 4827 1 7 . 1 1 52 52 GLY N N 52 111.413 111.413 107.821 3.592 11451 4828 1 7 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.240 1.053 11451 4829 1 7 . 1 1 52 52 GLY H H 52 8.037 8.037 8.428 -0.391 11451 4830 1 7 . 1 1 53 53 GLY N N 53 106.177 106.177 106.407 -0.230 11451 4831 1 7 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.136 -0.059 11451 4832 1 7 . 1 1 53 53 GLY H H 53 8.334 8.334 8.116 0.218 11451 4833 1 7 . 1 1 54 54 GLY N N 54 129.939 129.939 106.282 23.657 11451 4834 1 7 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.523 -0.111 11451 4835 1 7 . 1 1 54 54 GLY H H 54 9.068 9.068 7.861 1.207 11451 4836 1 7 . 1 1 55 55 PHE N N 55 121.195 121.195 116.508 4.687 11451 4837 1 7 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.919 -0.032 11451 4838 1 7 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.124 0.574 11451 4839 1 7 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.376 -0.530 11451 4840 1 7 . 1 1 55 55 PHE H H 55 9.329 9.329 7.363 1.966 11451 4841 1 7 . 1 1 56 56 GLU N N 56 120.126 120.126 119.957 0.169 11451 4842 1 7 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.037 -0.189 11451 4843 1 7 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.682 0.517 11451 4844 1 7 . 1 1 56 56 GLU CB C 56 29.452 29.452 29.913 -0.461 11451 4845 1 7 . 1 1 56 56 GLU H H 56 8.531 8.531 8.154 0.377 11451 4846 1 7 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.333 -0.343 11451 4847 1 7 . 1 1 57 57 PRO CA C 57 64.863 64.863 63.980 0.883 11451 4848 1 7 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.709 -0.841 11451 4849 1 7 . 1 1 58 58 GLY N N 58 113.477 113.477 104.064 9.413 11451 4850 1 7 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.204 0.162 11451 4851 1 7 . 1 1 58 58 GLY H H 58 9.454 9.454 7.943 1.511 11451 4852 1 7 . 1 1 59 59 MET N N 59 114.007 114.007 116.485 -2.478 11451 4853 1 7 . 1 1 59 59 MET HA H 59 3.946 3.946 3.616 0.330 11451 4854 1 7 . 1 1 59 59 MET CA C 59 54.650 54.650 56.028 -1.378 11451 4855 1 7 . 1 1 59 59 MET CB C 59 25.875 25.875 28.830 -2.955 11451 4856 1 7 . 1 1 59 59 MET H H 59 8.027 8.027 7.905 0.122 11451 4857 1 7 . 1 1 60 60 LYS N N 60 120.420 120.420 119.726 0.694 11451 4858 1 7 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.467 -0.001 11451 4859 1 7 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.753 -0.795 11451 4860 1 7 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.105 -0.795 11451 4861 1 7 . 1 1 60 60 LYS H H 60 6.996 6.996 7.557 -0.561 11451 4862 1 7 . 1 1 61 61 GLN N N 61 130.250 130.250 125.984 4.266 11451 4863 1 7 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.272 -0.886 11451 4864 1 7 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.156 0.623 11451 4865 1 7 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.307 -0.866 11451 4866 1 7 . 1 1 61 61 GLN H H 61 8.965 8.965 8.765 0.200 11451 4867 1 7 . 1 1 62 62 LYS N N 62 126.196 126.196 127.027 -0.831 11451 4868 1 7 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.357 -0.227 11451 4869 1 7 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.438 1.252 11451 4870 1 7 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.636 0.136 11451 4871 1 7 . 1 1 62 62 LYS H H 62 7.323 7.323 8.300 -0.977 11451 4872 1 7 . 1 1 63 63 ALA N N 63 127.588 127.588 124.146 3.442 11451 4873 1 7 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.463 -0.179 11451 4874 1 7 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.625 1.020 11451 4875 1 7 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.504 0.869 11451 4876 1 7 . 1 1 63 63 ALA H H 63 8.458 8.458 8.615 -0.157 11451 4877 1 7 . 1 1 64 64 THR N N 64 111.370 111.370 114.922 -3.552 11451 4878 1 7 . 1 1 64 64 THR HA H 64 4.550 4.550 4.276 0.274 11451 4879 1 7 . 1 1 64 64 THR CA C 64 60.554 60.554 62.147 -1.593 11451 4880 1 7 . 1 1 64 64 THR CB C 64 71.700 71.700 68.552 3.148 11451 4881 1 7 . 1 1 64 64 THR H H 64 8.122 8.122 7.903 0.219 11451 4882 1 7 . 1 1 65 65 LYS N N 65 118.451 118.451 126.626 -8.175 11451 4883 1 7 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.498 -0.079 11451 4884 1 7 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.078 0.268 11451 4885 1 7 . 1 1 65 65 LYS CB C 65 32.482 32.482 34.403 -1.921 11451 4886 1 7 . 1 1 65 65 LYS H H 65 7.879 7.879 7.927 -0.048 11451 4887 1 7 . 1 1 66 66 GLU N N 66 118.805 118.805 118.836 -0.031 11451 4888 1 7 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.127 0.030 11451 4889 1 7 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.265 -0.383 11451 4890 1 7 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.059 0.291 11451 4891 1 7 . 1 1 66 66 GLU H H 66 7.872 7.872 8.736 -0.864 11451 4892 1 7 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.537 0.317 11451 4893 1 7 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.177 -1.022 11451 4894 1 7 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.172 0.518 11451 4895 1 7 . 1 1 68 68 ILE N N 68 112.686 112.686 123.273 -10.587 11451 4896 1 7 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.399 0.038 11451 4897 1 7 . 1 1 68 68 ILE CA C 68 58.971 58.971 60.170 -1.199 11451 4898 1 7 . 1 1 68 68 ILE CB C 68 41.525 41.525 39.721 1.804 11451 4899 1 7 . 1 1 68 68 ILE H H 68 8.235 8.235 8.617 -0.382 11451 4900 1 7 . 1 1 69 69 LYS N N 69 121.199 121.199 123.054 -1.855 11451 4901 1 7 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.609 -0.668 11451 4902 1 7 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.278 -0.217 11451 4903 1 7 . 1 1 69 69 LYS CB C 69 32.140 32.140 33.259 -1.119 11451 4904 1 7 . 1 1 69 69 LYS H H 69 7.849 7.849 8.348 -0.499 11451 4905 1 7 . 1 1 70 70 ASN N N 70 126.585 126.585 119.737 6.848 11451 4906 1 7 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.691 -0.469 11451 4907 1 7 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.755 -0.427 11451 4908 1 7 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.656 -1.519 11451 4909 1 7 . 1 1 70 70 ASN H H 70 10.816 10.816 8.842 1.974 11451 4910 1 7 . 1 1 71 71 GLU N N 71 126.223 126.223 125.338 0.885 11451 4911 1 7 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.779 -0.126 11451 4912 1 7 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.451 -0.854 11451 4913 1 7 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.504 0.276 11451 4914 1 7 . 1 1 71 71 GLU H H 71 8.202 8.202 8.852 -0.650 11451 4915 1 7 . 1 1 72 72 ALA N N 72 120.736 120.736 122.803 -2.067 11451 4916 1 7 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.156 0.076 11451 4917 1 7 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.677 0.443 11451 4918 1 7 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.072 -0.566 11451 4919 1 7 . 1 1 72 72 ALA H H 72 9.149 9.149 8.148 1.001 11451 4920 1 7 . 1 1 73 73 ASN N N 73 114.744 114.744 115.097 -0.353 11451 4921 1 7 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.235 0.946 11451 4922 1 7 . 1 1 73 73 ASN CA C 73 52.331 52.331 54.027 -1.696 11451 4923 1 7 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.833 -2.157 11451 4924 1 7 . 1 1 73 73 ASN H H 73 7.892 7.892 8.461 -0.569 11451 4925 1 7 . 1 1 74 74 ASN N N 74 119.796 119.796 117.649 2.147 11451 4926 1 7 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.572 -0.193 11451 4927 1 7 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.678 -0.911 11451 4928 1 7 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.793 -0.378 11451 4929 1 7 . 1 1 74 74 ASN H H 74 8.408 8.408 7.318 1.090 11451 4930 1 7 . 1 1 75 75 GLY N N 75 108.891 108.891 107.899 0.992 11451 4931 1 7 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.378 0.249 11451 4932 1 7 . 1 1 75 75 GLY H H 75 7.971 7.971 7.717 0.254 11451 4933 1 7 . 1 1 76 76 LEU N N 76 120.602 120.602 118.757 1.845 11451 4934 1 7 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.376 -0.065 11451 4935 1 7 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.726 -0.127 11451 4936 1 7 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.893 -1.805 11451 4937 1 7 . 1 1 76 76 LEU H H 76 7.734 7.734 7.374 0.360 11451 4938 1 7 . 1 1 77 77 LYS N N 77 121.982 121.982 118.805 3.177 11451 4939 1 7 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.756 -0.306 11451 4940 1 7 . 1 1 77 77 LYS CA C 77 55.001 55.001 55.056 -0.055 11451 4941 1 7 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.563 -0.863 11451 4942 1 7 . 1 1 77 77 LYS H H 77 8.161 8.161 8.272 -0.111 11451 4943 1 7 . 1 1 78 78 ASN N N 78 124.764 124.764 122.524 2.240 11451 4944 1 7 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.165 -0.498 11451 4945 1 7 . 1 1 78 78 ASN CA C 78 54.314 54.314 52.994 1.320 11451 4946 1 7 . 1 1 78 78 ASN CB C 78 37.130 37.130 38.990 -1.860 11451 4947 1 7 . 1 1 78 78 ASN H H 78 9.564 9.564 9.353 0.211 11451 4948 1 7 . 1 1 79 79 THR N N 79 114.955 114.955 111.282 3.673 11451 4949 1 7 . 1 1 79 79 THR HA H 79 4.263 4.263 4.983 -0.720 11451 4950 1 7 . 1 1 79 79 THR CA C 79 60.774 60.774 59.477 1.297 11451 4951 1 7 . 1 1 79 79 THR CB C 79 70.347 70.347 71.262 -0.915 11451 4952 1 7 . 1 1 79 79 THR H H 79 8.190 8.190 7.505 0.685 11451 4953 1 7 . 1 1 80 80 ARG N N 80 124.080 124.080 122.169 1.911 11451 4954 1 7 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.110 -0.907 11451 4955 1 7 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.057 1.430 11451 4956 1 7 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.503 -0.594 11451 4957 1 7 . 1 1 80 80 ARG H H 80 9.203 9.203 8.831 0.372 11451 4958 1 7 . 1 1 81 81 GLY N N 81 115.741 115.741 113.631 2.110 11451 4959 1 7 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.320 -0.249 11451 4960 1 7 . 1 1 81 81 GLY H H 81 8.976 8.976 9.302 -0.326 11451 4961 1 7 . 1 1 82 82 THR N N 82 110.362 110.362 111.806 -1.444 11451 4962 1 7 . 1 1 82 82 THR HA H 82 4.623 4.623 4.599 0.024 11451 4963 1 7 . 1 1 82 82 THR CA C 82 61.694 61.694 59.830 1.864 11451 4964 1 7 . 1 1 82 82 THR CB C 82 72.230 72.230 71.322 0.908 11451 4965 1 7 . 1 1 82 82 THR H H 82 8.070 8.070 7.625 0.445 11451 4966 1 7 . 1 1 83 83 LEU N N 83 121.341 121.341 123.128 -1.787 11451 4967 1 7 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.296 -0.077 11451 4968 1 7 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.885 0.465 11451 4969 1 7 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.658 -2.139 11451 4970 1 7 . 1 1 83 83 LEU H H 83 7.918 7.918 8.205 -0.287 11451 4971 1 7 . 1 1 84 84 ALA N N 84 121.663 121.663 123.847 -2.184 11451 4972 1 7 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.230 0.287 11451 4973 1 7 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.626 -0.557 11451 4974 1 7 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.527 1.458 11451 4975 1 7 . 1 1 84 84 ALA H H 84 8.053 8.053 8.069 -0.016 11451 4976 1 7 . 1 1 85 85 MET N N 85 115.338 115.338 118.727 -3.389 11451 4977 1 7 . 1 1 85 85 MET HA H 85 5.241 5.241 4.712 0.529 11451 4978 1 7 . 1 1 85 85 MET CA C 85 52.707 52.707 53.093 -0.385 11451 4979 1 7 . 1 1 85 85 MET CB C 85 29.801 29.801 32.261 -2.460 11451 4980 1 7 . 1 1 85 85 MET H H 85 7.539 7.539 8.158 -0.619 11451 4981 1 7 . 1 1 86 86 ALA N N 86 126.558 126.558 127.140 -0.582 11451 4982 1 7 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.926 -0.243 11451 4983 1 7 . 1 1 86 86 ALA CA C 86 51.207 51.207 50.935 0.272 11451 4984 1 7 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.963 -1.547 11451 4985 1 7 . 1 1 86 86 ALA H H 86 8.287 8.287 8.792 -0.505 11451 4986 1 7 . 1 1 87 87 ARG N N 87 113.623 113.623 118.323 -4.700 11451 4987 1 7 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.492 0.142 11451 4988 1 7 . 1 1 87 87 ARG CA C 87 55.768 55.768 56.047 -0.279 11451 4989 1 7 . 1 1 87 87 ARG CB C 87 29.722 29.722 31.978 -2.256 11451 4990 1 7 . 1 1 87 87 ARG H H 87 8.031 8.031 8.637 -0.606 11451 4991 1 7 . 1 1 88 88 THR N N 88 111.627 111.627 115.732 -4.105 11451 4992 1 7 . 1 1 88 88 THR HA H 88 4.624 4.624 4.342 0.282 11451 4993 1 7 . 1 1 88 88 THR CA C 88 60.554 60.554 64.325 -3.771 11451 4994 1 7 . 1 1 88 88 THR CB C 88 68.430 68.430 69.734 -1.304 11451 4995 1 7 . 1 1 88 88 THR H H 88 7.892 7.892 8.289 -0.397 11451 4996 1 7 . 1 1 89 89 GLN N N 89 117.361 117.361 118.317 -0.956 11451 4997 1 7 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.448 -0.597 11451 4998 1 7 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.123 2.788 11451 4999 1 7 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.582 -2.212 11451 5000 1 7 . 1 1 89 89 GLN H H 89 8.188 8.188 8.081 0.107 11451 5001 1 7 . 1 1 90 90 ALA N N 90 122.998 122.998 123.771 -0.773 11451 5002 1 7 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.788 -0.443 11451 5003 1 7 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.475 -0.749 11451 5004 1 7 . 1 1 90 90 ALA CB C 90 17.174 17.174 18.593 -1.419 11451 5005 1 7 . 1 1 90 90 ALA H H 90 7.962 7.962 7.980 -0.018 11451 5006 1 7 . 1 1 91 91 PRO HA H 91 3.468 3.468 4.065 -0.597 11451 5007 1 7 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.525 0.912 11451 5008 1 7 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.616 -1.647 11451 5009 1 7 . 1 1 92 92 HIS N N 92 118.470 118.470 117.046 1.424 11451 5010 1 7 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.879 -0.055 11451 5011 1 7 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.784 -1.583 11451 5012 1 7 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.206 -0.896 11451 5013 1 7 . 1 1 92 92 HIS H H 92 7.977 7.977 8.260 -0.283 11451 5014 1 7 . 1 1 93 93 SER N N 93 108.425 108.425 115.049 -6.624 11451 5015 1 7 . 1 1 93 93 SER HA H 93 4.380 4.380 4.644 -0.264 11451 5016 1 7 . 1 1 93 93 SER CA C 93 57.696 57.696 57.723 -0.027 11451 5017 1 7 . 1 1 93 93 SER CB C 93 65.924 65.924 63.902 2.022 11451 5018 1 7 . 1 1 93 93 SER H H 93 6.374 6.374 7.872 -1.498 11451 5019 1 7 . 1 1 94 94 ALA N N 94 130.109 130.109 126.344 3.765 11451 5020 1 7 . 1 1 94 94 ALA HA H 94 4.276 4.276 4.827 -0.551 11451 5021 1 7 . 1 1 94 94 ALA CA C 94 54.173 54.173 52.088 2.085 11451 5022 1 7 . 1 1 94 94 ALA CB C 94 20.366 20.366 18.307 2.059 11451 5023 1 7 . 1 1 94 94 ALA H H 94 8.543 8.543 7.612 0.931 11451 5024 1 7 . 1 1 95 95 THR N N 95 110.794 110.794 116.759 -5.965 11451 5025 1 7 . 1 1 95 95 THR HA H 95 4.722 4.722 4.449 0.273 11451 5026 1 7 . 1 1 95 95 THR CA C 95 59.725 59.725 63.988 -4.263 11451 5027 1 7 . 1 1 95 95 THR CB C 95 70.157 70.157 69.598 0.559 11451 5028 1 7 . 1 1 95 95 THR H H 95 8.925 8.925 8.304 0.621 11451 5029 1 7 . 1 1 96 96 ALA N N 96 121.615 121.615 121.076 0.539 11451 5030 1 7 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.917 -0.490 11451 5031 1 7 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.865 -0.329 11451 5032 1 7 . 1 1 96 96 ALA CB C 96 23.216 23.216 20.253 2.963 11451 5033 1 7 . 1 1 96 96 ALA H H 96 7.954 7.954 8.486 -0.532 11451 5034 1 7 . 1 1 97 97 GLN N N 97 115.548 115.548 120.172 -4.624 11451 5035 1 7 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.862 -0.233 11451 5036 1 7 . 1 1 97 97 GLN CA C 97 57.388 57.388 56.170 1.218 11451 5037 1 7 . 1 1 97 97 GLN CB C 97 30.757 30.757 29.378 1.379 11451 5038 1 7 . 1 1 97 97 GLN H H 97 7.866 7.866 8.016 -0.150 11451 5039 1 7 . 1 1 98 98 PHE N N 98 117.593 117.593 120.348 -2.755 11451 5040 1 7 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.545 0.243 11451 5041 1 7 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.590 -0.936 11451 5042 1 7 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.230 -0.005 11451 5043 1 7 . 1 1 98 98 PHE H H 98 7.623 7.623 8.347 -0.724 11451 5044 1 7 . 1 1 99 99 PHE N N 99 116.226 116.226 114.586 1.640 11451 5045 1 7 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.287 0.445 11451 5046 1 7 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.586 -0.536 11451 5047 1 7 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.244 1.776 11451 5048 1 7 . 1 1 99 99 PHE H H 99 9.518 9.518 8.868 0.650 11451 5049 1 7 . 1 1 100 100 ILE N N 100 117.687 117.687 120.302 -2.615 11451 5050 1 7 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.831 -0.004 11451 5051 1 7 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.065 -0.716 11451 5052 1 7 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.943 -0.274 11451 5053 1 7 . 1 1 100 100 ILE H H 100 9.136 9.136 9.031 0.105 11451 5054 1 7 . 1 1 101 101 ASN N N 101 126.524 126.524 128.579 -2.055 11451 5055 1 7 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.700 -0.241 11451 5056 1 7 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.626 2.107 11451 5057 1 7 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.073 1.853 11451 5058 1 7 . 1 1 101 101 ASN H H 101 8.877 8.877 9.188 -0.311 11451 5059 1 7 . 1 1 102 102 VAL N N 102 117.660 117.660 120.048 -2.388 11451 5060 1 7 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.996 0.415 11451 5061 1 7 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.196 -1.289 11451 5062 1 7 . 1 1 102 102 VAL CB C 102 30.370 30.370 31.955 -1.585 11451 5063 1 7 . 1 1 102 102 VAL H H 102 7.700 7.700 7.745 -0.045 11451 5064 1 7 . 1 1 103 103 VAL N N 103 116.637 116.637 111.591 5.046 11451 5065 1 7 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.457 -0.104 11451 5066 1 7 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.632 1.027 11451 5067 1 7 . 1 1 103 103 VAL CB C 103 35.510 35.510 35.405 0.105 11451 5068 1 7 . 1 1 103 103 VAL H H 103 7.753 7.753 6.888 0.865 11451 5069 1 7 . 1 1 104 104 ASP N N 104 118.510 118.510 121.272 -2.762 11451 5070 1 7 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.493 -0.238 11451 5071 1 7 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.277 0.223 11451 5072 1 7 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.134 -2.046 11451 5073 1 7 . 1 1 104 104 ASP H H 104 8.171 8.171 8.567 -0.396 11451 5074 1 7 . 1 1 105 105 ASN N N 105 128.132 128.132 125.470 2.662 11451 5075 1 7 . 1 1 105 105 ASN HA H 105 5.079 5.079 5.193 -0.114 11451 5076 1 7 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.408 -0.879 11451 5077 1 7 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.221 -0.086 11451 5078 1 7 . 1 1 105 105 ASN H H 105 8.352 8.352 8.939 -0.587 11451 5079 1 7 . 1 1 106 106 ASP N N 106 121.636 121.636 121.672 -0.036 11451 5080 1 7 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.548 -0.277 11451 5081 1 7 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.027 -0.240 11451 5082 1 7 . 1 1 106 106 ASP CB C 106 39.805 39.805 41.043 -1.238 11451 5083 1 7 . 1 1 106 106 ASP H H 106 8.203 8.203 8.518 -0.315 11451 5084 1 7 . 1 1 107 107 PHE N N 107 114.525 114.525 115.793 -1.268 11451 5085 1 7 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.501 -0.003 11451 5086 1 7 . 1 1 107 107 PHE CA C 107 57.395 57.395 58.884 -1.489 11451 5087 1 7 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.518 -1.738 11451 5088 1 7 . 1 1 107 107 PHE H H 107 7.388 7.388 8.082 -0.694 11451 5089 1 7 . 1 1 108 108 LEU N N 108 121.576 121.576 118.175 3.401 11451 5090 1 7 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.357 0.109 11451 5091 1 7 . 1 1 108 108 LEU CA C 108 54.478 54.478 54.855 -0.377 11451 5092 1 7 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.085 1.014 11451 5093 1 7 . 1 1 108 108 LEU H H 108 7.163 7.163 7.505 -0.342 11451 5094 1 7 . 1 1 109 109 ASN N N 109 116.121 116.121 118.333 -2.212 11451 5095 1 7 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.876 0.273 11451 5096 1 7 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.486 -0.516 11451 5097 1 7 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.138 -1.019 11451 5098 1 7 . 1 1 109 109 ASN H H 109 7.312 7.312 7.666 -0.354 11451 5099 1 7 . 1 1 110 110 PHE N N 110 124.182 124.182 119.701 4.481 11451 5100 1 7 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.819 -0.567 11451 5101 1 7 . 1 1 110 110 PHE CA C 110 59.055 59.055 58.965 0.090 11451 5102 1 7 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.643 -0.850 11451 5103 1 7 . 1 1 110 110 PHE H H 110 8.825 8.825 7.971 0.854 11451 5104 1 7 . 1 1 111 111 SER N N 111 122.136 122.136 121.611 0.525 11451 5105 1 7 . 1 1 111 111 SER HA H 111 4.179 4.179 4.408 -0.229 11451 5106 1 7 . 1 1 111 111 SER CA C 111 57.521 57.521 57.704 -0.183 11451 5107 1 7 . 1 1 111 111 SER CB C 111 64.617 64.617 64.291 0.326 11451 5108 1 7 . 1 1 111 111 SER H H 111 9.456 9.456 8.082 1.374 11451 5109 1 7 . 1 1 112 112 GLY N N 112 110.435 110.435 107.657 2.778 11451 5110 1 7 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.688 0.690 11451 5111 1 7 . 1 1 112 112 GLY H H 112 5.514 5.514 7.087 -1.573 11451 5112 1 7 . 1 1 113 113 GLU N N 113 118.926 118.926 116.717 2.209 11451 5113 1 7 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.529 -0.882 11451 5114 1 7 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.298 -2.328 11451 5115 1 7 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.226 -2.563 11451 5116 1 7 . 1 1 113 113 GLU H H 113 7.862 7.862 8.016 -0.154 11451 5117 1 7 . 1 1 114 114 SER N N 114 119.323 119.323 114.528 4.795 11451 5118 1 7 . 1 1 114 114 SER HA H 114 4.625 4.625 4.783 -0.158 11451 5119 1 7 . 1 1 114 114 SER CA C 114 56.279 56.279 56.047 0.232 11451 5120 1 7 . 1 1 114 114 SER H H 114 7.621 7.621 8.019 -0.398 11451 5121 1 7 . 1 1 115 115 LEU N N 115 122.373 122.373 128.761 -6.388 11451 5122 1 7 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.085 0.032 11451 5123 1 7 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.051 1.909 11451 5124 1 7 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.909 -0.784 11451 5125 1 7 . 1 1 115 115 LEU H H 115 8.745 8.745 9.067 -0.322 11451 5126 1 7 . 1 1 116 116 GLN N N 116 114.490 114.490 115.989 -1.499 11451 5127 1 7 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.322 -0.060 11451 5128 1 7 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.449 0.678 11451 5129 1 7 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.918 -0.721 11451 5130 1 7 . 1 1 116 116 GLN H H 116 8.292 8.292 8.154 0.138 11451 5131 1 7 . 1 1 117 117 GLY N N 117 109.729 109.729 108.101 1.628 11451 5132 1 7 . 1 1 117 117 GLY CA C 117 45.541 45.541 45.127 0.415 11451 5133 1 7 . 1 1 117 117 GLY H H 117 7.832 7.832 8.284 -0.452 11451 5134 1 7 . 1 1 118 118 TRP N N 118 123.807 123.807 123.949 -0.142 11451 5135 1 7 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.944 -0.630 11451 5136 1 7 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.934 7.360 11451 5137 1 7 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.051 2.116 11451 5138 1 7 . 1 1 118 118 TRP H H 118 7.801 7.801 7.813 -0.012 11451 5139 1 7 . 1 1 119 119 GLY N N 119 124.815 124.815 110.994 13.821 11451 5140 1 7 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.167 0.152 11451 5141 1 7 . 1 1 119 119 GLY H H 119 7.438 7.438 8.598 -1.160 11451 5142 1 7 . 1 1 120 120 TYR N N 120 119.720 119.720 117.611 2.109 11451 5143 1 7 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.014 0.188 11451 5144 1 7 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.045 0.274 11451 5145 1 7 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.295 -2.556 11451 5146 1 7 . 1 1 120 120 TYR H H 120 8.281 8.281 8.417 -0.136 11451 5147 1 7 . 1 1 121 121 CYS N N 121 126.117 126.117 122.563 3.554 11451 5148 1 7 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.683 -0.444 11451 5149 1 7 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.733 0.964 11451 5150 1 7 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.287 -0.277 11451 5151 1 7 . 1 1 121 121 CYS H H 121 9.818 9.818 9.252 0.566 11451 5152 1 7 . 1 1 122 122 VAL N N 122 106.168 106.168 130.465 -24.297 11451 5153 1 7 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.210 0.353 11451 5154 1 7 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.967 -0.317 11451 5155 1 7 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.577 0.902 11451 5156 1 7 . 1 1 122 122 VAL H H 122 9.382 9.382 8.981 0.401 11451 5157 1 7 . 1 1 123 123 PHE N N 123 118.398 118.398 125.120 -6.722 11451 5158 1 7 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.667 0.194 11451 5159 1 7 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.611 -2.672 11451 5160 1 7 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.586 2.054 11451 5161 1 7 . 1 1 123 123 PHE H H 123 7.842 7.842 8.230 -0.388 11451 5162 1 7 . 1 1 124 124 ALA N N 124 124.412 124.412 118.495 5.917 11451 5163 1 7 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.666 -0.016 11451 5164 1 7 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.620 0.139 11451 5165 1 7 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.735 1.901 11451 5166 1 7 . 1 1 124 124 ALA H H 124 7.327 7.327 6.970 0.357 11451 5167 1 7 . 1 1 125 125 GLU N N 125 115.272 115.272 117.285 -2.013 11451 5168 1 7 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.629 0.142 11451 5169 1 7 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.365 0.286 11451 5170 1 7 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.483 -0.714 11451 5171 1 7 . 1 1 125 125 GLU H H 125 8.223 8.223 8.232 -0.009 11451 5172 1 7 . 1 1 126 126 VAL N N 126 123.948 123.948 121.669 2.279 11451 5173 1 7 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.992 -0.083 11451 5174 1 7 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.686 -0.421 11451 5175 1 7 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.598 -0.788 11451 5176 1 7 . 1 1 126 126 VAL H H 126 8.786 8.786 8.305 0.481 11451 5177 1 7 . 1 1 127 127 VAL N N 127 123.644 123.644 127.339 -3.695 11451 5178 1 7 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.255 0.095 11451 5179 1 7 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.577 -2.083 11451 5180 1 7 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.934 -0.452 11451 5181 1 7 . 1 1 127 127 VAL H H 127 9.096 9.096 8.999 0.097 11451 5182 1 7 . 1 1 128 128 ASP N N 128 121.165 121.165 119.115 2.050 11451 5183 1 7 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.866 0.056 11451 5184 1 7 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.614 0.787 11451 5185 1 7 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.025 -0.976 11451 5186 1 7 . 1 1 128 128 ASP H H 128 7.719 7.719 7.718 0.001 11451 5187 1 7 . 1 1 129 129 GLY N N 129 110.821 110.821 108.029 2.792 11451 5188 1 7 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.559 0.202 11451 5189 1 7 . 1 1 129 129 GLY H H 129 8.276 8.276 8.924 -0.648 11451 5190 1 7 . 1 1 130 130 MET N N 130 122.991 122.991 119.972 3.019 11451 5191 1 7 . 1 1 130 130 MET HA H 130 4.468 4.468 4.171 0.297 11451 5192 1 7 . 1 1 130 130 MET CA C 130 55.953 55.953 57.898 -1.945 11451 5193 1 7 . 1 1 130 130 MET CB C 130 28.771 28.771 31.510 -2.739 11451 5194 1 7 . 1 1 130 130 MET H H 130 8.945 8.945 8.454 0.491 11451 5195 1 7 . 1 1 131 131 ASP N N 131 117.183 117.183 118.509 -1.326 11451 5196 1 7 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.460 -0.215 11451 5197 1 7 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.507 -0.868 11451 5198 1 7 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.324 -1.645 11451 5199 1 7 . 1 1 131 131 ASP H H 131 8.924 8.924 8.713 0.211 11451 5200 1 7 . 1 1 132 132 VAL N N 132 124.340 124.340 120.187 4.153 11451 5201 1 7 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.799 -0.360 11451 5202 1 7 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.555 0.461 11451 5203 1 7 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.827 -1.046 11451 5204 1 7 . 1 1 132 132 VAL H H 132 7.222 7.222 7.665 -0.443 11451 5205 1 7 . 1 1 133 133 VAL N N 133 121.730 121.730 120.803 0.927 11451 5206 1 7 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.430 -0.412 11451 5207 1 7 . 1 1 133 133 VAL CA C 133 67.076 67.076 67.179 -0.103 11451 5208 1 7 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.306 -0.486 11451 5209 1 7 . 1 1 133 133 VAL H H 133 7.367 7.367 8.183 -0.816 11451 5210 1 7 . 1 1 134 134 ASP N N 134 117.555 117.555 118.329 -0.774 11451 5211 1 7 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.335 -0.085 11451 5212 1 7 . 1 1 134 134 ASP CA C 134 56.263 56.263 57.194 -0.930 11451 5213 1 7 . 1 1 134 134 ASP CB C 134 39.812 39.812 40.980 -1.168 11451 5214 1 7 . 1 1 134 134 ASP H H 134 8.411 8.411 8.217 0.194 11451 5215 1 7 . 1 1 135 135 LYS N N 135 122.646 122.646 119.966 2.680 11451 5216 1 7 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.125 -0.124 11451 5217 1 7 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.270 0.638 11451 5218 1 7 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.016 -0.006 11451 5219 1 7 . 1 1 135 135 LYS H H 135 7.418 7.418 7.303 0.115 11451 5220 1 7 . 1 1 136 136 ILE N N 136 121.613 121.613 117.421 4.192 11451 5221 1 7 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.541 -0.479 11451 5222 1 7 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.079 1.228 11451 5223 1 7 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.800 -0.501 11451 5224 1 7 . 1 1 136 136 ILE H H 136 8.075 8.075 8.241 -0.166 11451 5225 1 7 . 1 1 137 137 LYS N N 137 113.499 113.499 117.095 -3.596 11451 5226 1 7 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.218 -0.474 11451 5227 1 7 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.846 0.042 11451 5228 1 7 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.427 -1.072 11451 5229 1 7 . 1 1 137 137 LYS H H 137 7.976 7.976 7.531 0.445 11451 5230 1 7 . 1 1 138 138 GLY N N 138 104.829 104.829 107.781 -2.952 11451 5231 1 7 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.767 -1.586 11451 5232 1 7 . 1 1 138 138 GLY H H 138 6.858 6.858 7.452 -0.594 11451 5233 1 7 . 1 1 139 139 VAL N N 139 116.189 116.189 116.141 0.048 11451 5234 1 7 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.837 0.246 11451 5235 1 7 . 1 1 139 139 VAL CA C 139 61.744 61.744 62.796 -1.052 11451 5236 1 7 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.308 1.542 11451 5237 1 7 . 1 1 139 139 VAL H H 139 7.220 7.220 7.242 -0.022 11451 5238 1 7 . 1 1 140 140 ALA N N 140 123.097 123.097 120.514 2.583 11451 5239 1 7 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.074 0.208 11451 5240 1 7 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.347 0.503 11451 5241 1 7 . 1 1 140 140 ALA CB C 140 18.372 18.372 18.885 -0.513 11451 5242 1 7 . 1 1 140 140 ALA H H 140 8.262 8.262 7.704 0.558 11451 5243 1 7 . 1 1 141 141 THR N N 141 113.326 113.326 113.191 0.135 11451 5244 1 7 . 1 1 141 141 THR HA H 141 4.925 4.925 5.286 -0.361 11451 5245 1 7 . 1 1 141 141 THR CA C 141 59.382 59.382 59.787 -0.405 11451 5246 1 7 . 1 1 141 141 THR CB C 141 73.286 73.286 71.028 2.257 11451 5247 1 7 . 1 1 141 141 THR H H 141 8.278 8.278 8.158 0.120 11451 5248 1 7 . 1 1 142 142 GLY N N 142 107.299 107.299 109.202 -1.903 11451 5249 1 7 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.380 -0.208 11451 5250 1 7 . 1 1 142 142 GLY H H 142 8.484 8.484 8.579 -0.095 11451 5251 1 7 . 1 1 143 143 ARG N N 143 120.230 120.230 122.536 -2.306 11451 5252 1 7 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.330 0.467 11451 5253 1 7 . 1 1 143 143 ARG CA C 143 55.200 55.200 57.104 -1.904 11451 5254 1 7 . 1 1 143 143 ARG CB C 143 31.351 31.351 31.083 0.268 11451 5255 1 7 . 1 1 143 143 ARG H H 143 8.185 8.185 8.456 -0.271 11451 5256 1 7 . 1 1 144 144 SER N N 144 119.429 119.429 123.039 -3.610 11451 5257 1 7 . 1 1 144 144 SER HA H 144 4.466 4.466 4.731 -0.265 11451 5258 1 7 . 1 1 144 144 SER CA C 144 56.856 56.856 57.783 -0.927 11451 5259 1 7 . 1 1 144 144 SER CB C 144 63.174 63.174 63.504 -0.330 11451 5260 1 7 . 1 1 144 144 SER H H 144 8.427 8.427 8.837 -0.410 11451 5261 1 7 . 1 1 145 145 GLY N N 145 117.736 117.736 114.337 3.399 11451 5262 1 7 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.697 -0.011 11451 5263 1 7 . 1 1 145 145 GLY H H 145 8.902 8.902 8.584 0.319 11451 5264 1 7 . 1 1 146 146 MET N N 146 125.723 125.723 122.658 3.065 11451 5265 1 7 . 1 1 146 146 MET HA H 146 4.315 4.315 4.341 -0.026 11451 5266 1 7 . 1 1 146 146 MET CA C 146 55.431 55.431 56.160 -0.729 11451 5267 1 7 . 1 1 146 146 MET H H 146 8.827 8.827 8.306 0.521 11451 5268 1 7 . 1 1 147 147 HIS N N 147 121.581 121.581 118.876 2.705 11451 5269 1 7 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.719 -0.295 11451 5270 1 7 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.038 1.037 11451 5271 1 7 . 1 1 147 147 HIS CB C 147 31.593 31.593 29.737 1.856 11451 5272 1 7 . 1 1 147 147 HIS H H 147 8.010 8.010 7.715 0.295 11451 5273 1 7 . 1 1 148 148 GLN N N 148 121.305 121.305 125.573 -4.268 11451 5274 1 7 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.542 -0.072 11451 5275 1 7 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.384 -0.920 11451 5276 1 7 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.705 0.986 11451 5277 1 7 . 1 1 148 148 GLN H H 148 8.681 8.681 8.521 0.160 11451 5278 1 7 . 1 1 149 149 ASP N N 149 117.085 117.085 119.050 -1.965 11451 5279 1 7 . 1 1 149 149 ASP CB C 149 39.479 39.479 40.448 -0.969 11451 5280 1 7 . 1 1 149 149 ASP H H 149 8.635 8.635 8.662 -0.027 11451 5281 1 7 . 1 1 150 150 VAL N N 150 120.313 120.313 111.954 8.359 11451 5282 1 7 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.452 -0.073 11451 5283 1 7 . 1 1 150 150 VAL CA C 150 59.168 59.168 59.699 -0.531 11451 5284 1 7 . 1 1 150 150 VAL CB C 150 33.080 33.080 31.488 1.592 11451 5285 1 7 . 1 1 150 150 VAL H H 150 8.470 8.470 7.635 0.835 11451 5286 1 7 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.612 -0.198 11451 5287 1 7 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.913 1.023 11451 5288 1 7 . 1 1 151 151 PRO CB C 151 32.176 32.176 31.962 0.214 11451 5289 1 7 . 1 1 152 152 LYS N N 152 125.675 125.675 122.119 3.556 11451 5290 1 7 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.196 -0.325 11451 5291 1 7 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.332 1.269 11451 5292 1 7 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.881 -1.096 11451 5293 1 7 . 1 1 152 152 LYS H H 152 8.169 8.169 8.399 -0.230 11451 5294 1 7 . 1 1 153 153 GLU N N 153 119.081 119.081 120.552 -1.471 11451 5295 1 7 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.378 0.017 11451 5296 1 7 . 1 1 153 153 GLU CA C 153 54.216 54.216 56.615 -2.399 11451 5297 1 7 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.553 0.185 11451 5298 1 7 . 1 1 153 153 GLU H H 153 7.960 7.960 8.236 -0.276 11451 5299 1 7 . 1 1 154 154 ASP N N 154 121.884 121.884 121.141 0.743 11451 5300 1 7 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.639 -0.407 11451 5301 1 7 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.990 2.110 11451 5302 1 7 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.841 -0.301 11451 5303 1 7 . 1 1 154 154 ASP H H 154 8.149 8.149 8.582 -0.433 11451 5304 1 7 . 1 1 155 155 VAL N N 155 129.777 129.777 125.648 4.129 11451 5305 1 7 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.810 -0.371 11451 5306 1 7 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.321 0.990 11451 5307 1 7 . 1 1 155 155 VAL CB C 155 31.469 31.469 31.983 -0.513 11451 5308 1 7 . 1 1 155 155 VAL H H 155 10.043 10.043 8.637 1.406 11451 5309 1 7 . 1 1 156 156 ILE N N 156 125.807 125.807 124.256 1.551 11451 5310 1 7 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.244 -0.832 11451 5311 1 7 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.555 2.130 11451 5312 1 7 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.411 0.503 11451 5313 1 7 . 1 1 156 156 ILE H H 156 8.252 8.252 9.492 -1.240 11451 5314 1 7 . 1 1 157 157 ILE N N 157 126.581 126.581 126.606 -0.025 11451 5315 1 7 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.246 -0.567 11451 5316 1 7 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.900 0.605 11451 5317 1 7 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.599 -0.227 11451 5318 1 7 . 1 1 157 157 ILE H H 157 9.168 9.168 9.114 0.054 11451 5319 1 7 . 1 1 158 158 GLU N N 158 130.185 130.185 128.640 1.545 11451 5320 1 7 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.271 -0.231 11451 5321 1 7 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.687 0.219 11451 5322 1 7 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.713 -0.715 11451 5323 1 7 . 1 1 158 158 GLU H H 158 8.910 8.910 8.840 0.070 11451 5324 1 7 . 1 1 159 159 SER N N 159 108.037 108.037 111.442 -3.405 11451 5325 1 7 . 1 1 159 159 SER HA H 159 4.399 4.399 4.992 -0.593 11451 5326 1 7 . 1 1 159 159 SER CA C 159 57.505 57.505 57.036 0.469 11451 5327 1 7 . 1 1 159 159 SER CB C 159 64.403 64.403 65.321 -0.918 11451 5328 1 7 . 1 1 159 159 SER H H 159 7.772 7.772 8.115 -0.343 11451 5329 1 7 . 1 1 160 160 VAL N N 160 119.790 119.790 121.651 -1.861 11451 5330 1 7 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.382 -0.207 11451 5331 1 7 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.049 -0.484 11451 5332 1 7 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.818 -0.803 11451 5333 1 7 . 1 1 160 160 VAL H H 160 7.681 7.681 8.655 -0.974 11451 5334 1 7 . 1 1 161 161 THR N N 161 122.628 122.628 122.117 0.511 11451 5335 1 7 . 1 1 161 161 THR HA H 161 4.662 4.662 4.741 -0.079 11451 5336 1 7 . 1 1 161 161 THR CA C 161 61.452 61.452 61.106 0.346 11451 5337 1 7 . 1 1 161 161 THR CB C 161 70.781 70.781 71.598 -0.817 11451 5338 1 7 . 1 1 161 161 THR H H 161 8.817 8.817 9.232 -0.415 11451 5339 1 7 . 1 1 162 162 VAL N N 162 129.304 129.304 127.577 1.727 11451 5340 1 7 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.341 0.146 11451 5341 1 7 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.257 -0.500 11451 5342 1 7 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.211 0.271 11451 5343 1 7 . 1 1 162 162 VAL H H 162 9.075 9.075 8.607 0.468 11451 5344 1 7 . 1 1 163 163 SER N N 163 123.979 123.979 123.967 0.012 11451 5345 1 7 . 1 1 163 163 SER HA H 163 4.601 4.601 4.720 -0.119 11451 5346 1 7 . 1 1 163 163 SER CA C 163 57.521 57.521 56.897 0.624 11451 5347 1 7 . 1 1 163 163 SER CB C 163 64.409 64.409 64.538 -0.129 11451 5348 1 7 . 1 1 163 163 SER H H 163 8.727 8.727 8.757 -0.030 11451 5349 1 8 . 1 1 2 2 VAL N N 2 123.776 123.776 120.811 2.965 11451 5350 1 8 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.747 0.028 11451 5351 1 8 . 1 1 2 2 VAL CA C 2 61.024 61.024 61.059 -0.035 11451 5352 1 8 . 1 1 2 2 VAL CB C 2 35.131 35.131 33.944 1.188 11451 5353 1 8 . 1 1 2 2 VAL H H 2 8.961 8.961 8.843 0.118 11451 5354 1 8 . 1 1 3 3 THR N N 3 121.749 121.749 124.355 -2.606 11451 5355 1 8 . 1 1 3 3 THR HA H 3 5.053 5.053 4.884 0.169 11451 5356 1 8 . 1 1 3 3 THR CA C 3 61.176 61.176 61.827 -0.651 11451 5357 1 8 . 1 1 3 3 THR CB C 3 70.356 70.356 69.648 0.708 11451 5358 1 8 . 1 1 3 3 THR H H 3 8.912 8.912 9.139 -0.227 11451 5359 1 8 . 1 1 4 4 PHE N N 4 125.726 125.726 126.890 -1.164 11451 5360 1 8 . 1 1 4 4 PHE HA H 4 4.795 4.795 5.038 -0.243 11451 5361 1 8 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.040 -1.029 11451 5362 1 8 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.584 -0.863 11451 5363 1 8 . 1 1 4 4 PHE H H 4 9.442 9.442 9.079 0.363 11451 5364 1 8 . 1 1 5 5 HIS N N 5 125.337 125.337 124.285 1.052 11451 5365 1 8 . 1 1 5 5 HIS HA H 5 5.349 5.349 4.909 0.440 11451 5366 1 8 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.867 -1.558 11451 5367 1 8 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.426 -3.909 11451 5368 1 8 . 1 1 5 5 HIS H H 5 8.897 8.897 9.262 -0.365 11451 5369 1 8 . 1 1 6 6 THR N N 6 115.752 115.752 115.515 0.237 11451 5370 1 8 . 1 1 6 6 THR HA H 6 6.126 6.126 4.893 1.233 11451 5371 1 8 . 1 1 6 6 THR CA C 6 60.220 60.220 59.047 1.173 11451 5372 1 8 . 1 1 6 6 THR CB C 6 72.515 72.515 71.374 1.141 11451 5373 1 8 . 1 1 6 6 THR H H 6 7.881 7.881 8.265 -0.384 11451 5374 1 8 . 1 1 7 7 ASN N N 7 119.451 119.451 118.420 1.031 11451 5375 1 8 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.515 0.060 11451 5376 1 8 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.620 -0.127 11451 5377 1 8 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.467 -3.133 11451 5378 1 8 . 1 1 7 7 ASN H H 7 9.334 9.334 8.739 0.595 11451 5379 1 8 . 1 1 8 8 HIS N N 8 118.490 118.490 113.138 5.352 11451 5380 1 8 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.824 -0.333 11451 5381 1 8 . 1 1 8 8 HIS CA C 8 56.790 56.790 55.649 1.141 11451 5382 1 8 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.942 0.692 11451 5383 1 8 . 1 1 8 8 HIS H H 8 8.663 8.663 7.206 1.457 11451 5384 1 8 . 1 1 9 9 GLY N N 9 108.550 108.550 107.942 0.608 11451 5385 1 8 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.969 -1.369 11451 5386 1 8 . 1 1 9 9 GLY H H 9 7.320 7.320 7.758 -0.438 11451 5387 1 8 . 1 1 10 10 ASP N N 10 123.900 123.900 122.534 1.366 11451 5388 1 8 . 1 1 10 10 ASP HA H 10 5.620 5.620 4.817 0.803 11451 5389 1 8 . 1 1 10 10 ASP CA C 10 54.310 54.310 55.135 -0.825 11451 5390 1 8 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.320 0.180 11451 5391 1 8 . 1 1 10 10 ASP H H 10 8.857 8.857 8.407 0.450 11451 5392 1 8 . 1 1 11 11 ILE N N 11 121.150 121.150 123.658 -2.508 11451 5393 1 8 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.653 -0.317 11451 5394 1 8 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.041 1.235 11451 5395 1 8 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.035 -0.376 11451 5396 1 8 . 1 1 11 11 ILE H H 11 8.638 8.638 8.632 0.006 11451 5397 1 8 . 1 1 12 12 VAL N N 12 129.487 129.487 124.850 4.637 11451 5398 1 8 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.757 -0.226 11451 5399 1 8 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.685 1.625 11451 5400 1 8 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.705 -2.463 11451 5401 1 8 . 1 1 12 12 VAL H H 12 8.771 8.771 8.887 -0.116 11451 5402 1 8 . 1 1 13 13 ILE N N 13 127.702 127.702 125.860 1.842 11451 5403 1 8 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.816 -0.146 11451 5404 1 8 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.483 0.255 11451 5405 1 8 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.842 -0.283 11451 5406 1 8 . 1 1 13 13 ILE H H 13 9.527 9.527 9.004 0.523 11451 5407 1 8 . 1 1 14 14 LYS N N 14 126.574 126.574 126.100 0.474 11451 5408 1 8 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.616 0.161 11451 5409 1 8 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.415 -0.572 11451 5410 1 8 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.216 0.284 11451 5411 1 8 . 1 1 14 14 LYS H H 14 8.684 8.684 8.719 -0.035 11451 5412 1 8 . 1 1 15 15 THR N N 15 113.811 113.811 117.775 -3.964 11451 5413 1 8 . 1 1 15 15 THR HA H 15 4.130 4.130 4.151 -0.021 11451 5414 1 8 . 1 1 15 15 THR CA C 15 59.806 59.806 60.897 -1.091 11451 5415 1 8 . 1 1 15 15 THR CB C 15 69.319 69.319 69.538 -0.219 11451 5416 1 8 . 1 1 15 15 THR H H 15 8.343 8.343 8.381 -0.038 11451 5417 1 8 . 1 1 16 16 PHE N N 16 122.611 122.611 124.142 -1.531 11451 5418 1 8 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.722 0.553 11451 5419 1 8 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.727 -1.438 11451 5420 1 8 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.974 -0.604 11451 5421 1 8 . 1 1 16 16 PHE H H 16 8.315 8.315 8.822 -0.507 11451 5422 1 8 . 1 1 17 17 ASP N N 17 120.182 120.182 122.483 -2.301 11451 5423 1 8 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.549 -0.787 11451 5424 1 8 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.577 0.381 11451 5425 1 8 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.832 -1.883 11451 5426 1 8 . 1 1 17 17 ASP H H 17 9.106 9.106 8.169 0.937 11451 5427 1 8 . 1 1 18 18 ASP N N 18 111.686 111.686 117.201 -5.515 11451 5428 1 8 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.574 -0.199 11451 5429 1 8 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.064 -1.041 11451 5430 1 8 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.882 -1.119 11451 5431 1 8 . 1 1 18 18 ASP H H 18 8.584 8.584 8.726 -0.142 11451 5432 1 8 . 1 1 19 19 LYS N N 19 118.003 118.003 116.516 1.487 11451 5433 1 8 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.445 -0.009 11451 5434 1 8 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.627 -0.240 11451 5435 1 8 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.687 0.180 11451 5436 1 8 . 1 1 19 19 LYS H H 19 7.333 7.333 7.413 -0.080 11451 5437 1 8 . 1 1 20 20 ALA N N 20 123.657 123.657 121.427 2.230 11451 5438 1 8 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.046 -0.428 11451 5439 1 8 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.935 -0.818 11451 5440 1 8 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.749 -0.514 11451 5441 1 8 . 1 1 20 20 ALA H H 20 7.560 7.560 8.336 -0.776 11451 5442 1 8 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.321 0.103 11451 5443 1 8 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.661 0.616 11451 5444 1 8 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.921 -0.412 11451 5445 1 8 . 1 1 22 22 GLU N N 22 122.557 122.557 118.629 3.928 11451 5446 1 8 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.178 -0.166 11451 5447 1 8 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.086 0.538 11451 5448 1 8 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.078 -0.599 11451 5449 1 8 . 1 1 22 22 GLU H H 22 9.855 9.855 8.127 1.728 11451 5450 1 8 . 1 1 23 23 THR N N 23 122.201 122.201 118.436 3.765 11451 5451 1 8 . 1 1 23 23 THR HA H 23 3.584 3.584 4.028 -0.444 11451 5452 1 8 . 1 1 23 23 THR CA C 23 66.554 66.554 67.150 -0.596 11451 5453 1 8 . 1 1 23 23 THR CB C 23 67.614 67.614 68.939 -1.325 11451 5454 1 8 . 1 1 23 23 THR H H 23 9.390 9.390 8.690 0.700 11451 5455 1 8 . 1 1 24 24 VAL N N 24 125.111 125.111 121.597 3.514 11451 5456 1 8 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.776 -0.291 11451 5457 1 8 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.853 1.454 11451 5458 1 8 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.251 -0.362 11451 5459 1 8 . 1 1 24 24 VAL H H 24 9.359 9.359 8.564 0.795 11451 5460 1 8 . 1 1 25 25 LYS N N 25 121.050 121.050 120.583 0.467 11451 5461 1 8 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.966 -0.098 11451 5462 1 8 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.675 0.564 11451 5463 1 8 . 1 1 25 25 LYS CB C 25 31.697 31.697 32.016 -0.319 11451 5464 1 8 . 1 1 25 25 LYS H H 25 7.686 7.686 8.524 -0.838 11451 5465 1 8 . 1 1 26 26 ASN N N 26 116.337 116.337 117.839 -1.502 11451 5466 1 8 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.461 -0.405 11451 5467 1 8 . 1 1 26 26 ASN CA C 26 56.559 56.559 55.893 0.666 11451 5468 1 8 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.391 2.301 11451 5469 1 8 . 1 1 26 26 ASN H H 26 7.535 7.535 7.807 -0.272 11451 5470 1 8 . 1 1 27 27 PHE N N 27 119.858 119.858 121.774 -1.916 11451 5471 1 8 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.427 0.112 11451 5472 1 8 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.965 -1.032 11451 5473 1 8 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.163 0.668 11451 5474 1 8 . 1 1 27 27 PHE H H 27 7.867 7.867 8.550 -0.683 11451 5475 1 8 . 1 1 28 28 LEU N N 28 120.761 120.761 119.610 1.151 11451 5476 1 8 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.879 -0.136 11451 5477 1 8 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.134 -0.266 11451 5478 1 8 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.430 -0.176 11451 5479 1 8 . 1 1 28 28 LEU H H 28 9.377 9.377 8.728 0.649 11451 5480 1 8 . 1 1 29 29 ASP N N 29 121.607 121.607 119.502 2.105 11451 5481 1 8 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.323 -0.028 11451 5482 1 8 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.657 0.172 11451 5483 1 8 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.473 -1.447 11451 5484 1 8 . 1 1 29 29 ASP H H 29 8.374 8.374 8.502 -0.128 11451 5485 1 8 . 1 1 30 30 TYR N N 30 118.959 118.959 119.653 -0.694 11451 5486 1 8 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.288 -0.283 11451 5487 1 8 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.868 -0.121 11451 5488 1 8 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.290 -0.551 11451 5489 1 8 . 1 1 30 30 TYR H H 30 7.287 7.287 7.761 -0.474 11451 5490 1 8 . 1 1 31 31 CYS N N 31 116.202 116.202 118.116 -1.914 11451 5491 1 8 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.190 -0.156 11451 5492 1 8 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.633 0.770 11451 5493 1 8 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.413 -0.192 11451 5494 1 8 . 1 1 31 31 CYS H H 31 8.336 8.336 8.194 0.142 11451 5495 1 8 . 1 1 32 32 ARG N N 32 121.949 121.949 120.944 1.005 11451 5496 1 8 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.108 -0.246 11451 5497 1 8 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.940 0.779 11451 5498 1 8 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.087 0.287 11451 5499 1 8 . 1 1 32 32 ARG H H 32 9.077 9.077 8.334 0.743 11451 5500 1 8 . 1 1 33 33 GLU N N 33 116.667 116.667 116.478 0.189 11451 5501 1 8 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.333 -0.146 11451 5502 1 8 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.463 -0.015 11451 5503 1 8 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.551 -0.293 11451 5504 1 8 . 1 1 33 33 GLU H H 33 7.920 7.920 7.845 0.075 11451 5505 1 8 . 1 1 34 34 GLY N N 34 107.273 107.273 106.586 0.687 11451 5506 1 8 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.160 0.238 11451 5507 1 8 . 1 1 34 34 GLY H H 34 7.533 7.533 7.611 -0.078 11451 5508 1 8 . 1 1 35 35 PHE N N 35 122.134 122.134 121.425 0.709 11451 5509 1 8 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.271 -0.606 11451 5510 1 8 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.369 2.236 11451 5511 1 8 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.699 0.371 11451 5512 1 8 . 1 1 35 35 PHE H H 35 8.129 8.129 8.617 -0.488 11451 5513 1 8 . 1 1 36 36 TYR N N 36 111.250 111.250 114.820 -3.570 11451 5514 1 8 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.320 0.004 11451 5515 1 8 . 1 1 36 36 TYR CA C 36 57.678 57.678 57.824 -0.146 11451 5516 1 8 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.703 -1.243 11451 5517 1 8 . 1 1 36 36 TYR H H 36 7.355 7.355 8.322 -0.967 11451 5518 1 8 . 1 1 37 37 ASN N N 37 121.890 121.890 119.552 2.338 11451 5519 1 8 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.571 -0.746 11451 5520 1 8 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.055 0.124 11451 5521 1 8 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.703 -2.848 11451 5522 1 8 . 1 1 37 37 ASN H H 37 7.106 7.106 7.456 -0.350 11451 5523 1 8 . 1 1 38 38 ASN N N 38 121.572 121.572 121.610 -0.038 11451 5524 1 8 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.406 -0.358 11451 5525 1 8 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.495 0.225 11451 5526 1 8 . 1 1 38 38 ASN CB C 38 38.538 38.538 38.109 0.429 11451 5527 1 8 . 1 1 38 38 ASN H H 38 9.235 9.235 8.514 0.721 11451 5528 1 8 . 1 1 39 39 THR N N 39 104.540 104.540 107.336 -2.796 11451 5529 1 8 . 1 1 39 39 THR HA H 39 5.006 5.006 5.145 -0.139 11451 5530 1 8 . 1 1 39 39 THR CA C 39 59.979 59.979 59.792 0.187 11451 5531 1 8 . 1 1 39 39 THR CB C 39 72.789 72.789 71.448 1.341 11451 5532 1 8 . 1 1 39 39 THR H H 39 7.328 7.328 7.383 -0.055 11451 5533 1 8 . 1 1 40 40 ILE N N 40 108.904 108.904 114.829 -5.925 11451 5534 1 8 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.086 0.583 11451 5535 1 8 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.452 0.348 11451 5536 1 8 . 1 1 40 40 ILE CB C 40 39.724 39.724 41.907 -2.183 11451 5537 1 8 . 1 1 40 40 ILE H H 40 7.943 7.943 8.316 -0.373 11451 5538 1 8 . 1 1 41 41 PHE N N 41 122.068 122.068 122.524 -0.456 11451 5539 1 8 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.719 0.241 11451 5540 1 8 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.881 0.936 11451 5541 1 8 . 1 1 41 41 PHE CB C 41 37.410 37.410 37.263 0.147 11451 5542 1 8 . 1 1 41 41 PHE H H 41 8.289 8.289 8.794 -0.505 11451 5543 1 8 . 1 1 42 42 HIS N N 42 121.477 121.477 122.259 -0.782 11451 5544 1 8 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.255 0.021 11451 5545 1 8 . 1 1 42 42 HIS CA C 42 56.598 56.598 58.949 -2.351 11451 5546 1 8 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.570 1.093 11451 5547 1 8 . 1 1 42 42 HIS H H 42 7.862 7.862 7.880 -0.018 11451 5548 1 8 . 1 1 43 43 ARG N N 43 123.403 123.403 116.105 7.298 11451 5549 1 8 . 1 1 43 43 ARG HA H 43 4.616 4.616 5.038 -0.422 11451 5550 1 8 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.005 1.313 11451 5551 1 8 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.076 -0.801 11451 5552 1 8 . 1 1 43 43 ARG H H 43 6.933 6.933 7.630 -0.697 11451 5553 1 8 . 1 1 44 44 VAL N N 44 129.359 129.359 123.021 6.338 11451 5554 1 8 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.468 -0.328 11451 5555 1 8 . 1 1 44 44 VAL CA C 44 62.374 62.374 60.737 1.637 11451 5556 1 8 . 1 1 44 44 VAL CB C 44 35.191 35.191 34.831 0.360 11451 5557 1 8 . 1 1 44 44 VAL H H 44 9.023 9.023 8.899 0.124 11451 5558 1 8 . 1 1 45 45 ILE N N 45 126.532 126.532 125.221 1.311 11451 5559 1 8 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.501 -0.265 11451 5560 1 8 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.876 0.588 11451 5561 1 8 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.916 -1.966 11451 5562 1 8 . 1 1 45 45 ILE H H 45 8.243 8.243 8.058 0.185 11451 5563 1 8 . 1 1 46 46 ASN N N 46 128.015 128.015 127.459 0.556 11451 5564 1 8 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.562 -0.401 11451 5565 1 8 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.105 0.236 11451 5566 1 8 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.645 -1.971 11451 5567 1 8 . 1 1 46 46 ASN H H 46 9.127 9.127 8.723 0.404 11451 5568 1 8 . 1 1 47 47 GLY N N 47 110.314 110.314 107.155 3.159 11451 5569 1 8 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.527 0.103 11451 5570 1 8 . 1 1 47 47 GLY H H 47 7.542 7.542 8.856 -1.314 11451 5571 1 8 . 1 1 48 48 PHE N N 48 116.701 116.701 118.082 -1.381 11451 5572 1 8 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.857 0.285 11451 5573 1 8 . 1 1 48 48 PHE CA C 48 57.500 57.500 55.996 1.504 11451 5574 1 8 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.374 -3.046 11451 5575 1 8 . 1 1 48 48 PHE H H 48 7.800 7.800 7.629 0.171 11451 5576 1 8 . 1 1 49 49 MET N N 49 117.710 117.710 117.644 0.066 11451 5577 1 8 . 1 1 49 49 MET HA H 49 5.027 5.027 4.563 0.464 11451 5578 1 8 . 1 1 49 49 MET CA C 49 55.009 55.009 53.477 1.532 11451 5579 1 8 . 1 1 49 49 MET CB C 49 35.120 35.120 33.343 1.777 11451 5580 1 8 . 1 1 49 49 MET H H 49 8.363 8.363 6.918 1.446 11451 5581 1 8 . 1 1 50 50 ILE N N 50 110.774 110.774 113.022 -2.248 11451 5582 1 8 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.885 -0.018 11451 5583 1 8 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.246 0.489 11451 5584 1 8 . 1 1 50 50 ILE CB C 50 40.261 40.261 41.270 -1.009 11451 5585 1 8 . 1 1 50 50 ILE H H 50 7.749 7.749 7.692 0.057 11451 5586 1 8 . 1 1 51 51 GLN N N 51 127.997 127.997 125.375 2.622 11451 5587 1 8 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.966 0.235 11451 5588 1 8 . 1 1 51 51 GLN CA C 51 54.052 54.052 54.222 -0.170 11451 5589 1 8 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.373 -0.689 11451 5590 1 8 . 1 1 51 51 GLN H H 51 9.198 9.198 8.261 0.937 11451 5591 1 8 . 1 1 52 52 GLY N N 52 111.413 111.413 109.443 1.970 11451 5592 1 8 . 1 1 52 52 GLY CA C 52 45.293 45.293 43.753 1.540 11451 5593 1 8 . 1 1 52 52 GLY H H 52 8.037 8.037 8.507 -0.470 11451 5594 1 8 . 1 1 53 53 GLY N N 53 106.177 106.177 107.529 -1.352 11451 5595 1 8 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.300 -0.223 11451 5596 1 8 . 1 1 53 53 GLY H H 53 8.334 8.334 8.386 -0.052 11451 5597 1 8 . 1 1 54 54 GLY N N 54 129.939 129.939 107.221 22.718 11451 5598 1 8 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.986 -0.574 11451 5599 1 8 . 1 1 54 54 GLY H H 54 9.068 9.068 7.795 1.273 11451 5600 1 8 . 1 1 55 55 PHE N N 55 121.195 121.195 116.251 4.944 11451 5601 1 8 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.749 0.138 11451 5602 1 8 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.425 0.273 11451 5603 1 8 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.605 -0.759 11451 5604 1 8 . 1 1 55 55 PHE H H 55 9.329 9.329 7.259 2.070 11451 5605 1 8 . 1 1 56 56 GLU N N 56 120.126 120.126 119.559 0.567 11451 5606 1 8 . 1 1 56 56 GLU HA H 56 4.848 4.848 4.898 -0.050 11451 5607 1 8 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.428 0.771 11451 5608 1 8 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.296 -0.844 11451 5609 1 8 . 1 1 56 56 GLU H H 56 8.531 8.531 8.066 0.465 11451 5610 1 8 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.314 -0.324 11451 5611 1 8 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.498 0.366 11451 5612 1 8 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.603 -0.735 11451 5613 1 8 . 1 1 58 58 GLY N N 58 113.477 113.477 104.701 8.776 11451 5614 1 8 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.140 0.226 11451 5615 1 8 . 1 1 58 58 GLY H H 58 9.454 9.454 7.985 1.469 11451 5616 1 8 . 1 1 59 59 MET N N 59 114.007 114.007 116.130 -2.123 11451 5617 1 8 . 1 1 59 59 MET HA H 59 3.946 3.946 3.751 0.195 11451 5618 1 8 . 1 1 59 59 MET CA C 59 54.650 54.650 55.811 -1.161 11451 5619 1 8 . 1 1 59 59 MET CB C 59 25.875 25.875 29.075 -3.200 11451 5620 1 8 . 1 1 59 59 MET H H 59 8.027 8.027 7.734 0.292 11451 5621 1 8 . 1 1 60 60 LYS N N 60 120.420 120.420 120.195 0.225 11451 5622 1 8 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.424 0.042 11451 5623 1 8 . 1 1 60 60 LYS CA C 60 54.958 54.958 56.112 -1.154 11451 5624 1 8 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.700 -0.390 11451 5625 1 8 . 1 1 60 60 LYS H H 60 6.996 6.996 7.619 -0.623 11451 5626 1 8 . 1 1 61 61 GLN N N 61 130.250 130.250 126.042 4.208 11451 5627 1 8 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.201 -0.815 11451 5628 1 8 . 1 1 61 61 GLN CA C 61 56.779 56.779 55.958 0.821 11451 5629 1 8 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.303 -0.862 11451 5630 1 8 . 1 1 61 61 GLN H H 61 8.965 8.965 8.743 0.222 11451 5631 1 8 . 1 1 62 62 LYS N N 62 126.196 126.196 126.227 -0.031 11451 5632 1 8 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.254 -0.124 11451 5633 1 8 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.922 0.768 11451 5634 1 8 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.560 0.211 11451 5635 1 8 . 1 1 62 62 LYS H H 62 7.323 7.323 8.206 -0.883 11451 5636 1 8 . 1 1 63 63 ALA N N 63 127.588 127.588 125.864 1.724 11451 5637 1 8 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.533 -0.249 11451 5638 1 8 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.240 1.405 11451 5639 1 8 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.349 1.024 11451 5640 1 8 . 1 1 63 63 ALA H H 63 8.458 8.458 8.769 -0.311 11451 5641 1 8 . 1 1 64 64 THR N N 64 111.370 111.370 114.307 -2.937 11451 5642 1 8 . 1 1 64 64 THR HA H 64 4.550 4.550 4.293 0.257 11451 5643 1 8 . 1 1 64 64 THR CA C 64 60.554 60.554 62.247 -1.693 11451 5644 1 8 . 1 1 64 64 THR CB C 64 71.700 71.700 69.238 2.462 11451 5645 1 8 . 1 1 64 64 THR H H 64 8.122 8.122 7.765 0.357 11451 5646 1 8 . 1 1 65 65 LYS N N 65 118.451 118.451 125.816 -7.365 11451 5647 1 8 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.546 -0.127 11451 5648 1 8 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.026 0.320 11451 5649 1 8 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.449 -2.967 11451 5650 1 8 . 1 1 65 65 LYS H H 65 7.879 7.879 8.176 -0.297 11451 5651 1 8 . 1 1 66 66 GLU N N 66 118.805 118.805 119.412 -0.607 11451 5652 1 8 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.124 0.033 11451 5653 1 8 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.298 -0.416 11451 5654 1 8 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.161 0.189 11451 5655 1 8 . 1 1 66 66 GLU H H 66 7.872 7.872 8.655 -0.783 11451 5656 1 8 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.521 0.333 11451 5657 1 8 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.336 -1.181 11451 5658 1 8 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.261 0.429 11451 5659 1 8 . 1 1 68 68 ILE N N 68 112.686 112.686 124.273 -11.587 11451 5660 1 8 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.520 -0.083 11451 5661 1 8 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.845 -0.874 11451 5662 1 8 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.584 0.941 11451 5663 1 8 . 1 1 68 68 ILE H H 68 8.235 8.235 8.411 -0.176 11451 5664 1 8 . 1 1 69 69 LYS N N 69 121.199 121.199 121.681 -0.482 11451 5665 1 8 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.516 -0.575 11451 5666 1 8 . 1 1 69 69 LYS CA C 69 55.060 55.060 56.013 -0.953 11451 5667 1 8 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.631 -0.491 11451 5668 1 8 . 1 1 69 69 LYS H H 69 7.849 7.849 8.278 -0.429 11451 5669 1 8 . 1 1 70 70 ASN N N 70 126.585 126.585 119.578 7.007 11451 5670 1 8 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.334 -0.112 11451 5671 1 8 . 1 1 70 70 ASN CA C 70 53.328 53.328 55.937 -2.609 11451 5672 1 8 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.858 -1.721 11451 5673 1 8 . 1 1 70 70 ASN H H 70 10.816 10.816 8.913 1.903 11451 5674 1 8 . 1 1 71 71 GLU N N 71 126.223 126.223 112.240 13.983 11451 5675 1 8 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.259 0.394 11451 5676 1 8 . 1 1 71 71 GLU CA C 71 55.597 55.597 58.322 -2.725 11451 5677 1 8 . 1 1 71 71 GLU CB C 71 29.780 29.780 28.278 1.502 11451 5678 1 8 . 1 1 71 71 GLU H H 71 8.202 8.202 8.923 -0.721 11451 5679 1 8 . 1 1 72 72 ALA N N 72 120.736 120.736 121.184 -0.448 11451 5680 1 8 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.243 -0.011 11451 5681 1 8 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.495 0.625 11451 5682 1 8 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.040 -0.534 11451 5683 1 8 . 1 1 72 72 ALA H H 72 9.149 9.149 8.207 0.942 11451 5684 1 8 . 1 1 73 73 ASN N N 73 114.744 114.744 117.313 -2.569 11451 5685 1 8 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.779 0.402 11451 5686 1 8 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.548 -1.217 11451 5687 1 8 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.179 -1.503 11451 5688 1 8 . 1 1 73 73 ASN H H 73 7.892 7.892 8.747 -0.855 11451 5689 1 8 . 1 1 74 74 ASN N N 74 119.796 119.796 117.941 1.855 11451 5690 1 8 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.509 -0.130 11451 5691 1 8 . 1 1 74 74 ASN CA C 74 52.767 52.767 52.916 -0.150 11451 5692 1 8 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.252 0.163 11451 5693 1 8 . 1 1 74 74 ASN H H 74 8.408 8.408 7.350 1.058 11451 5694 1 8 . 1 1 75 75 GLY N N 75 108.891 108.891 108.614 0.277 11451 5695 1 8 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.387 0.240 11451 5696 1 8 . 1 1 75 75 GLY H H 75 7.971 7.971 7.550 0.421 11451 5697 1 8 . 1 1 76 76 LEU N N 76 120.602 120.602 120.556 0.046 11451 5698 1 8 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.426 -0.115 11451 5699 1 8 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.956 -0.357 11451 5700 1 8 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.816 -1.728 11451 5701 1 8 . 1 1 76 76 LEU H H 76 7.734 7.734 8.014 -0.280 11451 5702 1 8 . 1 1 77 77 LYS N N 77 121.982 121.982 118.381 3.601 11451 5703 1 8 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.785 -0.335 11451 5704 1 8 . 1 1 77 77 LYS CA C 77 55.001 55.001 55.041 -0.040 11451 5705 1 8 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.370 -0.670 11451 5706 1 8 . 1 1 77 77 LYS H H 77 8.161 8.161 8.275 -0.114 11451 5707 1 8 . 1 1 78 78 ASN N N 78 124.764 124.764 124.176 0.588 11451 5708 1 8 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.059 -0.392 11451 5709 1 8 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.186 1.128 11451 5710 1 8 . 1 1 78 78 ASN CB C 78 37.130 37.130 38.158 -1.028 11451 5711 1 8 . 1 1 78 78 ASN H H 78 9.564 9.564 9.438 0.126 11451 5712 1 8 . 1 1 79 79 THR N N 79 114.955 114.955 112.012 2.943 11451 5713 1 8 . 1 1 79 79 THR HA H 79 4.263 4.263 4.800 -0.537 11451 5714 1 8 . 1 1 79 79 THR CA C 79 60.774 60.774 60.160 0.614 11451 5715 1 8 . 1 1 79 79 THR CB C 79 70.347 70.347 71.032 -0.685 11451 5716 1 8 . 1 1 79 79 THR H H 79 8.190 8.190 8.041 0.149 11451 5717 1 8 . 1 1 80 80 ARG N N 80 124.080 124.080 124.206 -0.126 11451 5718 1 8 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.921 -0.718 11451 5719 1 8 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.909 0.578 11451 5720 1 8 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.991 -1.082 11451 5721 1 8 . 1 1 80 80 ARG H H 80 9.203 9.203 9.115 0.088 11451 5722 1 8 . 1 1 81 81 GLY N N 81 115.741 115.741 115.042 0.699 11451 5723 1 8 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.190 -0.119 11451 5724 1 8 . 1 1 81 81 GLY H H 81 8.976 8.976 9.247 -0.271 11451 5725 1 8 . 1 1 82 82 THR N N 82 110.362 110.362 112.103 -1.741 11451 5726 1 8 . 1 1 82 82 THR HA H 82 4.623 4.623 4.615 0.008 11451 5727 1 8 . 1 1 82 82 THR CA C 82 61.694 61.694 59.907 1.787 11451 5728 1 8 . 1 1 82 82 THR CB C 82 72.230 72.230 71.354 0.876 11451 5729 1 8 . 1 1 82 82 THR H H 82 8.070 8.070 7.687 0.383 11451 5730 1 8 . 1 1 83 83 LEU N N 83 121.341 121.341 123.209 -1.868 11451 5731 1 8 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.323 -0.104 11451 5732 1 8 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.943 0.407 11451 5733 1 8 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.706 -2.187 11451 5734 1 8 . 1 1 83 83 LEU H H 83 7.918 7.918 8.349 -0.431 11451 5735 1 8 . 1 1 84 84 ALA N N 84 121.663 121.663 124.235 -2.572 11451 5736 1 8 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.378 0.139 11451 5737 1 8 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.532 -0.463 11451 5738 1 8 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.712 1.274 11451 5739 1 8 . 1 1 84 84 ALA H H 84 8.053 8.053 8.034 0.019 11451 5740 1 8 . 1 1 85 85 MET N N 85 115.338 115.338 117.503 -2.165 11451 5741 1 8 . 1 1 85 85 MET HA H 85 5.241 5.241 4.939 0.302 11451 5742 1 8 . 1 1 85 85 MET CA C 85 52.707 52.707 55.272 -2.565 11451 5743 1 8 . 1 1 85 85 MET CB C 85 29.801 29.801 33.501 -3.700 11451 5744 1 8 . 1 1 85 85 MET H H 85 7.539 7.539 8.108 -0.569 11451 5745 1 8 . 1 1 86 86 ALA N N 86 126.558 126.558 124.517 2.041 11451 5746 1 8 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.958 -0.275 11451 5747 1 8 . 1 1 86 86 ALA CA C 86 51.207 51.207 50.991 0.216 11451 5748 1 8 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.879 -1.463 11451 5749 1 8 . 1 1 86 86 ALA H H 86 8.287 8.287 8.576 -0.289 11451 5750 1 8 . 1 1 87 87 ARG N N 87 113.623 113.623 117.737 -4.114 11451 5751 1 8 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.674 -0.040 11451 5752 1 8 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.090 0.678 11451 5753 1 8 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.576 -2.854 11451 5754 1 8 . 1 1 87 87 ARG H H 87 8.031 8.031 8.371 -0.340 11451 5755 1 8 . 1 1 88 88 THR N N 88 111.627 111.627 115.468 -3.841 11451 5756 1 8 . 1 1 88 88 THR HA H 88 4.624 4.624 4.252 0.372 11451 5757 1 8 . 1 1 88 88 THR CA C 88 60.554 60.554 65.077 -4.523 11451 5758 1 8 . 1 1 88 88 THR CB C 88 68.430 68.430 69.600 -1.169 11451 5759 1 8 . 1 1 88 88 THR H H 88 7.892 7.892 8.494 -0.602 11451 5760 1 8 . 1 1 89 89 GLN N N 89 117.361 117.361 115.990 1.371 11451 5761 1 8 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.497 -0.646 11451 5762 1 8 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.473 2.438 11451 5763 1 8 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.121 -1.751 11451 5764 1 8 . 1 1 89 89 GLN H H 89 8.188 8.188 8.290 -0.102 11451 5765 1 8 . 1 1 90 90 ALA N N 90 122.998 122.998 125.017 -2.019 11451 5766 1 8 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.635 -0.289 11451 5767 1 8 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.073 -0.347 11451 5768 1 8 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.919 -0.745 11451 5769 1 8 . 1 1 90 90 ALA H H 90 7.962 7.962 8.153 -0.191 11451 5770 1 8 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.912 -0.444 11451 5771 1 8 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.371 1.066 11451 5772 1 8 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.456 -1.488 11451 5773 1 8 . 1 1 92 92 HIS N N 92 118.470 118.470 114.055 4.415 11451 5774 1 8 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.959 -0.135 11451 5775 1 8 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.238 -1.037 11451 5776 1 8 . 1 1 92 92 HIS CB C 92 28.309 28.309 28.984 -0.675 11451 5777 1 8 . 1 1 92 92 HIS H H 92 7.977 7.977 7.956 0.021 11451 5778 1 8 . 1 1 93 93 SER N N 93 108.425 108.425 114.894 -6.469 11451 5779 1 8 . 1 1 93 93 SER HA H 93 4.380 4.380 4.615 -0.235 11451 5780 1 8 . 1 1 93 93 SER CA C 93 57.696 57.696 57.911 -0.215 11451 5781 1 8 . 1 1 93 93 SER CB C 93 65.924 65.924 63.886 2.038 11451 5782 1 8 . 1 1 93 93 SER H H 93 6.374 6.374 7.703 -1.329 11451 5783 1 8 . 1 1 94 94 ALA N N 94 130.109 130.109 125.531 4.578 11451 5784 1 8 . 1 1 94 94 ALA HA H 94 4.276 4.276 4.948 -0.672 11451 5785 1 8 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.313 2.860 11451 5786 1 8 . 1 1 94 94 ALA CB C 94 20.366 20.366 19.175 1.190 11451 5787 1 8 . 1 1 94 94 ALA H H 94 8.543 8.543 7.378 1.165 11451 5788 1 8 . 1 1 95 95 THR N N 95 110.794 110.794 116.064 -5.270 11451 5789 1 8 . 1 1 95 95 THR HA H 95 4.722 4.722 4.454 0.268 11451 5790 1 8 . 1 1 95 95 THR CA C 95 59.725 59.725 63.477 -3.752 11451 5791 1 8 . 1 1 95 95 THR CB C 95 70.157 70.157 69.605 0.552 11451 5792 1 8 . 1 1 95 95 THR H H 95 8.925 8.925 8.123 0.802 11451 5793 1 8 . 1 1 96 96 ALA N N 96 121.615 121.615 123.767 -2.152 11451 5794 1 8 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.850 -0.423 11451 5795 1 8 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.850 -0.314 11451 5796 1 8 . 1 1 96 96 ALA CB C 96 23.216 23.216 18.893 4.323 11451 5797 1 8 . 1 1 96 96 ALA H H 96 7.954 7.954 8.147 -0.193 11451 5798 1 8 . 1 1 97 97 GLN N N 97 115.548 115.548 117.971 -2.423 11451 5799 1 8 . 1 1 97 97 GLN HA H 97 4.629 4.629 5.099 -0.470 11451 5800 1 8 . 1 1 97 97 GLN CA C 97 57.388 57.388 55.013 2.375 11451 5801 1 8 . 1 1 97 97 GLN CB C 97 30.757 30.757 32.267 -1.510 11451 5802 1 8 . 1 1 97 97 GLN H H 97 7.866 7.866 8.099 -0.233 11451 5803 1 8 . 1 1 98 98 PHE N N 98 117.593 117.593 118.754 -1.161 11451 5804 1 8 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.548 0.240 11451 5805 1 8 . 1 1 98 98 PHE CA C 98 54.655 54.655 56.264 -1.609 11451 5806 1 8 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.263 -0.038 11451 5807 1 8 . 1 1 98 98 PHE H H 98 7.623 7.623 8.519 -0.896 11451 5808 1 8 . 1 1 99 99 PHE N N 99 116.226 116.226 114.862 1.364 11451 5809 1 8 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.283 0.449 11451 5810 1 8 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.637 -0.588 11451 5811 1 8 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.229 1.791 11451 5812 1 8 . 1 1 99 99 PHE H H 99 9.518 9.518 8.749 0.769 11451 5813 1 8 . 1 1 100 100 ILE N N 100 117.687 117.687 120.603 -2.916 11451 5814 1 8 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.809 0.018 11451 5815 1 8 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.236 -0.887 11451 5816 1 8 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.689 -0.020 11451 5817 1 8 . 1 1 100 100 ILE H H 100 9.136 9.136 8.783 0.353 11451 5818 1 8 . 1 1 101 101 ASN N N 101 126.524 126.524 127.741 -1.217 11451 5819 1 8 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.781 -0.322 11451 5820 1 8 . 1 1 101 101 ASN CA C 101 55.733 55.733 52.973 2.760 11451 5821 1 8 . 1 1 101 101 ASN CB C 101 39.926 39.926 37.920 2.006 11451 5822 1 8 . 1 1 101 101 ASN H H 101 8.877 8.877 9.275 -0.398 11451 5823 1 8 . 1 1 102 102 VAL N N 102 117.660 117.660 124.042 -6.382 11451 5824 1 8 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.919 0.492 11451 5825 1 8 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.922 -2.015 11451 5826 1 8 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.476 -2.106 11451 5827 1 8 . 1 1 102 102 VAL H H 102 7.700 7.700 7.844 -0.144 11451 5828 1 8 . 1 1 103 103 VAL N N 103 116.637 116.637 112.124 4.513 11451 5829 1 8 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.442 -0.089 11451 5830 1 8 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.608 1.050 11451 5831 1 8 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.706 0.804 11451 5832 1 8 . 1 1 103 103 VAL H H 103 7.753 7.753 7.252 0.501 11451 5833 1 8 . 1 1 104 104 ASP N N 104 118.510 118.510 121.029 -2.519 11451 5834 1 8 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.605 -0.350 11451 5835 1 8 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.045 0.455 11451 5836 1 8 . 1 1 104 104 ASP CB C 104 39.088 39.088 40.799 -1.711 11451 5837 1 8 . 1 1 104 104 ASP H H 104 8.171 8.171 8.454 -0.283 11451 5838 1 8 . 1 1 105 105 ASN N N 105 128.132 128.132 124.203 3.929 11451 5839 1 8 . 1 1 105 105 ASN HA H 105 5.079 5.079 5.216 -0.137 11451 5840 1 8 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.525 -0.996 11451 5841 1 8 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.172 -0.037 11451 5842 1 8 . 1 1 105 105 ASN H H 105 8.352 8.352 8.913 -0.561 11451 5843 1 8 . 1 1 106 106 ASP N N 106 121.636 121.636 120.399 1.237 11451 5844 1 8 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.672 -0.401 11451 5845 1 8 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.720 0.067 11451 5846 1 8 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.798 -0.993 11451 5847 1 8 . 1 1 106 106 ASP H H 106 8.203 8.203 8.627 -0.424 11451 5848 1 8 . 1 1 107 107 PHE N N 107 114.525 114.525 116.260 -1.735 11451 5849 1 8 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.582 -0.084 11451 5850 1 8 . 1 1 107 107 PHE CA C 107 57.395 57.395 58.577 -1.182 11451 5851 1 8 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.374 -1.594 11451 5852 1 8 . 1 1 107 107 PHE H H 107 7.388 7.388 7.995 -0.607 11451 5853 1 8 . 1 1 108 108 LEU N N 108 121.576 121.576 118.413 3.163 11451 5854 1 8 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.352 0.114 11451 5855 1 8 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.002 -0.524 11451 5856 1 8 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.152 0.947 11451 5857 1 8 . 1 1 108 108 LEU H H 108 7.163 7.163 7.429 -0.266 11451 5858 1 8 . 1 1 109 109 ASN N N 109 116.121 116.121 117.963 -1.842 11451 5859 1 8 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.898 0.251 11451 5860 1 8 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.245 -0.275 11451 5861 1 8 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.142 -1.022 11451 5862 1 8 . 1 1 109 109 ASN H H 109 7.312 7.312 7.489 -0.177 11451 5863 1 8 . 1 1 110 110 PHE N N 110 124.182 124.182 119.415 4.767 11451 5864 1 8 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.690 -0.438 11451 5865 1 8 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.432 -0.377 11451 5866 1 8 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.416 -0.623 11451 5867 1 8 . 1 1 110 110 PHE H H 110 8.825 8.825 8.876 -0.051 11451 5868 1 8 . 1 1 111 111 SER N N 111 122.136 122.136 119.828 2.308 11451 5869 1 8 . 1 1 111 111 SER HA H 111 4.179 4.179 4.346 -0.168 11451 5870 1 8 . 1 1 111 111 SER CA C 111 57.521 57.521 57.902 -0.381 11451 5871 1 8 . 1 1 111 111 SER CB C 111 64.617 64.617 64.345 0.272 11451 5872 1 8 . 1 1 111 111 SER H H 111 9.456 9.456 7.889 1.567 11451 5873 1 8 . 1 1 112 112 GLY N N 112 110.435 110.435 107.487 2.948 11451 5874 1 8 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.422 0.956 11451 5875 1 8 . 1 1 112 112 GLY H H 112 5.514 5.514 7.012 -1.498 11451 5876 1 8 . 1 1 113 113 GLU N N 113 118.926 118.926 116.417 2.509 11451 5877 1 8 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.656 -1.009 11451 5878 1 8 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.255 -2.284 11451 5879 1 8 . 1 1 113 113 GLU CB C 113 26.663 26.663 28.908 -2.245 11451 5880 1 8 . 1 1 113 113 GLU H H 113 7.862 7.862 8.055 -0.193 11451 5881 1 8 . 1 1 114 114 SER N N 114 119.323 119.323 112.543 6.780 11451 5882 1 8 . 1 1 114 114 SER HA H 114 4.625 4.625 4.872 -0.247 11451 5883 1 8 . 1 1 114 114 SER CA C 114 56.279 56.279 56.529 -0.250 11451 5884 1 8 . 1 1 114 114 SER H H 114 7.621 7.621 7.550 0.071 11451 5885 1 8 . 1 1 115 115 LEU N N 115 122.373 122.373 127.459 -5.086 11451 5886 1 8 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.800 0.317 11451 5887 1 8 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.544 1.416 11451 5888 1 8 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.716 -0.591 11451 5889 1 8 . 1 1 115 115 LEU H H 115 8.745 8.745 9.100 -0.355 11451 5890 1 8 . 1 1 116 116 GLN N N 116 114.490 114.490 115.673 -1.183 11451 5891 1 8 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.200 0.062 11451 5892 1 8 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.945 0.182 11451 5893 1 8 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.350 -0.153 11451 5894 1 8 . 1 1 116 116 GLN H H 116 8.292 8.292 8.275 0.017 11451 5895 1 8 . 1 1 117 117 GLY N N 117 109.729 109.729 109.084 0.645 11451 5896 1 8 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.858 0.683 11451 5897 1 8 . 1 1 117 117 GLY H H 117 7.832 7.832 8.246 -0.414 11451 5898 1 8 . 1 1 118 118 TRP N N 118 123.807 123.807 123.592 0.215 11451 5899 1 8 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.794 -0.480 11451 5900 1 8 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.101 8.193 11451 5901 1 8 . 1 1 118 118 TRP CB C 118 30.167 30.167 27.607 2.560 11451 5902 1 8 . 1 1 118 118 TRP H H 118 7.801 7.801 7.966 -0.165 11451 5903 1 8 . 1 1 119 119 GLY N N 119 124.815 124.815 112.284 12.531 11451 5904 1 8 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.292 0.027 11451 5905 1 8 . 1 1 119 119 GLY H H 119 7.438 7.438 8.689 -1.251 11451 5906 1 8 . 1 1 120 120 TYR N N 120 119.720 119.720 118.546 1.174 11451 5907 1 8 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.040 0.162 11451 5908 1 8 . 1 1 120 120 TYR CA C 120 57.319 57.319 56.974 0.345 11451 5909 1 8 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.109 -2.370 11451 5910 1 8 . 1 1 120 120 TYR H H 120 8.281 8.281 8.606 -0.325 11451 5911 1 8 . 1 1 121 121 CYS N N 121 126.117 126.117 122.469 3.648 11451 5912 1 8 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.751 -0.512 11451 5913 1 8 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.038 1.659 11451 5914 1 8 . 1 1 121 121 CYS CB C 121 28.010 28.010 29.539 -1.529 11451 5915 1 8 . 1 1 121 121 CYS H H 121 9.818 9.818 9.154 0.664 11451 5916 1 8 . 1 1 122 122 VAL N N 122 106.168 106.168 129.411 -23.243 11451 5917 1 8 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.192 0.371 11451 5918 1 8 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.138 -0.488 11451 5919 1 8 . 1 1 122 122 VAL CB C 122 31.479 31.479 31.058 0.421 11451 5920 1 8 . 1 1 122 122 VAL H H 122 9.382 9.382 8.983 0.399 11451 5921 1 8 . 1 1 123 123 PHE N N 123 118.398 118.398 125.152 -6.754 11451 5922 1 8 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.648 0.213 11451 5923 1 8 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.592 -2.653 11451 5924 1 8 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.561 2.079 11451 5925 1 8 . 1 1 123 123 PHE H H 123 7.842 7.842 8.285 -0.443 11451 5926 1 8 . 1 1 124 124 ALA N N 124 124.412 124.412 118.565 5.847 11451 5927 1 8 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.668 -0.018 11451 5928 1 8 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.470 0.289 11451 5929 1 8 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.705 1.930 11451 5930 1 8 . 1 1 124 124 ALA H H 124 7.327 7.327 7.082 0.245 11451 5931 1 8 . 1 1 125 125 GLU N N 125 115.272 115.272 117.981 -2.709 11451 5932 1 8 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.685 0.086 11451 5933 1 8 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.062 0.589 11451 5934 1 8 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.512 -0.742 11451 5935 1 8 . 1 1 125 125 GLU H H 125 8.223 8.223 8.094 0.129 11451 5936 1 8 . 1 1 126 126 VAL N N 126 123.948 123.948 121.378 2.570 11451 5937 1 8 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.902 0.007 11451 5938 1 8 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.861 -0.596 11451 5939 1 8 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.470 -0.660 11451 5940 1 8 . 1 1 126 126 VAL H H 126 8.786 8.786 8.227 0.559 11451 5941 1 8 . 1 1 127 127 VAL N N 127 123.644 123.644 127.347 -3.703 11451 5942 1 8 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.184 0.166 11451 5943 1 8 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.953 -2.459 11451 5944 1 8 . 1 1 127 127 VAL CB C 127 32.482 32.482 33.210 -0.728 11451 5945 1 8 . 1 1 127 127 VAL H H 127 9.096 9.096 8.900 0.196 11451 5946 1 8 . 1 1 128 128 ASP N N 128 121.165 121.165 118.942 2.223 11451 5947 1 8 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.815 0.107 11451 5948 1 8 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.748 0.653 11451 5949 1 8 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.294 -1.245 11451 5950 1 8 . 1 1 128 128 ASP H H 128 7.719 7.719 7.724 -0.005 11451 5951 1 8 . 1 1 129 129 GLY N N 129 110.821 110.821 108.795 2.026 11451 5952 1 8 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.638 0.123 11451 5953 1 8 . 1 1 129 129 GLY H H 129 8.276 8.276 8.924 -0.648 11451 5954 1 8 . 1 1 130 130 MET N N 130 122.991 122.991 120.867 2.124 11451 5955 1 8 . 1 1 130 130 MET HA H 130 4.468 4.468 4.253 0.215 11451 5956 1 8 . 1 1 130 130 MET CA C 130 55.953 55.953 56.856 -0.903 11451 5957 1 8 . 1 1 130 130 MET CB C 130 28.771 28.771 31.167 -2.396 11451 5958 1 8 . 1 1 130 130 MET H H 130 8.945 8.945 8.452 0.493 11451 5959 1 8 . 1 1 131 131 ASP N N 131 117.183 117.183 118.533 -1.350 11451 5960 1 8 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.433 -0.188 11451 5961 1 8 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.174 -0.535 11451 5962 1 8 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.345 -1.667 11451 5963 1 8 . 1 1 131 131 ASP H H 131 8.924 8.924 8.737 0.187 11451 5964 1 8 . 1 1 132 132 VAL N N 132 124.340 124.340 119.049 5.291 11451 5965 1 8 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.868 -0.429 11451 5966 1 8 . 1 1 132 132 VAL CA C 132 66.015 66.015 64.978 1.036 11451 5967 1 8 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.707 -0.926 11451 5968 1 8 . 1 1 132 132 VAL H H 132 7.222 7.222 7.656 -0.434 11451 5969 1 8 . 1 1 133 133 VAL N N 133 121.730 121.730 121.118 0.612 11451 5970 1 8 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.516 -0.498 11451 5971 1 8 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.746 0.330 11451 5972 1 8 . 1 1 133 133 VAL CB C 133 30.820 30.820 30.823 -0.003 11451 5973 1 8 . 1 1 133 133 VAL H H 133 7.367 7.367 8.213 -0.846 11451 5974 1 8 . 1 1 134 134 ASP N N 134 117.555 117.555 117.508 0.047 11451 5975 1 8 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.342 -0.092 11451 5976 1 8 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.812 -0.549 11451 5977 1 8 . 1 1 134 134 ASP CB C 134 39.812 39.812 40.997 -1.185 11451 5978 1 8 . 1 1 134 134 ASP H H 134 8.411 8.411 8.459 -0.048 11451 5979 1 8 . 1 1 135 135 LYS N N 135 122.646 122.646 119.128 3.518 11451 5980 1 8 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.119 -0.118 11451 5981 1 8 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.773 0.135 11451 5982 1 8 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.581 -0.571 11451 5983 1 8 . 1 1 135 135 LYS H H 135 7.418 7.418 7.308 0.110 11451 5984 1 8 . 1 1 136 136 ILE N N 136 121.613 121.613 118.185 3.428 11451 5985 1 8 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.527 -0.465 11451 5986 1 8 . 1 1 136 136 ILE CA C 136 65.307 65.307 65.192 0.115 11451 5987 1 8 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.753 -0.454 11451 5988 1 8 . 1 1 136 136 ILE H H 136 8.075 8.075 8.194 -0.119 11451 5989 1 8 . 1 1 137 137 LYS N N 137 113.499 113.499 116.075 -2.576 11451 5990 1 8 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.180 -0.436 11451 5991 1 8 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.863 0.025 11451 5992 1 8 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.144 -0.789 11451 5993 1 8 . 1 1 137 137 LYS H H 137 7.976 7.976 7.498 0.478 11451 5994 1 8 . 1 1 138 138 GLY N N 138 104.829 104.829 106.828 -1.999 11451 5995 1 8 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.367 -1.186 11451 5996 1 8 . 1 1 138 138 GLY H H 138 6.858 6.858 7.612 -0.754 11451 5997 1 8 . 1 1 139 139 VAL N N 139 116.189 116.189 117.817 -1.628 11451 5998 1 8 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.987 0.096 11451 5999 1 8 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.054 -2.310 11451 6000 1 8 . 1 1 139 139 VAL CB C 139 32.850 32.850 32.165 0.685 11451 6001 1 8 . 1 1 139 139 VAL H H 139 7.220 7.220 7.806 -0.586 11451 6002 1 8 . 1 1 140 140 ALA N N 140 123.097 123.097 119.933 3.164 11451 6003 1 8 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.520 -0.238 11451 6004 1 8 . 1 1 140 140 ALA CA C 140 52.850 52.850 51.979 0.871 11451 6005 1 8 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.032 -1.660 11451 6006 1 8 . 1 1 140 140 ALA H H 140 8.262 8.262 7.824 0.438 11451 6007 1 8 . 1 1 141 141 THR N N 141 113.326 113.326 112.064 1.262 11451 6008 1 8 . 1 1 141 141 THR HA H 141 4.925 4.925 4.457 0.468 11451 6009 1 8 . 1 1 141 141 THR CA C 141 59.382 59.382 61.263 -1.881 11451 6010 1 8 . 1 1 141 141 THR CB C 141 73.286 73.286 71.128 2.158 11451 6011 1 8 . 1 1 141 141 THR H H 141 8.278 8.278 8.200 0.078 11451 6012 1 8 . 1 1 142 142 GLY N N 142 107.299 107.299 110.498 -3.199 11451 6013 1 8 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.765 -0.593 11451 6014 1 8 . 1 1 142 142 GLY H H 142 8.484 8.484 7.954 0.530 11451 6015 1 8 . 1 1 143 143 ARG N N 143 120.230 120.230 121.942 -1.712 11451 6016 1 8 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.239 0.558 11451 6017 1 8 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.407 -1.207 11451 6018 1 8 . 1 1 143 143 ARG CB C 143 31.351 31.351 31.003 0.348 11451 6019 1 8 . 1 1 143 143 ARG H H 143 8.185 8.185 8.040 0.145 11451 6020 1 8 . 1 1 144 144 SER N N 144 119.429 119.429 117.483 1.946 11451 6021 1 8 . 1 1 144 144 SER HA H 144 4.466 4.466 4.642 -0.176 11451 6022 1 8 . 1 1 144 144 SER CA C 144 56.856 56.856 57.177 -0.321 11451 6023 1 8 . 1 1 144 144 SER CB C 144 63.174 63.174 65.613 -2.439 11451 6024 1 8 . 1 1 144 144 SER H H 144 8.427 8.427 8.431 -0.004 11451 6025 1 8 . 1 1 145 145 GLY N N 145 117.736 117.736 107.939 9.797 11451 6026 1 8 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.517 0.169 11451 6027 1 8 . 1 1 145 145 GLY H H 145 8.902 8.902 8.840 0.062 11451 6028 1 8 . 1 1 146 146 MET N N 146 125.723 125.723 117.811 7.912 11451 6029 1 8 . 1 1 146 146 MET HA H 146 4.315 4.315 4.491 -0.176 11451 6030 1 8 . 1 1 146 146 MET CA C 146 55.431 55.431 55.623 -0.192 11451 6031 1 8 . 1 1 146 146 MET H H 146 8.827 8.827 7.510 1.317 11451 6032 1 8 . 1 1 147 147 HIS N N 147 121.581 121.581 116.615 4.966 11451 6033 1 8 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.826 -0.402 11451 6034 1 8 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.492 0.583 11451 6035 1 8 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.469 -0.876 11451 6036 1 8 . 1 1 147 147 HIS H H 147 8.010 8.010 8.133 -0.123 11451 6037 1 8 . 1 1 148 148 GLN N N 148 121.305 121.305 123.896 -2.591 11451 6038 1 8 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.445 0.025 11451 6039 1 8 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.455 -0.990 11451 6040 1 8 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.630 1.061 11451 6041 1 8 . 1 1 148 148 GLN H H 148 8.681 8.681 8.678 0.003 11451 6042 1 8 . 1 1 149 149 ASP N N 149 117.085 117.085 115.942 1.143 11451 6043 1 8 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.040 0.439 11451 6044 1 8 . 1 1 149 149 ASP H H 149 8.635 8.635 8.800 -0.165 11451 6045 1 8 . 1 1 150 150 VAL N N 150 120.313 120.313 114.053 6.260 11451 6046 1 8 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.626 -0.247 11451 6047 1 8 . 1 1 150 150 VAL CA C 150 59.168 59.168 60.171 -1.003 11451 6048 1 8 . 1 1 150 150 VAL CB C 150 33.080 33.080 31.363 1.717 11451 6049 1 8 . 1 1 150 150 VAL H H 150 8.470 8.470 7.518 0.952 11451 6050 1 8 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.498 -0.084 11451 6051 1 8 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.510 1.426 11451 6052 1 8 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.348 -0.172 11451 6053 1 8 . 1 1 152 152 LYS N N 152 125.675 125.675 119.720 5.955 11451 6054 1 8 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.216 -0.345 11451 6055 1 8 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.422 1.179 11451 6056 1 8 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.754 -0.969 11451 6057 1 8 . 1 1 152 152 LYS H H 152 8.169 8.169 8.538 -0.369 11451 6058 1 8 . 1 1 153 153 GLU N N 153 119.081 119.081 120.842 -1.761 11451 6059 1 8 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.374 0.021 11451 6060 1 8 . 1 1 153 153 GLU CA C 153 54.216 54.216 54.961 -0.745 11451 6061 1 8 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.811 -0.073 11451 6062 1 8 . 1 1 153 153 GLU H H 153 7.960 7.960 8.077 -0.117 11451 6063 1 8 . 1 1 154 154 ASP N N 154 121.884 121.884 121.299 0.585 11451 6064 1 8 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.570 -0.338 11451 6065 1 8 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.745 2.355 11451 6066 1 8 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.682 -0.142 11451 6067 1 8 . 1 1 154 154 ASP H H 154 8.149 8.149 8.594 -0.445 11451 6068 1 8 . 1 1 155 155 VAL N N 155 129.777 129.777 125.180 4.597 11451 6069 1 8 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.586 -0.147 11451 6070 1 8 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.218 1.093 11451 6071 1 8 . 1 1 155 155 VAL CB C 155 31.469 31.469 30.913 0.555 11451 6072 1 8 . 1 1 155 155 VAL H H 155 10.043 10.043 8.627 1.416 11451 6073 1 8 . 1 1 156 156 ILE N N 156 125.807 125.807 123.546 2.261 11451 6074 1 8 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.227 -0.815 11451 6075 1 8 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.719 1.966 11451 6076 1 8 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.824 0.090 11451 6077 1 8 . 1 1 156 156 ILE H H 156 8.252 8.252 9.327 -1.075 11451 6078 1 8 . 1 1 157 157 ILE N N 157 126.581 126.581 125.980 0.601 11451 6079 1 8 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.227 -0.548 11451 6080 1 8 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.944 0.561 11451 6081 1 8 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.844 -0.472 11451 6082 1 8 . 1 1 157 157 ILE H H 157 9.168 9.168 9.160 0.008 11451 6083 1 8 . 1 1 158 158 GLU N N 158 130.185 130.185 128.289 1.896 11451 6084 1 8 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.314 -0.274 11451 6085 1 8 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.185 0.721 11451 6086 1 8 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.852 -0.854 11451 6087 1 8 . 1 1 158 158 GLU H H 158 8.910 8.910 8.582 0.328 11451 6088 1 8 . 1 1 159 159 SER N N 159 108.037 108.037 112.135 -4.098 11451 6089 1 8 . 1 1 159 159 SER HA H 159 4.399 4.399 4.900 -0.501 11451 6090 1 8 . 1 1 159 159 SER CA C 159 57.505 57.505 57.358 0.146 11451 6091 1 8 . 1 1 159 159 SER CB C 159 64.403 64.403 64.829 -0.426 11451 6092 1 8 . 1 1 159 159 SER H H 159 7.772 7.772 8.486 -0.714 11451 6093 1 8 . 1 1 160 160 VAL N N 160 119.790 119.790 122.265 -2.475 11451 6094 1 8 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.345 -0.170 11451 6095 1 8 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.822 -0.257 11451 6096 1 8 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.200 -0.185 11451 6097 1 8 . 1 1 160 160 VAL H H 160 7.681 7.681 8.576 -0.895 11451 6098 1 8 . 1 1 161 161 THR N N 161 122.628 122.628 121.956 0.672 11451 6099 1 8 . 1 1 161 161 THR HA H 161 4.662 4.662 4.746 -0.084 11451 6100 1 8 . 1 1 161 161 THR CA C 161 61.452 61.452 60.997 0.455 11451 6101 1 8 . 1 1 161 161 THR CB C 161 70.781 70.781 71.808 -1.026 11451 6102 1 8 . 1 1 161 161 THR H H 161 8.817 8.817 9.204 -0.387 11451 6103 1 8 . 1 1 162 162 VAL N N 162 129.304 129.304 127.598 1.706 11451 6104 1 8 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.435 0.052 11451 6105 1 8 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.378 -0.621 11451 6106 1 8 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.246 0.236 11451 6107 1 8 . 1 1 162 162 VAL H H 162 9.075 9.075 8.583 0.492 11451 6108 1 8 . 1 1 163 163 SER N N 163 123.979 123.979 123.856 0.123 11451 6109 1 8 . 1 1 163 163 SER HA H 163 4.601 4.601 4.710 -0.109 11451 6110 1 8 . 1 1 163 163 SER CA C 163 57.521 57.521 56.844 0.677 11451 6111 1 8 . 1 1 163 163 SER CB C 163 64.409 64.409 65.411 -1.002 11451 6112 1 8 . 1 1 163 163 SER H H 163 8.727 8.727 8.691 0.036 11451 6113 1 9 . 1 1 2 2 VAL N N 2 123.776 123.776 124.322 -0.546 11451 6114 1 9 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.814 -0.039 11451 6115 1 9 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.813 0.211 11451 6116 1 9 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.686 0.445 11451 6117 1 9 . 1 1 2 2 VAL H H 2 8.961 8.961 9.009 -0.048 11451 6118 1 9 . 1 1 3 3 THR N N 3 121.749 121.749 123.906 -2.157 11451 6119 1 9 . 1 1 3 3 THR HA H 3 5.053 5.053 4.871 0.182 11451 6120 1 9 . 1 1 3 3 THR CA C 3 61.176 61.176 61.757 -0.581 11451 6121 1 9 . 1 1 3 3 THR CB C 3 70.356 70.356 69.464 0.892 11451 6122 1 9 . 1 1 3 3 THR H H 3 8.912 8.912 9.054 -0.142 11451 6123 1 9 . 1 1 4 4 PHE N N 4 125.726 125.726 126.452 -0.726 11451 6124 1 9 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.947 -0.152 11451 6125 1 9 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.272 -1.261 11451 6126 1 9 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.157 -1.436 11451 6127 1 9 . 1 1 4 4 PHE H H 4 9.442 9.442 9.192 0.250 11451 6128 1 9 . 1 1 5 5 HIS N N 5 125.337 125.337 124.137 1.200 11451 6129 1 9 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.059 0.290 11451 6130 1 9 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.003 -0.695 11451 6131 1 9 . 1 1 5 5 HIS CB C 5 26.517 26.517 29.839 -3.322 11451 6132 1 9 . 1 1 5 5 HIS H H 5 8.897 8.897 9.525 -0.628 11451 6133 1 9 . 1 1 6 6 THR N N 6 115.752 115.752 116.944 -1.192 11451 6134 1 9 . 1 1 6 6 THR HA H 6 6.126 6.126 5.058 1.068 11451 6135 1 9 . 1 1 6 6 THR CA C 6 60.220 60.220 59.281 0.939 11451 6136 1 9 . 1 1 6 6 THR CB C 6 72.515 72.515 71.328 1.187 11451 6137 1 9 . 1 1 6 6 THR H H 6 7.881 7.881 8.153 -0.272 11451 6138 1 9 . 1 1 7 7 ASN N N 7 119.451 119.451 124.156 -4.705 11451 6139 1 9 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.546 0.029 11451 6140 1 9 . 1 1 7 7 ASN CA C 7 54.493 54.493 55.015 -0.522 11451 6141 1 9 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.043 -2.709 11451 6142 1 9 . 1 1 7 7 ASN H H 7 9.334 9.334 8.994 0.340 11451 6143 1 9 . 1 1 8 8 HIS N N 8 118.490 118.490 116.825 1.665 11451 6144 1 9 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.776 -0.285 11451 6145 1 9 . 1 1 8 8 HIS CA C 8 56.790 56.790 56.872 -0.082 11451 6146 1 9 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.346 1.288 11451 6147 1 9 . 1 1 8 8 HIS H H 8 8.663 8.663 7.602 1.061 11451 6148 1 9 . 1 1 9 9 GLY N N 9 108.550 108.550 106.635 1.915 11451 6149 1 9 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.520 -0.920 11451 6150 1 9 . 1 1 9 9 GLY H H 9 7.320 7.320 7.585 -0.265 11451 6151 1 9 . 1 1 10 10 ASP N N 10 123.900 123.900 121.621 2.279 11451 6152 1 9 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.241 0.379 11451 6153 1 9 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.694 -0.384 11451 6154 1 9 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.842 -0.342 11451 6155 1 9 . 1 1 10 10 ASP H H 10 8.857 8.857 8.491 0.366 11451 6156 1 9 . 1 1 11 11 ILE N N 11 121.150 121.150 123.345 -2.195 11451 6157 1 9 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.582 -0.246 11451 6158 1 9 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.107 1.169 11451 6159 1 9 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.161 -0.502 11451 6160 1 9 . 1 1 11 11 ILE H H 11 8.638 8.638 8.834 -0.196 11451 6161 1 9 . 1 1 12 12 VAL N N 12 129.487 129.487 124.802 4.685 11451 6162 1 9 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.819 -0.288 11451 6163 1 9 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.416 1.894 11451 6164 1 9 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.526 -2.284 11451 6165 1 9 . 1 1 12 12 VAL H H 12 8.771 8.771 8.923 -0.152 11451 6166 1 9 . 1 1 13 13 ILE N N 13 127.702 127.702 126.833 0.869 11451 6167 1 9 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.721 -0.051 11451 6168 1 9 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.675 0.062 11451 6169 1 9 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.552 0.007 11451 6170 1 9 . 1 1 13 13 ILE H H 13 9.527 9.527 9.108 0.419 11451 6171 1 9 . 1 1 14 14 LYS N N 14 126.574 126.574 126.662 -0.088 11451 6172 1 9 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.599 0.178 11451 6173 1 9 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.469 -0.626 11451 6174 1 9 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.940 0.560 11451 6175 1 9 . 1 1 14 14 LYS H H 14 8.684 8.684 8.692 -0.008 11451 6176 1 9 . 1 1 15 15 THR N N 15 113.811 113.811 116.861 -3.050 11451 6177 1 9 . 1 1 15 15 THR HA H 15 4.130 4.130 4.317 -0.187 11451 6178 1 9 . 1 1 15 15 THR CA C 15 59.806 59.806 60.496 -0.690 11451 6179 1 9 . 1 1 15 15 THR CB C 15 69.319 69.319 69.802 -0.482 11451 6180 1 9 . 1 1 15 15 THR H H 15 8.343 8.343 8.332 0.011 11451 6181 1 9 . 1 1 16 16 PHE N N 16 122.611 122.611 123.618 -1.007 11451 6182 1 9 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.802 0.473 11451 6183 1 9 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.757 -1.467 11451 6184 1 9 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.859 -0.489 11451 6185 1 9 . 1 1 16 16 PHE H H 16 8.315 8.315 8.899 -0.584 11451 6186 1 9 . 1 1 17 17 ASP N N 17 120.182 120.182 122.960 -2.778 11451 6187 1 9 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.557 -0.795 11451 6188 1 9 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.535 0.423 11451 6189 1 9 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.952 -2.003 11451 6190 1 9 . 1 1 17 17 ASP H H 17 9.106 9.106 8.200 0.906 11451 6191 1 9 . 1 1 18 18 ASP N N 18 111.686 111.686 117.729 -6.043 11451 6192 1 9 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.574 -0.199 11451 6193 1 9 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.077 -1.054 11451 6194 1 9 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.848 -1.085 11451 6195 1 9 . 1 1 18 18 ASP H H 18 8.584 8.584 8.771 -0.187 11451 6196 1 9 . 1 1 19 19 LYS N N 19 118.003 118.003 116.493 1.510 11451 6197 1 9 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.452 -0.016 11451 6198 1 9 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.620 -0.233 11451 6199 1 9 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.786 0.081 11451 6200 1 9 . 1 1 19 19 LYS H H 19 7.333 7.333 7.334 -0.001 11451 6201 1 9 . 1 1 20 20 ALA N N 20 123.657 123.657 121.310 2.347 11451 6202 1 9 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.224 -0.606 11451 6203 1 9 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.743 -0.626 11451 6204 1 9 . 1 1 20 20 ALA CB C 20 18.235 18.235 19.072 -0.837 11451 6205 1 9 . 1 1 20 20 ALA H H 20 7.560 7.560 8.177 -0.617 11451 6206 1 9 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.284 0.140 11451 6207 1 9 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.629 0.648 11451 6208 1 9 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.771 -0.263 11451 6209 1 9 . 1 1 22 22 GLU N N 22 122.557 122.557 118.561 3.996 11451 6210 1 9 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.160 -0.148 11451 6211 1 9 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.056 0.568 11451 6212 1 9 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.023 -0.542 11451 6213 1 9 . 1 1 22 22 GLU H H 22 9.855 9.855 8.268 1.587 11451 6214 1 9 . 1 1 23 23 THR N N 23 122.201 122.201 118.130 4.071 11451 6215 1 9 . 1 1 23 23 THR HA H 23 3.584 3.584 4.037 -0.453 11451 6216 1 9 . 1 1 23 23 THR CA C 23 66.554 66.554 67.075 -0.521 11451 6217 1 9 . 1 1 23 23 THR CB C 23 67.614 67.614 68.947 -1.333 11451 6218 1 9 . 1 1 23 23 THR H H 23 9.390 9.390 8.557 0.833 11451 6219 1 9 . 1 1 24 24 VAL N N 24 125.111 125.111 121.529 3.582 11451 6220 1 9 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.749 -0.264 11451 6221 1 9 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.907 1.400 11451 6222 1 9 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.345 -0.456 11451 6223 1 9 . 1 1 24 24 VAL H H 24 9.359 9.359 8.551 0.808 11451 6224 1 9 . 1 1 25 25 LYS N N 25 121.050 121.050 120.269 0.781 11451 6225 1 9 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.956 -0.088 11451 6226 1 9 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.543 0.696 11451 6227 1 9 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.890 -0.193 11451 6228 1 9 . 1 1 25 25 LYS H H 25 7.686 7.686 8.428 -0.742 11451 6229 1 9 . 1 1 26 26 ASN N N 26 116.337 116.337 117.183 -0.846 11451 6230 1 9 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.450 -0.394 11451 6231 1 9 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.148 0.411 11451 6232 1 9 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.482 2.210 11451 6233 1 9 . 1 1 26 26 ASN H H 26 7.535 7.535 7.580 -0.045 11451 6234 1 9 . 1 1 27 27 PHE N N 27 119.858 119.858 122.006 -2.148 11451 6235 1 9 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.448 0.091 11451 6236 1 9 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.501 -0.568 11451 6237 1 9 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.117 0.714 11451 6238 1 9 . 1 1 27 27 PHE H H 27 7.867 7.867 8.027 -0.160 11451 6239 1 9 . 1 1 28 28 LEU N N 28 120.761 120.761 119.727 1.034 11451 6240 1 9 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.829 -0.086 11451 6241 1 9 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.002 -0.134 11451 6242 1 9 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.348 -0.094 11451 6243 1 9 . 1 1 28 28 LEU H H 28 9.377 9.377 8.752 0.625 11451 6244 1 9 . 1 1 29 29 ASP N N 29 121.607 121.607 120.326 1.281 11451 6245 1 9 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.311 -0.016 11451 6246 1 9 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.624 0.205 11451 6247 1 9 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.214 -1.188 11451 6248 1 9 . 1 1 29 29 ASP H H 29 8.374 8.374 8.564 -0.190 11451 6249 1 9 . 1 1 30 30 TYR N N 30 118.959 118.959 119.584 -0.625 11451 6250 1 9 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.235 -0.230 11451 6251 1 9 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.688 0.059 11451 6252 1 9 . 1 1 30 30 TYR CB C 30 37.739 37.739 37.993 -0.254 11451 6253 1 9 . 1 1 30 30 TYR H H 30 7.287 7.287 7.474 -0.187 11451 6254 1 9 . 1 1 31 31 CYS N N 31 116.202 116.202 118.810 -2.608 11451 6255 1 9 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.225 -0.191 11451 6256 1 9 . 1 1 31 31 CYS CA C 31 64.403 64.403 64.288 0.115 11451 6257 1 9 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.350 -0.129 11451 6258 1 9 . 1 1 31 31 CYS H H 31 8.336 8.336 8.251 0.085 11451 6259 1 9 . 1 1 32 32 ARG N N 32 121.949 121.949 120.330 1.619 11451 6260 1 9 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.056 -0.194 11451 6261 1 9 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.892 0.827 11451 6262 1 9 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.253 0.121 11451 6263 1 9 . 1 1 32 32 ARG H H 32 9.077 9.077 8.422 0.655 11451 6264 1 9 . 1 1 33 33 GLU N N 33 116.667 116.667 116.557 0.110 11451 6265 1 9 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.304 -0.117 11451 6266 1 9 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.504 -0.056 11451 6267 1 9 . 1 1 33 33 GLU CB C 33 29.258 29.258 30.020 -0.762 11451 6268 1 9 . 1 1 33 33 GLU H H 33 7.920 7.920 7.650 0.270 11451 6269 1 9 . 1 1 34 34 GLY N N 34 107.273 107.273 106.964 0.309 11451 6270 1 9 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.265 0.133 11451 6271 1 9 . 1 1 34 34 GLY H H 34 7.533 7.533 7.952 -0.419 11451 6272 1 9 . 1 1 35 35 PHE N N 35 122.134 122.134 122.036 0.098 11451 6273 1 9 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.073 -0.408 11451 6274 1 9 . 1 1 35 35 PHE CA C 35 61.605 61.605 61.632 -0.027 11451 6275 1 9 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.477 0.593 11451 6276 1 9 . 1 1 35 35 PHE H H 35 8.129 8.129 8.386 -0.257 11451 6277 1 9 . 1 1 36 36 TYR N N 36 111.250 111.250 114.276 -3.026 11451 6278 1 9 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.202 0.122 11451 6279 1 9 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.769 -1.091 11451 6280 1 9 . 1 1 36 36 TYR CB C 36 37.460 37.460 37.909 -0.449 11451 6281 1 9 . 1 1 36 36 TYR H H 36 7.355 7.355 8.398 -1.043 11451 6282 1 9 . 1 1 37 37 ASN N N 37 121.890 121.890 119.752 2.138 11451 6283 1 9 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.575 -0.750 11451 6284 1 9 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.114 0.065 11451 6285 1 9 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.105 -2.249 11451 6286 1 9 . 1 1 37 37 ASN H H 37 7.106 7.106 7.600 -0.494 11451 6287 1 9 . 1 1 38 38 ASN N N 38 121.572 121.572 118.592 2.980 11451 6288 1 9 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.401 -0.353 11451 6289 1 9 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.549 0.171 11451 6290 1 9 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.757 0.781 11451 6291 1 9 . 1 1 38 38 ASN H H 38 9.235 9.235 8.926 0.309 11451 6292 1 9 . 1 1 39 39 THR N N 39 104.540 104.540 107.971 -3.431 11451 6293 1 9 . 1 1 39 39 THR HA H 39 5.006 5.006 5.198 -0.192 11451 6294 1 9 . 1 1 39 39 THR CA C 39 59.979 59.979 61.000 -1.021 11451 6295 1 9 . 1 1 39 39 THR CB C 39 72.789 72.789 70.400 2.389 11451 6296 1 9 . 1 1 39 39 THR H H 39 7.328 7.328 7.539 -0.211 11451 6297 1 9 . 1 1 40 40 ILE N N 40 108.904 108.904 114.096 -5.192 11451 6298 1 9 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.084 0.585 11451 6299 1 9 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.548 0.252 11451 6300 1 9 . 1 1 40 40 ILE CB C 40 39.724 39.724 41.999 -2.275 11451 6301 1 9 . 1 1 40 40 ILE H H 40 7.943 7.943 8.266 -0.323 11451 6302 1 9 . 1 1 41 41 PHE N N 41 122.068 122.068 122.462 -0.394 11451 6303 1 9 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.664 0.296 11451 6304 1 9 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.404 1.413 11451 6305 1 9 . 1 1 41 41 PHE CB C 41 37.410 37.410 37.570 -0.160 11451 6306 1 9 . 1 1 41 41 PHE H H 41 8.289 8.289 8.479 -0.190 11451 6307 1 9 . 1 1 42 42 HIS N N 42 121.477 121.477 118.979 2.498 11451 6308 1 9 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.378 -0.102 11451 6309 1 9 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.893 -0.295 11451 6310 1 9 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.522 1.141 11451 6311 1 9 . 1 1 42 42 HIS H H 42 7.862 7.862 7.765 0.097 11451 6312 1 9 . 1 1 43 43 ARG N N 43 123.403 123.403 117.932 5.471 11451 6313 1 9 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.609 0.007 11451 6314 1 9 . 1 1 43 43 ARG CA C 43 55.318 55.318 55.017 0.301 11451 6315 1 9 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.406 -1.131 11451 6316 1 9 . 1 1 43 43 ARG H H 43 6.933 6.933 7.117 -0.184 11451 6317 1 9 . 1 1 44 44 VAL N N 44 129.359 129.359 124.864 4.495 11451 6318 1 9 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.906 -0.766 11451 6319 1 9 . 1 1 44 44 VAL CA C 44 62.374 62.374 59.465 2.909 11451 6320 1 9 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.748 -0.557 11451 6321 1 9 . 1 1 44 44 VAL H H 44 9.023 9.023 8.268 0.755 11451 6322 1 9 . 1 1 45 45 ILE N N 45 126.532 126.532 124.246 2.286 11451 6323 1 9 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.466 -0.230 11451 6324 1 9 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.549 0.915 11451 6325 1 9 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.186 -2.236 11451 6326 1 9 . 1 1 45 45 ILE H H 45 8.243 8.243 7.867 0.376 11451 6327 1 9 . 1 1 46 46 ASN N N 46 128.015 128.015 127.337 0.678 11451 6328 1 9 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.555 -0.394 11451 6329 1 9 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.179 0.162 11451 6330 1 9 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.581 -1.907 11451 6331 1 9 . 1 1 46 46 ASN H H 46 9.127 9.127 8.747 0.380 11451 6332 1 9 . 1 1 47 47 GLY N N 47 110.314 110.314 107.390 2.924 11451 6333 1 9 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.520 0.110 11451 6334 1 9 . 1 1 47 47 GLY H H 47 7.542 7.542 8.859 -1.317 11451 6335 1 9 . 1 1 48 48 PHE N N 48 116.701 116.701 118.008 -1.307 11451 6336 1 9 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.863 0.279 11451 6337 1 9 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.054 1.446 11451 6338 1 9 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.470 -3.142 11451 6339 1 9 . 1 1 48 48 PHE H H 48 7.800 7.800 7.742 0.058 11451 6340 1 9 . 1 1 49 49 MET N N 49 117.710 117.710 117.971 -0.261 11451 6341 1 9 . 1 1 49 49 MET HA H 49 5.027 5.027 4.512 0.515 11451 6342 1 9 . 1 1 49 49 MET CA C 49 55.009 55.009 53.413 1.596 11451 6343 1 9 . 1 1 49 49 MET CB C 49 35.120 35.120 33.115 2.005 11451 6344 1 9 . 1 1 49 49 MET H H 49 8.363 8.363 6.922 1.441 11451 6345 1 9 . 1 1 50 50 ILE N N 50 110.774 110.774 113.292 -2.518 11451 6346 1 9 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.988 -0.121 11451 6347 1 9 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.301 0.434 11451 6348 1 9 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.516 -0.255 11451 6349 1 9 . 1 1 50 50 ILE H H 50 7.749 7.749 7.705 0.044 11451 6350 1 9 . 1 1 51 51 GLN N N 51 127.997 127.997 125.183 2.814 11451 6351 1 9 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.968 0.233 11451 6352 1 9 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.732 0.320 11451 6353 1 9 . 1 1 51 51 GLN CB C 51 31.684 31.684 33.031 -1.347 11451 6354 1 9 . 1 1 51 51 GLN H H 51 9.198 9.198 8.700 0.498 11451 6355 1 9 . 1 1 52 52 GLY N N 52 111.413 111.413 107.860 3.553 11451 6356 1 9 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.041 1.252 11451 6357 1 9 . 1 1 52 52 GLY H H 52 8.037 8.037 8.367 -0.330 11451 6358 1 9 . 1 1 53 53 GLY N N 53 106.177 106.177 107.527 -1.350 11451 6359 1 9 . 1 1 53 53 GLY CA C 53 46.077 46.077 45.827 0.250 11451 6360 1 9 . 1 1 53 53 GLY H H 53 8.334 8.334 8.159 0.175 11451 6361 1 9 . 1 1 54 54 GLY N N 54 129.939 129.939 106.659 23.280 11451 6362 1 9 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.679 -0.267 11451 6363 1 9 . 1 1 54 54 GLY H H 54 9.068 9.068 7.840 1.228 11451 6364 1 9 . 1 1 55 55 PHE N N 55 121.195 121.195 116.641 4.554 11451 6365 1 9 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.216 -0.329 11451 6366 1 9 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.032 0.666 11451 6367 1 9 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.714 -0.868 11451 6368 1 9 . 1 1 55 55 PHE H H 55 9.329 9.329 7.394 1.935 11451 6369 1 9 . 1 1 56 56 GLU N N 56 120.126 120.126 119.690 0.436 11451 6370 1 9 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.179 -0.331 11451 6371 1 9 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.199 1.000 11451 6372 1 9 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.474 -1.022 11451 6373 1 9 . 1 1 56 56 GLU H H 56 8.531 8.531 8.386 0.145 11451 6374 1 9 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.353 -0.363 11451 6375 1 9 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.494 0.369 11451 6376 1 9 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.630 -0.762 11451 6377 1 9 . 1 1 58 58 GLY N N 58 113.477 113.477 105.718 7.759 11451 6378 1 9 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.168 0.198 11451 6379 1 9 . 1 1 58 58 GLY H H 58 9.454 9.454 8.067 1.387 11451 6380 1 9 . 1 1 59 59 MET N N 59 114.007 114.007 116.492 -2.485 11451 6381 1 9 . 1 1 59 59 MET HA H 59 3.946 3.946 3.975 -0.029 11451 6382 1 9 . 1 1 59 59 MET CA C 59 54.650 54.650 55.761 -1.111 11451 6383 1 9 . 1 1 59 59 MET CB C 59 25.875 25.875 29.142 -3.267 11451 6384 1 9 . 1 1 59 59 MET H H 59 8.027 8.027 7.836 0.191 11451 6385 1 9 . 1 1 60 60 LYS N N 60 120.420 120.420 120.773 -0.353 11451 6386 1 9 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.525 -0.059 11451 6387 1 9 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.723 -0.765 11451 6388 1 9 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.007 -0.697 11451 6389 1 9 . 1 1 60 60 LYS H H 60 6.996 6.996 7.654 -0.658 11451 6390 1 9 . 1 1 61 61 GLN N N 61 130.250 130.250 125.946 4.304 11451 6391 1 9 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.091 -0.705 11451 6392 1 9 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.533 0.246 11451 6393 1 9 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.422 -0.980 11451 6394 1 9 . 1 1 61 61 GLN H H 61 8.965 8.965 8.791 0.174 11451 6395 1 9 . 1 1 62 62 LYS N N 62 126.196 126.196 126.555 -0.359 11451 6396 1 9 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.213 -0.083 11451 6397 1 9 . 1 1 62 62 LYS CA C 62 56.690 56.690 56.315 0.375 11451 6398 1 9 . 1 1 62 62 LYS CB C 62 32.772 32.772 33.121 -0.349 11451 6399 1 9 . 1 1 62 62 LYS H H 62 7.323 7.323 7.461 -0.138 11451 6400 1 9 . 1 1 63 63 ALA N N 63 127.588 127.588 124.150 3.438 11451 6401 1 9 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.518 -0.234 11451 6402 1 9 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.627 1.018 11451 6403 1 9 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.533 0.840 11451 6404 1 9 . 1 1 63 63 ALA H H 63 8.458 8.458 8.704 -0.246 11451 6405 1 9 . 1 1 64 64 THR N N 64 111.370 111.370 113.914 -2.544 11451 6406 1 9 . 1 1 64 64 THR HA H 64 4.550 4.550 3.955 0.595 11451 6407 1 9 . 1 1 64 64 THR CA C 64 60.554 60.554 62.538 -1.984 11451 6408 1 9 . 1 1 64 64 THR CB C 64 71.700 71.700 68.924 2.776 11451 6409 1 9 . 1 1 64 64 THR H H 64 8.122 8.122 7.648 0.474 11451 6410 1 9 . 1 1 65 65 LYS N N 65 118.451 118.451 126.615 -8.164 11451 6411 1 9 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.550 -0.131 11451 6412 1 9 . 1 1 65 65 LYS CA C 65 55.346 55.346 54.955 0.391 11451 6413 1 9 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.428 -2.946 11451 6414 1 9 . 1 1 65 65 LYS H H 65 7.879 7.879 8.461 -0.582 11451 6415 1 9 . 1 1 66 66 GLU N N 66 118.805 118.805 119.306 -0.501 11451 6416 1 9 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.091 0.066 11451 6417 1 9 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.127 -0.245 11451 6418 1 9 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.142 0.208 11451 6419 1 9 . 1 1 66 66 GLU H H 66 7.872 7.872 8.629 -0.757 11451 6420 1 9 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.360 0.494 11451 6421 1 9 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.455 -1.300 11451 6422 1 9 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.203 0.487 11451 6423 1 9 . 1 1 68 68 ILE N N 68 112.686 112.686 122.182 -9.496 11451 6424 1 9 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.463 -0.026 11451 6425 1 9 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.831 -0.860 11451 6426 1 9 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.530 0.995 11451 6427 1 9 . 1 1 68 68 ILE H H 68 8.235 8.235 8.370 -0.135 11451 6428 1 9 . 1 1 69 69 LYS N N 69 121.199 121.199 121.919 -0.720 11451 6429 1 9 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.652 -0.711 11451 6430 1 9 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.074 -0.014 11451 6431 1 9 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.915 -0.775 11451 6432 1 9 . 1 1 69 69 LYS H H 69 7.849 7.849 8.280 -0.431 11451 6433 1 9 . 1 1 70 70 ASN N N 70 126.585 126.585 121.513 5.072 11451 6434 1 9 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.744 -0.522 11451 6435 1 9 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.447 -0.119 11451 6436 1 9 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.727 -1.590 11451 6437 1 9 . 1 1 70 70 ASN H H 70 10.816 10.816 8.992 1.824 11451 6438 1 9 . 1 1 71 71 GLU N N 71 126.223 126.223 127.119 -0.896 11451 6439 1 9 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.360 0.293 11451 6440 1 9 . 1 1 71 71 GLU CA C 71 55.597 55.597 58.201 -2.604 11451 6441 1 9 . 1 1 71 71 GLU CB C 71 29.780 29.780 30.034 -0.254 11451 6442 1 9 . 1 1 71 71 GLU H H 71 8.202 8.202 8.996 -0.794 11451 6443 1 9 . 1 1 72 72 ALA N N 72 120.736 120.736 119.139 1.597 11451 6444 1 9 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.050 0.182 11451 6445 1 9 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.164 0.956 11451 6446 1 9 . 1 1 72 72 ALA CB C 72 18.506 18.506 17.671 0.835 11451 6447 1 9 . 1 1 72 72 ALA H H 72 9.149 9.149 8.224 0.925 11451 6448 1 9 . 1 1 73 73 ASN N N 73 114.744 114.744 120.222 -5.478 11451 6449 1 9 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.943 0.238 11451 6450 1 9 . 1 1 73 73 ASN CA C 73 52.331 52.331 52.389 -0.058 11451 6451 1 9 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.304 -1.628 11451 6452 1 9 . 1 1 73 73 ASN H H 73 7.892 7.892 8.228 -0.336 11451 6453 1 9 . 1 1 74 74 ASN N N 74 119.796 119.796 117.420 2.376 11451 6454 1 9 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.680 -0.301 11451 6455 1 9 . 1 1 74 74 ASN CA C 74 52.767 52.767 52.209 0.558 11451 6456 1 9 . 1 1 74 74 ASN CB C 74 38.415 38.415 39.085 -0.670 11451 6457 1 9 . 1 1 74 74 ASN H H 74 8.408 8.408 7.574 0.834 11451 6458 1 9 . 1 1 75 75 GLY N N 75 108.891 108.891 108.464 0.427 11451 6459 1 9 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.415 0.212 11451 6460 1 9 . 1 1 75 75 GLY H H 75 7.971 7.971 7.558 0.413 11451 6461 1 9 . 1 1 76 76 LEU N N 76 120.602 120.602 120.950 -0.348 11451 6462 1 9 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.278 0.033 11451 6463 1 9 . 1 1 76 76 LEU CA C 76 54.599 54.599 55.074 -0.475 11451 6464 1 9 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.417 -1.329 11451 6465 1 9 . 1 1 76 76 LEU H H 76 7.734 7.734 7.970 -0.236 11451 6466 1 9 . 1 1 77 77 LYS N N 77 121.982 121.982 118.401 3.581 11451 6467 1 9 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.772 -0.322 11451 6468 1 9 . 1 1 77 77 LYS CA C 77 55.001 55.001 55.067 -0.066 11451 6469 1 9 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.700 -1.000 11451 6470 1 9 . 1 1 77 77 LYS H H 77 8.161 8.161 8.235 -0.074 11451 6471 1 9 . 1 1 78 78 ASN N N 78 124.764 124.764 123.682 1.082 11451 6472 1 9 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.107 -0.440 11451 6473 1 9 . 1 1 78 78 ASN CA C 78 54.314 54.314 52.802 1.512 11451 6474 1 9 . 1 1 78 78 ASN CB C 78 37.130 37.130 38.282 -1.153 11451 6475 1 9 . 1 1 78 78 ASN H H 78 9.564 9.564 9.402 0.162 11451 6476 1 9 . 1 1 79 79 THR N N 79 114.955 114.955 112.723 2.232 11451 6477 1 9 . 1 1 79 79 THR HA H 79 4.263 4.263 4.721 -0.458 11451 6478 1 9 . 1 1 79 79 THR CA C 79 60.774 60.774 60.237 0.536 11451 6479 1 9 . 1 1 79 79 THR CB C 79 70.347 70.347 70.738 -0.391 11451 6480 1 9 . 1 1 79 79 THR H H 79 8.190 8.190 7.892 0.298 11451 6481 1 9 . 1 1 80 80 ARG N N 80 124.080 124.080 122.043 2.037 11451 6482 1 9 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.032 -0.829 11451 6483 1 9 . 1 1 80 80 ARG CA C 80 58.487 58.487 56.891 1.596 11451 6484 1 9 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.441 -0.532 11451 6485 1 9 . 1 1 80 80 ARG H H 80 9.203 9.203 9.177 0.026 11451 6486 1 9 . 1 1 81 81 GLY N N 81 115.741 115.741 113.617 2.124 11451 6487 1 9 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.424 -0.353 11451 6488 1 9 . 1 1 81 81 GLY H H 81 8.976 8.976 9.260 -0.284 11451 6489 1 9 . 1 1 82 82 THR N N 82 110.362 110.362 111.625 -1.263 11451 6490 1 9 . 1 1 82 82 THR HA H 82 4.623 4.623 4.583 0.040 11451 6491 1 9 . 1 1 82 82 THR CA C 82 61.694 61.694 59.796 1.898 11451 6492 1 9 . 1 1 82 82 THR CB C 82 72.230 72.230 71.334 0.896 11451 6493 1 9 . 1 1 82 82 THR H H 82 8.070 8.070 7.634 0.436 11451 6494 1 9 . 1 1 83 83 LEU N N 83 121.341 121.341 123.147 -1.806 11451 6495 1 9 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.303 -0.084 11451 6496 1 9 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.823 0.527 11451 6497 1 9 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.623 -2.104 11451 6498 1 9 . 1 1 83 83 LEU H H 83 7.918 7.918 8.239 -0.321 11451 6499 1 9 . 1 1 84 84 ALA N N 84 121.663 121.663 123.763 -2.100 11451 6500 1 9 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.259 0.258 11451 6501 1 9 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.626 -0.557 11451 6502 1 9 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.827 1.158 11451 6503 1 9 . 1 1 84 84 ALA H H 84 8.053 8.053 8.045 0.008 11451 6504 1 9 . 1 1 85 85 MET N N 85 115.338 115.338 117.210 -1.872 11451 6505 1 9 . 1 1 85 85 MET HA H 85 5.241 5.241 5.081 0.160 11451 6506 1 9 . 1 1 85 85 MET CA C 85 52.707 52.707 54.231 -1.524 11451 6507 1 9 . 1 1 85 85 MET CB C 85 29.801 29.801 33.276 -3.474 11451 6508 1 9 . 1 1 85 85 MET H H 85 7.539 7.539 8.005 -0.466 11451 6509 1 9 . 1 1 86 86 ALA N N 86 126.558 126.558 126.261 0.297 11451 6510 1 9 . 1 1 86 86 ALA HA H 86 4.683 4.683 5.133 -0.450 11451 6511 1 9 . 1 1 86 86 ALA CA C 86 51.207 51.207 50.658 0.549 11451 6512 1 9 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.968 -1.552 11451 6513 1 9 . 1 1 86 86 ALA H H 86 8.287 8.287 8.850 -0.563 11451 6514 1 9 . 1 1 87 87 ARG N N 87 113.623 113.623 122.009 -8.386 11451 6515 1 9 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.417 0.217 11451 6516 1 9 . 1 1 87 87 ARG CA C 87 55.768 55.768 56.537 -0.769 11451 6517 1 9 . 1 1 87 87 ARG CB C 87 29.722 29.722 30.607 -0.885 11451 6518 1 9 . 1 1 87 87 ARG H H 87 8.031 8.031 8.921 -0.890 11451 6519 1 9 . 1 1 88 88 THR N N 88 111.627 111.627 115.957 -4.330 11451 6520 1 9 . 1 1 88 88 THR HA H 88 4.624 4.624 4.405 0.219 11451 6521 1 9 . 1 1 88 88 THR CA C 88 60.554 60.554 64.888 -4.334 11451 6522 1 9 . 1 1 88 88 THR CB C 88 68.430 68.430 69.725 -1.294 11451 6523 1 9 . 1 1 88 88 THR H H 88 7.892 7.892 8.380 -0.487 11451 6524 1 9 . 1 1 89 89 GLN N N 89 117.361 117.361 118.006 -0.645 11451 6525 1 9 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.531 -0.680 11451 6526 1 9 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.739 2.172 11451 6527 1 9 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.443 -2.073 11451 6528 1 9 . 1 1 89 89 GLN H H 89 8.188 8.188 8.236 -0.048 11451 6529 1 9 . 1 1 90 90 ALA N N 90 122.998 122.998 124.252 -1.254 11451 6530 1 9 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.652 -0.307 11451 6531 1 9 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.554 -0.828 11451 6532 1 9 . 1 1 90 90 ALA CB C 90 17.174 17.174 18.012 -0.838 11451 6533 1 9 . 1 1 90 90 ALA H H 90 7.962 7.962 8.193 -0.231 11451 6534 1 9 . 1 1 91 91 PRO HA H 91 3.468 3.468 4.006 -0.538 11451 6535 1 9 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.299 1.138 11451 6536 1 9 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.587 -1.618 11451 6537 1 9 . 1 1 92 92 HIS N N 92 118.470 118.470 114.354 4.116 11451 6538 1 9 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.914 -0.090 11451 6539 1 9 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.018 -0.817 11451 6540 1 9 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.250 -0.941 11451 6541 1 9 . 1 1 92 92 HIS H H 92 7.977 7.977 8.080 -0.103 11451 6542 1 9 . 1 1 93 93 SER N N 93 108.425 108.425 114.984 -6.559 11451 6543 1 9 . 1 1 93 93 SER HA H 93 4.380 4.380 4.619 -0.239 11451 6544 1 9 . 1 1 93 93 SER CA C 93 57.696 57.696 57.965 -0.269 11451 6545 1 9 . 1 1 93 93 SER CB C 93 65.924 65.924 63.862 2.062 11451 6546 1 9 . 1 1 93 93 SER H H 93 6.374 6.374 7.765 -1.391 11451 6547 1 9 . 1 1 94 94 ALA N N 94 130.109 130.109 125.806 4.303 11451 6548 1 9 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.050 -0.774 11451 6549 1 9 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.418 2.755 11451 6550 1 9 . 1 1 94 94 ALA CB C 94 20.366 20.366 19.186 1.180 11451 6551 1 9 . 1 1 94 94 ALA H H 94 8.543 8.543 7.445 1.098 11451 6552 1 9 . 1 1 95 95 THR N N 95 110.794 110.794 117.951 -7.157 11451 6553 1 9 . 1 1 95 95 THR HA H 95 4.722 4.722 4.355 0.367 11451 6554 1 9 . 1 1 95 95 THR CA C 95 59.725 59.725 63.813 -4.088 11451 6555 1 9 . 1 1 95 95 THR CB C 95 70.157 70.157 69.298 0.859 11451 6556 1 9 . 1 1 95 95 THR H H 95 8.925 8.925 8.070 0.855 11451 6557 1 9 . 1 1 96 96 ALA N N 96 121.615 121.615 121.237 0.378 11451 6558 1 9 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.662 -0.235 11451 6559 1 9 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.342 0.194 11451 6560 1 9 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.617 3.599 11451 6561 1 9 . 1 1 96 96 ALA H H 96 7.954 7.954 8.268 -0.314 11451 6562 1 9 . 1 1 97 97 GLN N N 97 115.548 115.548 120.232 -4.684 11451 6563 1 9 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.685 -0.056 11451 6564 1 9 . 1 1 97 97 GLN CA C 97 57.388 57.388 56.203 1.185 11451 6565 1 9 . 1 1 97 97 GLN CB C 97 30.757 30.757 29.977 0.780 11451 6566 1 9 . 1 1 97 97 GLN H H 97 7.866 7.866 8.195 -0.329 11451 6567 1 9 . 1 1 98 98 PHE N N 98 117.593 117.593 119.403 -1.810 11451 6568 1 9 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.587 0.201 11451 6569 1 9 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.675 -1.020 11451 6570 1 9 . 1 1 98 98 PHE CB C 98 43.225 43.225 42.990 0.235 11451 6571 1 9 . 1 1 98 98 PHE H H 98 7.623 7.623 8.090 -0.467 11451 6572 1 9 . 1 1 99 99 PHE N N 99 116.226 116.226 114.604 1.622 11451 6573 1 9 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.276 0.456 11451 6574 1 9 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.649 -0.600 11451 6575 1 9 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.217 1.803 11451 6576 1 9 . 1 1 99 99 PHE H H 99 9.518 9.518 8.846 0.672 11451 6577 1 9 . 1 1 100 100 ILE N N 100 117.687 117.687 120.204 -2.517 11451 6578 1 9 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.823 0.004 11451 6579 1 9 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.087 -0.738 11451 6580 1 9 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.960 -0.291 11451 6581 1 9 . 1 1 100 100 ILE H H 100 9.136 9.136 9.050 0.086 11451 6582 1 9 . 1 1 101 101 ASN N N 101 126.524 126.524 127.618 -1.094 11451 6583 1 9 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.767 -0.308 11451 6584 1 9 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.209 2.524 11451 6585 1 9 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.305 1.621 11451 6586 1 9 . 1 1 101 101 ASN H H 101 8.877 8.877 9.181 -0.304 11451 6587 1 9 . 1 1 102 102 VAL N N 102 117.660 117.660 119.540 -1.880 11451 6588 1 9 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.967 0.444 11451 6589 1 9 . 1 1 102 102 VAL CA C 102 61.907 61.907 64.037 -2.130 11451 6590 1 9 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.368 -1.998 11451 6591 1 9 . 1 1 102 102 VAL H H 102 7.700 7.700 7.724 -0.024 11451 6592 1 9 . 1 1 103 103 VAL N N 103 116.637 116.637 112.739 3.898 11451 6593 1 9 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.341 0.012 11451 6594 1 9 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.619 1.040 11451 6595 1 9 . 1 1 103 103 VAL CB C 103 35.510 35.510 35.117 0.393 11451 6596 1 9 . 1 1 103 103 VAL H H 103 7.753 7.753 7.037 0.716 11451 6597 1 9 . 1 1 104 104 ASP N N 104 118.510 118.510 121.015 -2.505 11451 6598 1 9 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.559 -0.304 11451 6599 1 9 . 1 1 104 104 ASP CA C 104 55.500 55.500 54.983 0.517 11451 6600 1 9 . 1 1 104 104 ASP CB C 104 39.088 39.088 40.881 -1.793 11451 6601 1 9 . 1 1 104 104 ASP H H 104 8.171 8.171 8.431 -0.260 11451 6602 1 9 . 1 1 105 105 ASN N N 105 128.132 128.132 123.740 4.392 11451 6603 1 9 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.777 0.302 11451 6604 1 9 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.258 -0.729 11451 6605 1 9 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.072 0.063 11451 6606 1 9 . 1 1 105 105 ASN H H 105 8.352 8.352 8.847 -0.495 11451 6607 1 9 . 1 1 106 106 ASP N N 106 121.636 121.636 119.925 1.711 11451 6608 1 9 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.563 -0.292 11451 6609 1 9 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.699 0.088 11451 6610 1 9 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.659 -0.854 11451 6611 1 9 . 1 1 106 106 ASP H H 106 8.203 8.203 8.463 -0.260 11451 6612 1 9 . 1 1 107 107 PHE N N 107 114.525 114.525 115.611 -1.086 11451 6613 1 9 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.572 -0.074 11451 6614 1 9 . 1 1 107 107 PHE CA C 107 57.395 57.395 58.386 -0.991 11451 6615 1 9 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.191 -1.411 11451 6616 1 9 . 1 1 107 107 PHE H H 107 7.388 7.388 7.481 -0.093 11451 6617 1 9 . 1 1 108 108 LEU N N 108 121.576 121.576 118.370 3.206 11451 6618 1 9 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.527 -0.061 11451 6619 1 9 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.236 -0.758 11451 6620 1 9 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.282 0.817 11451 6621 1 9 . 1 1 108 108 LEU H H 108 7.163 7.163 7.600 -0.437 11451 6622 1 9 . 1 1 109 109 ASN N N 109 116.121 116.121 117.989 -1.868 11451 6623 1 9 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.886 0.263 11451 6624 1 9 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.422 -0.452 11451 6625 1 9 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.138 -1.019 11451 6626 1 9 . 1 1 109 109 ASN H H 109 7.312 7.312 7.522 -0.210 11451 6627 1 9 . 1 1 110 110 PHE N N 110 124.182 124.182 119.382 4.800 11451 6628 1 9 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.751 -0.499 11451 6629 1 9 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.176 -0.121 11451 6630 1 9 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.596 -0.803 11451 6631 1 9 . 1 1 110 110 PHE H H 110 8.825 8.825 8.890 -0.065 11451 6632 1 9 . 1 1 111 111 SER N N 111 122.136 122.136 120.670 1.466 11451 6633 1 9 . 1 1 111 111 SER HA H 111 4.179 4.179 4.397 -0.218 11451 6634 1 9 . 1 1 111 111 SER CA C 111 57.521 57.521 57.936 -0.415 11451 6635 1 9 . 1 1 111 111 SER CB C 111 64.617 64.617 64.526 0.091 11451 6636 1 9 . 1 1 111 111 SER H H 111 9.456 9.456 7.921 1.535 11451 6637 1 9 . 1 1 112 112 GLY N N 112 110.435 110.435 107.670 2.765 11451 6638 1 9 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.527 0.851 11451 6639 1 9 . 1 1 112 112 GLY H H 112 5.514 5.514 7.156 -1.642 11451 6640 1 9 . 1 1 113 113 GLU N N 113 118.926 118.926 116.459 2.467 11451 6641 1 9 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.626 -0.979 11451 6642 1 9 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.212 -2.242 11451 6643 1 9 . 1 1 113 113 GLU CB C 113 26.663 26.663 28.941 -2.278 11451 6644 1 9 . 1 1 113 113 GLU H H 113 7.862 7.862 8.041 -0.179 11451 6645 1 9 . 1 1 114 114 SER N N 114 119.323 119.323 113.503 5.820 11451 6646 1 9 . 1 1 114 114 SER HA H 114 4.625 4.625 4.831 -0.206 11451 6647 1 9 . 1 1 114 114 SER CA C 114 56.279 56.279 56.777 -0.498 11451 6648 1 9 . 1 1 114 114 SER H H 114 7.621 7.621 7.525 0.096 11451 6649 1 9 . 1 1 115 115 LEU N N 115 122.373 122.373 128.124 -5.751 11451 6650 1 9 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.921 0.196 11451 6651 1 9 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.328 1.633 11451 6652 1 9 . 1 1 115 115 LEU CB C 115 41.125 41.125 42.009 -0.884 11451 6653 1 9 . 1 1 115 115 LEU H H 115 8.745 8.745 9.074 -0.329 11451 6654 1 9 . 1 1 116 116 GLN N N 116 114.490 114.490 115.874 -1.384 11451 6655 1 9 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.307 -0.045 11451 6656 1 9 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.286 0.841 11451 6657 1 9 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.556 -0.359 11451 6658 1 9 . 1 1 116 116 GLN H H 116 8.292 8.292 8.457 -0.165 11451 6659 1 9 . 1 1 117 117 GLY N N 117 109.729 109.729 108.049 1.680 11451 6660 1 9 . 1 1 117 117 GLY CA C 117 45.541 45.541 45.177 0.364 11451 6661 1 9 . 1 1 117 117 GLY H H 117 7.832 7.832 8.236 -0.404 11451 6662 1 9 . 1 1 118 118 TRP N N 118 123.807 123.807 123.327 0.480 11451 6663 1 9 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.900 -0.586 11451 6664 1 9 . 1 1 118 118 TRP CA C 118 62.294 62.294 55.205 7.089 11451 6665 1 9 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.488 1.679 11451 6666 1 9 . 1 1 118 118 TRP H H 118 7.801 7.801 7.848 -0.047 11451 6667 1 9 . 1 1 119 119 GLY N N 119 124.815 124.815 111.686 13.129 11451 6668 1 9 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.094 0.225 11451 6669 1 9 . 1 1 119 119 GLY H H 119 7.438 7.438 8.391 -0.953 11451 6670 1 9 . 1 1 120 120 TYR N N 120 119.720 119.720 118.516 1.204 11451 6671 1 9 . 1 1 120 120 TYR HA H 120 5.202 5.202 4.938 0.264 11451 6672 1 9 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.275 0.044 11451 6673 1 9 . 1 1 120 120 TYR CB C 120 39.739 39.739 41.657 -1.918 11451 6674 1 9 . 1 1 120 120 TYR H H 120 8.281 8.281 8.648 -0.367 11451 6675 1 9 . 1 1 121 121 CYS N N 121 126.117 126.117 122.480 3.637 11451 6676 1 9 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.670 -0.431 11451 6677 1 9 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.406 1.291 11451 6678 1 9 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.599 -0.588 11451 6679 1 9 . 1 1 121 121 CYS H H 121 9.818 9.818 9.190 0.628 11451 6680 1 9 . 1 1 122 122 VAL N N 122 106.168 106.168 130.061 -23.893 11451 6681 1 9 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.216 0.347 11451 6682 1 9 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.757 -0.107 11451 6683 1 9 . 1 1 122 122 VAL CB C 122 31.479 31.479 29.935 1.544 11451 6684 1 9 . 1 1 122 122 VAL H H 122 9.382 9.382 8.908 0.474 11451 6685 1 9 . 1 1 123 123 PHE N N 123 118.398 118.398 125.189 -6.791 11451 6686 1 9 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.612 0.249 11451 6687 1 9 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.553 -2.615 11451 6688 1 9 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.766 1.874 11451 6689 1 9 . 1 1 123 123 PHE H H 123 7.842 7.842 8.239 -0.397 11451 6690 1 9 . 1 1 124 124 ALA N N 124 124.412 124.412 118.508 5.904 11451 6691 1 9 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.661 -0.011 11451 6692 1 9 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.592 0.167 11451 6693 1 9 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.695 1.940 11451 6694 1 9 . 1 1 124 124 ALA H H 124 7.327 7.327 6.898 0.429 11451 6695 1 9 . 1 1 125 125 GLU N N 125 115.272 115.272 117.917 -2.645 11451 6696 1 9 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.659 0.112 11451 6697 1 9 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.233 0.418 11451 6698 1 9 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.541 -0.770 11451 6699 1 9 . 1 1 125 125 GLU H H 125 8.223 8.223 8.193 0.030 11451 6700 1 9 . 1 1 126 126 VAL N N 126 123.948 123.948 121.646 2.302 11451 6701 1 9 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.904 0.005 11451 6702 1 9 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.666 -0.401 11451 6703 1 9 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.427 -0.617 11451 6704 1 9 . 1 1 126 126 VAL H H 126 8.786 8.786 8.353 0.433 11451 6705 1 9 . 1 1 127 127 VAL N N 127 123.644 123.644 126.667 -3.023 11451 6706 1 9 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.198 0.152 11451 6707 1 9 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.108 -1.614 11451 6708 1 9 . 1 1 127 127 VAL CB C 127 32.482 32.482 33.094 -0.612 11451 6709 1 9 . 1 1 127 127 VAL H H 127 9.096 9.096 8.974 0.122 11451 6710 1 9 . 1 1 128 128 ASP N N 128 121.165 121.165 119.126 2.039 11451 6711 1 9 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.809 0.113 11451 6712 1 9 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.758 0.643 11451 6713 1 9 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.372 -1.323 11451 6714 1 9 . 1 1 128 128 ASP H H 128 7.719 7.719 7.645 0.074 11451 6715 1 9 . 1 1 129 129 GLY N N 129 110.821 110.821 108.055 2.766 11451 6716 1 9 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.588 0.173 11451 6717 1 9 . 1 1 129 129 GLY H H 129 8.276 8.276 8.935 -0.659 11451 6718 1 9 . 1 1 130 130 MET N N 130 122.991 122.991 120.114 2.877 11451 6719 1 9 . 1 1 130 130 MET HA H 130 4.468 4.468 4.161 0.307 11451 6720 1 9 . 1 1 130 130 MET CA C 130 55.953 55.953 57.977 -2.024 11451 6721 1 9 . 1 1 130 130 MET CB C 130 28.771 28.771 31.468 -2.697 11451 6722 1 9 . 1 1 130 130 MET H H 130 8.945 8.945 8.454 0.491 11451 6723 1 9 . 1 1 131 131 ASP N N 131 117.183 117.183 118.565 -1.382 11451 6724 1 9 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.451 -0.206 11451 6725 1 9 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.214 -0.575 11451 6726 1 9 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.329 -1.651 11451 6727 1 9 . 1 1 131 131 ASP H H 131 8.924 8.924 8.770 0.154 11451 6728 1 9 . 1 1 132 132 VAL N N 132 124.340 124.340 119.602 4.738 11451 6729 1 9 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.742 -0.303 11451 6730 1 9 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.582 0.433 11451 6731 1 9 . 1 1 132 132 VAL CB C 132 30.781 30.781 32.032 -1.251 11451 6732 1 9 . 1 1 132 132 VAL H H 132 7.222 7.222 7.528 -0.306 11451 6733 1 9 . 1 1 133 133 VAL N N 133 121.730 121.730 121.092 0.638 11451 6734 1 9 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.405 -0.387 11451 6735 1 9 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.890 0.186 11451 6736 1 9 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.485 -0.665 11451 6737 1 9 . 1 1 133 133 VAL H H 133 7.367 7.367 8.192 -0.825 11451 6738 1 9 . 1 1 134 134 ASP N N 134 117.555 117.555 116.602 0.953 11451 6739 1 9 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.342 -0.092 11451 6740 1 9 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.403 -0.140 11451 6741 1 9 . 1 1 134 134 ASP CB C 134 39.812 39.812 40.989 -1.177 11451 6742 1 9 . 1 1 134 134 ASP H H 134 8.411 8.411 8.322 0.088 11451 6743 1 9 . 1 1 135 135 LYS N N 135 122.646 122.646 119.079 3.567 11451 6744 1 9 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.196 -0.195 11451 6745 1 9 . 1 1 135 135 LYS CA C 135 58.908 58.908 57.783 1.125 11451 6746 1 9 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.257 -0.247 11451 6747 1 9 . 1 1 135 135 LYS H H 135 7.418 7.418 7.301 0.117 11451 6748 1 9 . 1 1 136 136 ILE N N 136 121.613 121.613 119.486 2.127 11451 6749 1 9 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.463 -0.401 11451 6750 1 9 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.573 0.734 11451 6751 1 9 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.784 -0.485 11451 6752 1 9 . 1 1 136 136 ILE H H 136 8.075 8.075 8.377 -0.302 11451 6753 1 9 . 1 1 137 137 LYS N N 137 113.499 113.499 116.191 -2.692 11451 6754 1 9 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.144 -0.400 11451 6755 1 9 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.626 0.262 11451 6756 1 9 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.470 -1.115 11451 6757 1 9 . 1 1 137 137 LYS H H 137 7.976 7.976 7.411 0.565 11451 6758 1 9 . 1 1 138 138 GLY N N 138 104.829 104.829 106.403 -1.574 11451 6759 1 9 . 1 1 138 138 GLY CA C 138 44.181 44.181 44.595 -0.414 11451 6760 1 9 . 1 1 138 138 GLY H H 138 6.858 6.858 7.661 -0.803 11451 6761 1 9 . 1 1 139 139 VAL N N 139 116.189 116.189 118.311 -2.122 11451 6762 1 9 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.829 0.254 11451 6763 1 9 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.384 -2.640 11451 6764 1 9 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.265 1.585 11451 6765 1 9 . 1 1 139 139 VAL H H 139 7.220 7.220 7.645 -0.425 11451 6766 1 9 . 1 1 140 140 ALA N N 140 123.097 123.097 121.041 2.056 11451 6767 1 9 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.489 -0.207 11451 6768 1 9 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.181 0.669 11451 6769 1 9 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.099 -1.727 11451 6770 1 9 . 1 1 140 140 ALA H H 140 8.262 8.262 7.806 0.456 11451 6771 1 9 . 1 1 141 141 THR N N 141 113.326 113.326 113.630 -0.304 11451 6772 1 9 . 1 1 141 141 THR HA H 141 4.925 4.925 5.060 -0.135 11451 6773 1 9 . 1 1 141 141 THR CA C 141 59.382 59.382 59.953 -0.570 11451 6774 1 9 . 1 1 141 141 THR CB C 141 73.286 73.286 71.533 1.753 11451 6775 1 9 . 1 1 141 141 THR H H 141 8.278 8.278 8.004 0.274 11451 6776 1 9 . 1 1 142 142 GLY N N 142 107.299 107.299 109.506 -2.207 11451 6777 1 9 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.440 -0.268 11451 6778 1 9 . 1 1 142 142 GLY H H 142 8.484 8.484 8.530 -0.046 11451 6779 1 9 . 1 1 143 143 ARG N N 143 120.230 120.230 121.316 -1.086 11451 6780 1 9 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.237 0.560 11451 6781 1 9 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.389 -1.189 11451 6782 1 9 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.850 0.501 11451 6783 1 9 . 1 1 143 143 ARG H H 143 8.185 8.185 8.362 -0.177 11451 6784 1 9 . 1 1 144 144 SER N N 144 119.429 119.429 119.186 0.243 11451 6785 1 9 . 1 1 144 144 SER HA H 144 4.466 4.466 4.624 -0.158 11451 6786 1 9 . 1 1 144 144 SER CA C 144 56.856 56.856 57.098 -0.242 11451 6787 1 9 . 1 1 144 144 SER CB C 144 63.174 63.174 64.655 -1.481 11451 6788 1 9 . 1 1 144 144 SER H H 144 8.427 8.427 8.804 -0.377 11451 6789 1 9 . 1 1 145 145 GLY N N 145 117.736 117.736 108.055 9.681 11451 6790 1 9 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.473 0.213 11451 6791 1 9 . 1 1 145 145 GLY H H 145 8.902 8.902 8.948 -0.046 11451 6792 1 9 . 1 1 146 146 MET N N 146 125.723 125.723 116.798 8.925 11451 6793 1 9 . 1 1 146 146 MET HA H 146 4.315 4.315 4.440 -0.125 11451 6794 1 9 . 1 1 146 146 MET CA C 146 55.431 55.431 55.785 -0.354 11451 6795 1 9 . 1 1 146 146 MET H H 146 8.827 8.827 7.456 1.371 11451 6796 1 9 . 1 1 147 147 HIS N N 147 121.581 121.581 117.258 4.323 11451 6797 1 9 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.849 -0.425 11451 6798 1 9 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.413 0.663 11451 6799 1 9 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.541 -0.948 11451 6800 1 9 . 1 1 147 147 HIS H H 147 8.010 8.010 8.128 -0.118 11451 6801 1 9 . 1 1 148 148 GLN N N 148 121.305 121.305 124.664 -3.359 11451 6802 1 9 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.448 0.022 11451 6803 1 9 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.536 -1.072 11451 6804 1 9 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.151 1.540 11451 6805 1 9 . 1 1 148 148 GLN H H 148 8.681 8.681 8.658 0.023 11451 6806 1 9 . 1 1 149 149 ASP N N 149 117.085 117.085 118.971 -1.886 11451 6807 1 9 . 1 1 149 149 ASP CB C 149 39.479 39.479 40.423 -0.944 11451 6808 1 9 . 1 1 149 149 ASP H H 149 8.635 8.635 8.771 -0.136 11451 6809 1 9 . 1 1 150 150 VAL N N 150 120.313 120.313 112.449 7.864 11451 6810 1 9 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.673 -0.294 11451 6811 1 9 . 1 1 150 150 VAL CA C 150 59.168 59.168 57.961 1.207 11451 6812 1 9 . 1 1 150 150 VAL CB C 150 33.080 33.080 33.933 -0.853 11451 6813 1 9 . 1 1 150 150 VAL H H 150 8.470 8.470 7.516 0.954 11451 6814 1 9 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.698 -0.284 11451 6815 1 9 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.710 1.226 11451 6816 1 9 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.127 0.049 11451 6817 1 9 . 1 1 152 152 LYS N N 152 125.675 125.675 122.477 3.198 11451 6818 1 9 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.239 -0.368 11451 6819 1 9 . 1 1 152 152 LYS CA C 152 58.601 58.601 56.846 1.755 11451 6820 1 9 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.973 -1.188 11451 6821 1 9 . 1 1 152 152 LYS H H 152 8.169 8.169 8.215 -0.046 11451 6822 1 9 . 1 1 153 153 GLU N N 153 119.081 119.081 121.224 -2.143 11451 6823 1 9 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.336 0.059 11451 6824 1 9 . 1 1 153 153 GLU CA C 153 54.216 54.216 56.815 -2.599 11451 6825 1 9 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.454 0.284 11451 6826 1 9 . 1 1 153 153 GLU H H 153 7.960 7.960 7.755 0.205 11451 6827 1 9 . 1 1 154 154 ASP N N 154 121.884 121.884 121.968 -0.084 11451 6828 1 9 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.631 -0.399 11451 6829 1 9 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.858 2.243 11451 6830 1 9 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.188 -0.648 11451 6831 1 9 . 1 1 154 154 ASP H H 154 8.149 8.149 8.580 -0.431 11451 6832 1 9 . 1 1 155 155 VAL N N 155 129.777 129.777 126.187 3.590 11451 6833 1 9 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.806 -0.367 11451 6834 1 9 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.947 0.364 11451 6835 1 9 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.610 -1.141 11451 6836 1 9 . 1 1 155 155 VAL H H 155 10.043 10.043 8.675 1.368 11451 6837 1 9 . 1 1 156 156 ILE N N 156 125.807 125.807 123.760 2.047 11451 6838 1 9 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.298 -0.886 11451 6839 1 9 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.582 2.103 11451 6840 1 9 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.659 0.255 11451 6841 1 9 . 1 1 156 156 ILE H H 156 8.252 8.252 9.530 -1.278 11451 6842 1 9 . 1 1 157 157 ILE N N 157 126.581 126.581 126.289 0.292 11451 6843 1 9 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.240 -0.561 11451 6844 1 9 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.900 0.605 11451 6845 1 9 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.638 -0.266 11451 6846 1 9 . 1 1 157 157 ILE H H 157 9.168 9.168 9.078 0.090 11451 6847 1 9 . 1 1 158 158 GLU N N 158 130.185 130.185 128.877 1.308 11451 6848 1 9 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.249 -0.209 11451 6849 1 9 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.815 0.091 11451 6850 1 9 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.656 -0.658 11451 6851 1 9 . 1 1 158 158 GLU H H 158 8.910 8.910 8.814 0.096 11451 6852 1 9 . 1 1 159 159 SER N N 159 108.037 108.037 111.639 -3.602 11451 6853 1 9 . 1 1 159 159 SER HA H 159 4.399 4.399 4.707 -0.308 11451 6854 1 9 . 1 1 159 159 SER CA C 159 57.505 57.505 57.093 0.412 11451 6855 1 9 . 1 1 159 159 SER CB C 159 64.403 64.403 64.529 -0.126 11451 6856 1 9 . 1 1 159 159 SER H H 159 7.772 7.772 8.090 -0.318 11451 6857 1 9 . 1 1 160 160 VAL N N 160 119.790 119.790 120.942 -1.152 11451 6858 1 9 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.422 -0.247 11451 6859 1 9 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.313 -0.748 11451 6860 1 9 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.784 -0.769 11451 6861 1 9 . 1 1 160 160 VAL H H 160 7.681 7.681 8.532 -0.851 11451 6862 1 9 . 1 1 161 161 THR N N 161 122.628 122.628 122.530 0.098 11451 6863 1 9 . 1 1 161 161 THR HA H 161 4.662 4.662 4.732 -0.070 11451 6864 1 9 . 1 1 161 161 THR CA C 161 61.452 61.452 61.344 0.108 11451 6865 1 9 . 1 1 161 161 THR CB C 161 70.781 70.781 71.553 -0.772 11451 6866 1 9 . 1 1 161 161 THR H H 161 8.817 8.817 9.343 -0.526 11451 6867 1 9 . 1 1 162 162 VAL N N 162 129.304 129.304 128.282 1.022 11451 6868 1 9 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.416 0.071 11451 6869 1 9 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.668 -0.911 11451 6870 1 9 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.034 0.448 11451 6871 1 9 . 1 1 162 162 VAL H H 162 9.075 9.075 8.692 0.383 11451 6872 1 9 . 1 1 163 163 SER N N 163 123.979 123.979 123.306 0.673 11451 6873 1 9 . 1 1 163 163 SER HA H 163 4.601 4.601 4.753 -0.152 11451 6874 1 9 . 1 1 163 163 SER CA C 163 57.521 57.521 57.114 0.408 11451 6875 1 9 . 1 1 163 163 SER CB C 163 64.409 64.409 65.099 -0.690 11451 6876 1 9 . 1 1 163 163 SER H H 163 8.727 8.727 8.681 0.046 11451 6877 1 10 . 1 1 2 2 VAL N N 2 123.776 123.776 120.787 2.989 11451 6878 1 10 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.752 0.023 11451 6879 1 10 . 1 1 2 2 VAL CA C 2 61.024 61.024 61.110 -0.086 11451 6880 1 10 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.038 1.093 11451 6881 1 10 . 1 1 2 2 VAL H H 2 8.961 8.961 8.870 0.091 11451 6882 1 10 . 1 1 3 3 THR N N 3 121.749 121.749 124.686 -2.937 11451 6883 1 10 . 1 1 3 3 THR HA H 3 5.053 5.053 4.864 0.189 11451 6884 1 10 . 1 1 3 3 THR CA C 3 61.176 61.176 62.078 -0.902 11451 6885 1 10 . 1 1 3 3 THR CB C 3 70.356 70.356 69.451 0.905 11451 6886 1 10 . 1 1 3 3 THR H H 3 8.912 8.912 9.130 -0.218 11451 6887 1 10 . 1 1 4 4 PHE N N 4 125.726 125.726 126.946 -1.220 11451 6888 1 10 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.985 -0.190 11451 6889 1 10 . 1 1 4 4 PHE CA C 4 54.011 54.011 54.992 -0.981 11451 6890 1 10 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.838 -1.117 11451 6891 1 10 . 1 1 4 4 PHE H H 4 9.442 9.442 9.094 0.348 11451 6892 1 10 . 1 1 5 5 HIS N N 5 125.337 125.337 124.258 1.079 11451 6893 1 10 . 1 1 5 5 HIS HA H 5 5.349 5.349 4.939 0.410 11451 6894 1 10 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.674 -1.366 11451 6895 1 10 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.192 -3.675 11451 6896 1 10 . 1 1 5 5 HIS H H 5 8.897 8.897 9.189 -0.292 11451 6897 1 10 . 1 1 6 6 THR N N 6 115.752 115.752 115.611 0.141 11451 6898 1 10 . 1 1 6 6 THR HA H 6 6.126 6.126 4.982 1.144 11451 6899 1 10 . 1 1 6 6 THR CA C 6 60.220 60.220 58.480 1.740 11451 6900 1 10 . 1 1 6 6 THR CB C 6 72.515 72.515 71.211 1.304 11451 6901 1 10 . 1 1 6 6 THR H H 6 7.881 7.881 8.186 -0.305 11451 6902 1 10 . 1 1 7 7 ASN N N 7 119.451 119.451 119.383 0.068 11451 6903 1 10 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.537 0.038 11451 6904 1 10 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.663 -0.170 11451 6905 1 10 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.440 -3.106 11451 6906 1 10 . 1 1 7 7 ASN H H 7 9.334 9.334 8.732 0.602 11451 6907 1 10 . 1 1 8 8 HIS N N 8 118.490 118.490 113.410 5.080 11451 6908 1 10 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.812 -0.321 11451 6909 1 10 . 1 1 8 8 HIS CA C 8 56.790 56.790 55.777 1.013 11451 6910 1 10 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.645 0.989 11451 6911 1 10 . 1 1 8 8 HIS H H 8 8.663 8.663 7.202 1.461 11451 6912 1 10 . 1 1 9 9 GLY N N 9 108.550 108.550 107.452 1.098 11451 6913 1 10 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.884 -1.284 11451 6914 1 10 . 1 1 9 9 GLY H H 9 7.320 7.320 7.773 -0.453 11451 6915 1 10 . 1 1 10 10 ASP N N 10 123.900 123.900 122.435 1.465 11451 6916 1 10 . 1 1 10 10 ASP HA H 10 5.620 5.620 4.801 0.819 11451 6917 1 10 . 1 1 10 10 ASP CA C 10 54.310 54.310 55.193 -0.882 11451 6918 1 10 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.309 0.191 11451 6919 1 10 . 1 1 10 10 ASP H H 10 8.857 8.857 8.428 0.429 11451 6920 1 10 . 1 1 11 11 ILE N N 11 121.150 121.150 124.046 -2.896 11451 6921 1 10 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.657 -0.321 11451 6922 1 10 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.081 1.195 11451 6923 1 10 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.354 -0.695 11451 6924 1 10 . 1 1 11 11 ILE H H 11 8.638 8.638 8.627 0.011 11451 6925 1 10 . 1 1 12 12 VAL N N 12 129.487 129.487 124.616 4.871 11451 6926 1 10 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.786 -0.255 11451 6927 1 10 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.649 1.661 11451 6928 1 10 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.967 -2.724 11451 6929 1 10 . 1 1 12 12 VAL H H 12 8.771 8.771 8.780 -0.009 11451 6930 1 10 . 1 1 13 13 ILE N N 13 127.702 127.702 126.140 1.562 11451 6931 1 10 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.833 -0.163 11451 6932 1 10 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.381 0.357 11451 6933 1 10 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.457 0.102 11451 6934 1 10 . 1 1 13 13 ILE H H 13 9.527 9.527 9.000 0.527 11451 6935 1 10 . 1 1 14 14 LYS N N 14 126.574 126.574 126.643 -0.069 11451 6936 1 10 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.599 0.178 11451 6937 1 10 . 1 1 14 14 LYS CA C 14 53.843 53.843 53.880 -0.037 11451 6938 1 10 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.474 1.026 11451 6939 1 10 . 1 1 14 14 LYS H H 14 8.684 8.684 8.762 -0.078 11451 6940 1 10 . 1 1 15 15 THR N N 15 113.811 113.811 117.910 -4.099 11451 6941 1 10 . 1 1 15 15 THR HA H 15 4.130 4.130 4.184 -0.054 11451 6942 1 10 . 1 1 15 15 THR CA C 15 59.806 59.806 60.858 -1.052 11451 6943 1 10 . 1 1 15 15 THR CB C 15 69.319 69.319 69.493 -0.174 11451 6944 1 10 . 1 1 15 15 THR H H 15 8.343 8.343 8.360 -0.017 11451 6945 1 10 . 1 1 16 16 PHE N N 16 122.611 122.611 123.944 -1.333 11451 6946 1 10 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.730 0.545 11451 6947 1 10 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.818 -1.528 11451 6948 1 10 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.939 -0.569 11451 6949 1 10 . 1 1 16 16 PHE H H 16 8.315 8.315 8.874 -0.559 11451 6950 1 10 . 1 1 17 17 ASP N N 17 120.182 120.182 122.512 -2.330 11451 6951 1 10 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.552 -0.790 11451 6952 1 10 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.545 0.413 11451 6953 1 10 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.801 -1.852 11451 6954 1 10 . 1 1 17 17 ASP H H 17 9.106 9.106 8.142 0.964 11451 6955 1 10 . 1 1 18 18 ASP N N 18 111.686 111.686 117.325 -5.639 11451 6956 1 10 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.578 -0.203 11451 6957 1 10 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.079 -1.056 11451 6958 1 10 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.912 -1.149 11451 6959 1 10 . 1 1 18 18 ASP H H 18 8.584 8.584 8.733 -0.149 11451 6960 1 10 . 1 1 19 19 LYS N N 19 118.003 118.003 116.576 1.427 11451 6961 1 10 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.429 0.007 11451 6962 1 10 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.717 -0.330 11451 6963 1 10 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.674 0.193 11451 6964 1 10 . 1 1 19 19 LYS H H 19 7.333 7.333 7.381 -0.048 11451 6965 1 10 . 1 1 20 20 ALA N N 20 123.657 123.657 121.586 2.071 11451 6966 1 10 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.029 -0.411 11451 6967 1 10 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.880 -0.763 11451 6968 1 10 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.856 -0.621 11451 6969 1 10 . 1 1 20 20 ALA H H 20 7.560 7.560 8.215 -0.655 11451 6970 1 10 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.258 0.166 11451 6971 1 10 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.691 0.586 11451 6972 1 10 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.902 -0.394 11451 6973 1 10 . 1 1 22 22 GLU N N 22 122.557 122.557 118.119 4.438 11451 6974 1 10 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.177 -0.165 11451 6975 1 10 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.119 0.505 11451 6976 1 10 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.001 -0.521 11451 6977 1 10 . 1 1 22 22 GLU H H 22 9.855 9.855 8.115 1.740 11451 6978 1 10 . 1 1 23 23 THR N N 23 122.201 122.201 117.406 4.795 11451 6979 1 10 . 1 1 23 23 THR HA H 23 3.584 3.584 4.085 -0.501 11451 6980 1 10 . 1 1 23 23 THR CA C 23 66.554 66.554 66.766 -0.213 11451 6981 1 10 . 1 1 23 23 THR CB C 23 67.614 67.614 68.743 -1.129 11451 6982 1 10 . 1 1 23 23 THR H H 23 9.390 9.390 8.804 0.586 11451 6983 1 10 . 1 1 24 24 VAL N N 24 125.111 125.111 121.349 3.762 11451 6984 1 10 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.747 -0.262 11451 6985 1 10 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.623 1.684 11451 6986 1 10 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.040 -0.151 11451 6987 1 10 . 1 1 24 24 VAL H H 24 9.359 9.359 8.642 0.717 11451 6988 1 10 . 1 1 25 25 LYS N N 25 121.050 121.050 120.698 0.352 11451 6989 1 10 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.950 -0.082 11451 6990 1 10 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.650 0.589 11451 6991 1 10 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.939 -0.241 11451 6992 1 10 . 1 1 25 25 LYS H H 25 7.686 7.686 8.499 -0.813 11451 6993 1 10 . 1 1 26 26 ASN N N 26 116.337 116.337 117.282 -0.945 11451 6994 1 10 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.424 -0.368 11451 6995 1 10 . 1 1 26 26 ASN CA C 26 56.559 56.559 55.891 0.668 11451 6996 1 10 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.386 2.306 11451 6997 1 10 . 1 1 26 26 ASN H H 26 7.535 7.535 7.720 -0.185 11451 6998 1 10 . 1 1 27 27 PHE N N 27 119.858 119.858 121.960 -2.102 11451 6999 1 10 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.429 0.110 11451 7000 1 10 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.684 -0.751 11451 7001 1 10 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.166 0.665 11451 7002 1 10 . 1 1 27 27 PHE H H 27 7.867 7.867 7.905 -0.038 11451 7003 1 10 . 1 1 28 28 LEU N N 28 120.761 120.761 119.788 0.973 11451 7004 1 10 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.920 -0.177 11451 7005 1 10 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.097 -0.229 11451 7006 1 10 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.423 -0.169 11451 7007 1 10 . 1 1 28 28 LEU H H 28 9.377 9.377 8.785 0.592 11451 7008 1 10 . 1 1 29 29 ASP N N 29 121.607 121.607 119.500 2.107 11451 7009 1 10 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.313 -0.018 11451 7010 1 10 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.703 0.126 11451 7011 1 10 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.408 -1.382 11451 7012 1 10 . 1 1 29 29 ASP H H 29 8.374 8.374 8.600 -0.226 11451 7013 1 10 . 1 1 30 30 TYR N N 30 118.959 118.959 119.603 -0.644 11451 7014 1 10 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.164 -0.159 11451 7015 1 10 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.413 0.334 11451 7016 1 10 . 1 1 30 30 TYR CB C 30 37.739 37.739 37.698 0.041 11451 7017 1 10 . 1 1 30 30 TYR H H 30 7.287 7.287 7.535 -0.248 11451 7018 1 10 . 1 1 31 31 CYS N N 31 116.202 116.202 118.115 -1.913 11451 7019 1 10 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.233 -0.199 11451 7020 1 10 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.820 0.583 11451 7021 1 10 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.345 -0.124 11451 7022 1 10 . 1 1 31 31 CYS H H 31 8.336 8.336 8.247 0.089 11451 7023 1 10 . 1 1 32 32 ARG N N 32 121.949 121.949 120.581 1.368 11451 7024 1 10 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.127 -0.265 11451 7025 1 10 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.703 1.016 11451 7026 1 10 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.026 0.348 11451 7027 1 10 . 1 1 32 32 ARG H H 32 9.077 9.077 8.284 0.793 11451 7028 1 10 . 1 1 33 33 GLU N N 33 116.667 116.667 116.545 0.122 11451 7029 1 10 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.353 -0.166 11451 7030 1 10 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.350 0.098 11451 7031 1 10 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.997 -0.739 11451 7032 1 10 . 1 1 33 33 GLU H H 33 7.920 7.920 7.631 0.289 11451 7033 1 10 . 1 1 34 34 GLY N N 34 107.273 107.273 106.997 0.276 11451 7034 1 10 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.242 0.156 11451 7035 1 10 . 1 1 34 34 GLY H H 34 7.533 7.533 7.986 -0.453 11451 7036 1 10 . 1 1 35 35 PHE N N 35 122.134 122.134 122.141 -0.007 11451 7037 1 10 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.025 -0.360 11451 7038 1 10 . 1 1 35 35 PHE CA C 35 61.605 61.605 61.674 -0.069 11451 7039 1 10 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.330 0.740 11451 7040 1 10 . 1 1 35 35 PHE H H 35 8.129 8.129 8.331 -0.202 11451 7041 1 10 . 1 1 36 36 TYR N N 36 111.250 111.250 114.350 -3.100 11451 7042 1 10 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.246 0.078 11451 7043 1 10 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.544 -0.866 11451 7044 1 10 . 1 1 36 36 TYR CB C 36 37.460 37.460 37.757 -0.297 11451 7045 1 10 . 1 1 36 36 TYR H H 36 7.355 7.355 8.297 -0.942 11451 7046 1 10 . 1 1 37 37 ASN N N 37 121.890 121.890 119.770 2.120 11451 7047 1 10 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.556 -0.732 11451 7048 1 10 . 1 1 37 37 ASN CA C 37 54.179 54.179 53.999 0.180 11451 7049 1 10 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.044 -2.189 11451 7050 1 10 . 1 1 37 37 ASN H H 37 7.106 7.106 7.514 -0.408 11451 7051 1 10 . 1 1 38 38 ASN N N 38 121.572 121.572 118.829 2.743 11451 7052 1 10 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.389 -0.341 11451 7053 1 10 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.353 0.367 11451 7054 1 10 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.615 0.923 11451 7055 1 10 . 1 1 38 38 ASN H H 38 9.235 9.235 8.617 0.618 11451 7056 1 10 . 1 1 39 39 THR N N 39 104.540 104.540 107.697 -3.157 11451 7057 1 10 . 1 1 39 39 THR HA H 39 5.006 5.006 5.265 -0.259 11451 7058 1 10 . 1 1 39 39 THR CA C 39 59.979 59.979 59.999 -0.020 11451 7059 1 10 . 1 1 39 39 THR CB C 39 72.789 72.789 71.481 1.308 11451 7060 1 10 . 1 1 39 39 THR H H 39 7.328 7.328 7.410 -0.082 11451 7061 1 10 . 1 1 40 40 ILE N N 40 108.904 108.904 115.319 -6.415 11451 7062 1 10 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.210 0.459 11451 7063 1 10 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.344 0.456 11451 7064 1 10 . 1 1 40 40 ILE CB C 40 39.724 39.724 42.135 -2.411 11451 7065 1 10 . 1 1 40 40 ILE H H 40 7.943 7.943 8.657 -0.714 11451 7066 1 10 . 1 1 41 41 PHE N N 41 122.068 122.068 122.640 -0.572 11451 7067 1 10 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.643 0.317 11451 7068 1 10 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.539 1.278 11451 7069 1 10 . 1 1 41 41 PHE CB C 41 37.410 37.410 37.398 0.012 11451 7070 1 10 . 1 1 41 41 PHE H H 41 8.289 8.289 8.715 -0.426 11451 7071 1 10 . 1 1 42 42 HIS N N 42 121.477 121.477 118.640 2.837 11451 7072 1 10 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.403 -0.127 11451 7073 1 10 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.763 -0.165 11451 7074 1 10 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.469 1.194 11451 7075 1 10 . 1 1 42 42 HIS H H 42 7.862 7.862 7.779 0.083 11451 7076 1 10 . 1 1 43 43 ARG N N 43 123.403 123.403 118.262 5.141 11451 7077 1 10 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.643 -0.027 11451 7078 1 10 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.998 0.320 11451 7079 1 10 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.458 -1.183 11451 7080 1 10 . 1 1 43 43 ARG H H 43 6.933 6.933 7.154 -0.221 11451 7081 1 10 . 1 1 44 44 VAL N N 44 129.359 129.359 124.559 4.800 11451 7082 1 10 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.558 -0.418 11451 7083 1 10 . 1 1 44 44 VAL CA C 44 62.374 62.374 59.757 2.617 11451 7084 1 10 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.471 -0.280 11451 7085 1 10 . 1 1 44 44 VAL H H 44 9.023 9.023 8.017 1.006 11451 7086 1 10 . 1 1 45 45 ILE N N 45 126.532 126.532 126.094 0.438 11451 7087 1 10 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.380 -0.144 11451 7088 1 10 . 1 1 45 45 ILE CA C 45 60.464 60.464 60.022 0.442 11451 7089 1 10 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.792 -1.842 11451 7090 1 10 . 1 1 45 45 ILE H H 45 8.243 8.243 8.079 0.164 11451 7091 1 10 . 1 1 46 46 ASN N N 46 128.015 128.015 127.543 0.472 11451 7092 1 10 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.628 -0.467 11451 7093 1 10 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.551 -0.210 11451 7094 1 10 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.420 -1.746 11451 7095 1 10 . 1 1 46 46 ASN H H 46 9.127 9.127 8.803 0.324 11451 7096 1 10 . 1 1 47 47 GLY N N 47 110.314 110.314 108.777 1.537 11451 7097 1 10 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.480 0.150 11451 7098 1 10 . 1 1 47 47 GLY H H 47 7.542 7.542 8.914 -1.372 11451 7099 1 10 . 1 1 48 48 PHE N N 48 116.701 116.701 118.180 -1.479 11451 7100 1 10 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.866 0.276 11451 7101 1 10 . 1 1 48 48 PHE CA C 48 57.500 57.500 55.993 1.507 11451 7102 1 10 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.279 -2.951 11451 7103 1 10 . 1 1 48 48 PHE H H 48 7.800 7.800 7.657 0.143 11451 7104 1 10 . 1 1 49 49 MET N N 49 117.710 117.710 118.621 -0.911 11451 7105 1 10 . 1 1 49 49 MET HA H 49 5.027 5.027 4.467 0.560 11451 7106 1 10 . 1 1 49 49 MET CA C 49 55.009 55.009 53.714 1.295 11451 7107 1 10 . 1 1 49 49 MET CB C 49 35.120 35.120 33.068 2.052 11451 7108 1 10 . 1 1 49 49 MET H H 49 8.363 8.363 6.857 1.506 11451 7109 1 10 . 1 1 50 50 ILE N N 50 110.774 110.774 113.019 -2.245 11451 7110 1 10 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.908 -0.041 11451 7111 1 10 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.272 0.463 11451 7112 1 10 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.719 -0.458 11451 7113 1 10 . 1 1 50 50 ILE H H 50 7.749 7.749 7.648 0.101 11451 7114 1 10 . 1 1 51 51 GLN N N 51 127.997 127.997 125.109 2.888 11451 7115 1 10 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.045 0.156 11451 7116 1 10 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.788 0.264 11451 7117 1 10 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.865 -1.181 11451 7118 1 10 . 1 1 51 51 GLN H H 51 9.198 9.198 8.556 0.642 11451 7119 1 10 . 1 1 52 52 GLY N N 52 111.413 111.413 107.417 3.996 11451 7120 1 10 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.155 1.138 11451 7121 1 10 . 1 1 52 52 GLY H H 52 8.037 8.037 8.502 -0.465 11451 7122 1 10 . 1 1 53 53 GLY N N 53 106.177 106.177 107.697 -1.520 11451 7123 1 10 . 1 1 53 53 GLY CA C 53 46.077 46.077 45.952 0.125 11451 7124 1 10 . 1 1 53 53 GLY H H 53 8.334 8.334 8.308 0.026 11451 7125 1 10 . 1 1 54 54 GLY N N 54 129.939 129.939 106.568 23.371 11451 7126 1 10 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.708 -0.296 11451 7127 1 10 . 1 1 54 54 GLY H H 54 9.068 9.068 7.864 1.204 11451 7128 1 10 . 1 1 55 55 PHE N N 55 121.195 121.195 116.424 4.771 11451 7129 1 10 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.251 -0.364 11451 7130 1 10 . 1 1 55 55 PHE CA C 55 56.698 56.698 55.761 0.937 11451 7131 1 10 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.530 -0.684 11451 7132 1 10 . 1 1 55 55 PHE H H 55 9.329 9.329 7.333 1.996 11451 7133 1 10 . 1 1 56 56 GLU N N 56 120.126 120.126 119.730 0.396 11451 7134 1 10 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.077 -0.229 11451 7135 1 10 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.424 0.775 11451 7136 1 10 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.077 -0.625 11451 7137 1 10 . 1 1 56 56 GLU H H 56 8.531 8.531 8.148 0.383 11451 7138 1 10 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.321 -0.331 11451 7139 1 10 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.459 0.404 11451 7140 1 10 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.650 -0.782 11451 7141 1 10 . 1 1 58 58 GLY N N 58 113.477 113.477 104.658 8.819 11451 7142 1 10 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.298 0.068 11451 7143 1 10 . 1 1 58 58 GLY H H 58 9.454 9.454 8.041 1.413 11451 7144 1 10 . 1 1 59 59 MET N N 59 114.007 114.007 116.606 -2.599 11451 7145 1 10 . 1 1 59 59 MET HA H 59 3.946 3.946 3.891 0.055 11451 7146 1 10 . 1 1 59 59 MET CA C 59 54.650 54.650 55.347 -0.697 11451 7147 1 10 . 1 1 59 59 MET CB C 59 25.875 25.875 28.966 -3.091 11451 7148 1 10 . 1 1 59 59 MET H H 59 8.027 8.027 7.915 0.112 11451 7149 1 10 . 1 1 60 60 LYS N N 60 120.420 120.420 120.375 0.045 11451 7150 1 10 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.420 0.046 11451 7151 1 10 . 1 1 60 60 LYS CA C 60 54.958 54.958 56.095 -1.137 11451 7152 1 10 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.593 -0.283 11451 7153 1 10 . 1 1 60 60 LYS H H 60 6.996 6.996 7.615 -0.619 11451 7154 1 10 . 1 1 61 61 GLN N N 61 130.250 130.250 126.575 3.675 11451 7155 1 10 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.137 -0.751 11451 7156 1 10 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.562 0.216 11451 7157 1 10 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.233 -0.792 11451 7158 1 10 . 1 1 61 61 GLN H H 61 8.965 8.965 8.803 0.163 11451 7159 1 10 . 1 1 62 62 LYS N N 62 126.196 126.196 126.564 -0.368 11451 7160 1 10 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.166 -0.036 11451 7161 1 10 . 1 1 62 62 LYS CA C 62 56.690 56.690 56.208 0.482 11451 7162 1 10 . 1 1 62 62 LYS CB C 62 32.772 32.772 33.018 -0.246 11451 7163 1 10 . 1 1 62 62 LYS H H 62 7.323 7.323 7.589 -0.266 11451 7164 1 10 . 1 1 63 63 ALA N N 63 127.588 127.588 123.956 3.632 11451 7165 1 10 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.535 -0.251 11451 7166 1 10 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.626 1.019 11451 7167 1 10 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.525 0.848 11451 7168 1 10 . 1 1 63 63 ALA H H 63 8.458 8.458 8.763 -0.305 11451 7169 1 10 . 1 1 64 64 THR N N 64 111.370 111.370 114.322 -2.952 11451 7170 1 10 . 1 1 64 64 THR HA H 64 4.550 4.550 4.319 0.231 11451 7171 1 10 . 1 1 64 64 THR CA C 64 60.554 60.554 62.496 -1.942 11451 7172 1 10 . 1 1 64 64 THR CB C 64 71.700 71.700 68.815 2.885 11451 7173 1 10 . 1 1 64 64 THR H H 64 8.122 8.122 7.867 0.255 11451 7174 1 10 . 1 1 65 65 LYS N N 65 118.451 118.451 126.433 -7.982 11451 7175 1 10 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.469 -0.050 11451 7176 1 10 . 1 1 65 65 LYS CA C 65 55.346 55.346 54.806 0.540 11451 7177 1 10 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.499 -3.017 11451 7178 1 10 . 1 1 65 65 LYS H H 65 7.879 7.879 8.539 -0.660 11451 7179 1 10 . 1 1 66 66 GLU N N 66 118.805 118.805 118.787 0.018 11451 7180 1 10 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.107 0.050 11451 7181 1 10 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.458 -0.576 11451 7182 1 10 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.052 0.298 11451 7183 1 10 . 1 1 66 66 GLU H H 66 7.872 7.872 8.587 -0.715 11451 7184 1 10 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.454 0.400 11451 7185 1 10 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.517 -1.363 11451 7186 1 10 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.074 0.616 11451 7187 1 10 . 1 1 68 68 ILE N N 68 112.686 112.686 124.358 -11.672 11451 7188 1 10 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.469 -0.032 11451 7189 1 10 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.848 -0.877 11451 7190 1 10 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.272 1.253 11451 7191 1 10 . 1 1 68 68 ILE H H 68 8.235 8.235 8.528 -0.293 11451 7192 1 10 . 1 1 69 69 LYS N N 69 121.199 121.199 121.677 -0.478 11451 7193 1 10 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.707 -0.766 11451 7194 1 10 . 1 1 69 69 LYS CA C 69 55.060 55.060 54.359 0.701 11451 7195 1 10 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.963 -0.823 11451 7196 1 10 . 1 1 69 69 LYS H H 69 7.849 7.849 8.245 -0.396 11451 7197 1 10 . 1 1 70 70 ASN N N 70 126.585 126.585 119.760 6.825 11451 7198 1 10 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.715 -0.493 11451 7199 1 10 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.834 -0.506 11451 7200 1 10 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.421 -1.284 11451 7201 1 10 . 1 1 70 70 ASN H H 70 10.816 10.816 8.995 1.821 11451 7202 1 10 . 1 1 71 71 GLU N N 71 126.223 126.223 125.136 1.087 11451 7203 1 10 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.667 -0.014 11451 7204 1 10 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.453 -0.856 11451 7205 1 10 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.607 0.173 11451 7206 1 10 . 1 1 71 71 GLU H H 71 8.202 8.202 8.913 -0.711 11451 7207 1 10 . 1 1 72 72 ALA N N 72 120.736 120.736 122.735 -1.999 11451 7208 1 10 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.218 0.014 11451 7209 1 10 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.673 0.447 11451 7210 1 10 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.223 -0.717 11451 7211 1 10 . 1 1 72 72 ALA H H 72 9.149 9.149 8.178 0.971 11451 7212 1 10 . 1 1 73 73 ASN N N 73 114.744 114.744 116.702 -1.958 11451 7213 1 10 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.628 0.553 11451 7214 1 10 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.521 -1.190 11451 7215 1 10 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.417 -1.741 11451 7216 1 10 . 1 1 73 73 ASN H H 73 7.892 7.892 8.341 -0.449 11451 7217 1 10 . 1 1 74 74 ASN N N 74 119.796 119.796 117.749 2.047 11451 7218 1 10 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.508 -0.129 11451 7219 1 10 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.031 -0.264 11451 7220 1 10 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.218 0.197 11451 7221 1 10 . 1 1 74 74 ASN H H 74 8.408 8.408 7.377 1.031 11451 7222 1 10 . 1 1 75 75 GLY N N 75 108.891 108.891 107.906 0.985 11451 7223 1 10 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.424 0.203 11451 7224 1 10 . 1 1 75 75 GLY H H 75 7.971 7.971 7.721 0.250 11451 7225 1 10 . 1 1 76 76 LEU N N 76 120.602 120.602 120.202 0.400 11451 7226 1 10 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.294 0.017 11451 7227 1 10 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.884 -0.285 11451 7228 1 10 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.658 -1.570 11451 7229 1 10 . 1 1 76 76 LEU H H 76 7.734 7.734 8.016 -0.282 11451 7230 1 10 . 1 1 77 77 LYS N N 77 121.982 121.982 118.840 3.142 11451 7231 1 10 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.792 -0.342 11451 7232 1 10 . 1 1 77 77 LYS CA C 77 55.001 55.001 55.177 -0.176 11451 7233 1 10 . 1 1 77 77 LYS CB C 77 34.700 34.700 34.988 -0.288 11451 7234 1 10 . 1 1 77 77 LYS H H 77 8.161 8.161 8.253 -0.092 11451 7235 1 10 . 1 1 78 78 ASN N N 78 124.764 124.764 124.602 0.162 11451 7236 1 10 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.024 -0.357 11451 7237 1 10 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.003 1.311 11451 7238 1 10 . 1 1 78 78 ASN CB C 78 37.130 37.130 38.262 -1.132 11451 7239 1 10 . 1 1 78 78 ASN H H 78 9.564 9.564 9.474 0.090 11451 7240 1 10 . 1 1 79 79 THR N N 79 114.955 114.955 113.418 1.537 11451 7241 1 10 . 1 1 79 79 THR HA H 79 4.263 4.263 4.812 -0.549 11451 7242 1 10 . 1 1 79 79 THR CA C 79 60.774 60.774 60.361 0.413 11451 7243 1 10 . 1 1 79 79 THR CB C 79 70.347 70.347 70.539 -0.192 11451 7244 1 10 . 1 1 79 79 THR H H 79 8.190 8.190 7.842 0.348 11451 7245 1 10 . 1 1 80 80 ARG N N 80 124.080 124.080 122.680 1.400 11451 7246 1 10 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.109 -0.906 11451 7247 1 10 . 1 1 80 80 ARG CA C 80 58.487 58.487 55.931 2.556 11451 7248 1 10 . 1 1 80 80 ARG CB C 80 28.909 28.909 28.703 0.206 11451 7249 1 10 . 1 1 80 80 ARG H H 80 9.203 9.203 8.424 0.779 11451 7250 1 10 . 1 1 81 81 GLY N N 81 115.741 115.741 113.664 2.077 11451 7251 1 10 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.373 -0.302 11451 7252 1 10 . 1 1 81 81 GLY H H 81 8.976 8.976 9.287 -0.311 11451 7253 1 10 . 1 1 82 82 THR N N 82 110.362 110.362 111.953 -1.591 11451 7254 1 10 . 1 1 82 82 THR HA H 82 4.623 4.623 4.605 0.018 11451 7255 1 10 . 1 1 82 82 THR CA C 82 61.694 61.694 59.853 1.841 11451 7256 1 10 . 1 1 82 82 THR CB C 82 72.230 72.230 71.296 0.934 11451 7257 1 10 . 1 1 82 82 THR H H 82 8.070 8.070 7.692 0.378 11451 7258 1 10 . 1 1 83 83 LEU N N 83 121.341 121.341 123.034 -1.693 11451 7259 1 10 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.376 -0.157 11451 7260 1 10 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.888 0.462 11451 7261 1 10 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.624 -2.105 11451 7262 1 10 . 1 1 83 83 LEU H H 83 7.918 7.918 8.429 -0.511 11451 7263 1 10 . 1 1 84 84 ALA N N 84 121.663 121.663 124.023 -2.360 11451 7264 1 10 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.259 0.258 11451 7265 1 10 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.669 -0.600 11451 7266 1 10 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.577 1.408 11451 7267 1 10 . 1 1 84 84 ALA H H 84 8.053 8.053 8.006 0.047 11451 7268 1 10 . 1 1 85 85 MET N N 85 115.338 115.338 119.673 -4.335 11451 7269 1 10 . 1 1 85 85 MET HA H 85 5.241 5.241 4.707 0.534 11451 7270 1 10 . 1 1 85 85 MET CA C 85 52.707 52.707 55.501 -2.794 11451 7271 1 10 . 1 1 85 85 MET CB C 85 29.801 29.801 33.772 -3.971 11451 7272 1 10 . 1 1 85 85 MET H H 85 7.539 7.539 8.009 -0.470 11451 7273 1 10 . 1 1 86 86 ALA N N 86 126.558 126.558 125.856 0.702 11451 7274 1 10 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.947 -0.264 11451 7275 1 10 . 1 1 86 86 ALA CA C 86 51.207 51.207 50.921 0.286 11451 7276 1 10 . 1 1 86 86 ALA CB C 86 19.416 19.416 21.064 -1.648 11451 7277 1 10 . 1 1 86 86 ALA H H 86 8.287 8.287 8.762 -0.475 11451 7278 1 10 . 1 1 87 87 ARG N N 87 113.623 113.623 119.114 -5.491 11451 7279 1 10 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.809 -0.175 11451 7280 1 10 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.259 0.509 11451 7281 1 10 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.285 -2.563 11451 7282 1 10 . 1 1 87 87 ARG H H 87 8.031 8.031 8.597 -0.566 11451 7283 1 10 . 1 1 88 88 THR N N 88 111.627 111.627 115.775 -4.148 11451 7284 1 10 . 1 1 88 88 THR HA H 88 4.624 4.624 4.233 0.391 11451 7285 1 10 . 1 1 88 88 THR CA C 88 60.554 60.554 65.126 -4.572 11451 7286 1 10 . 1 1 88 88 THR CB C 88 68.430 68.430 69.210 -0.780 11451 7287 1 10 . 1 1 88 88 THR H H 88 7.892 7.892 8.504 -0.612 11451 7288 1 10 . 1 1 89 89 GLN N N 89 117.361 117.361 117.872 -0.511 11451 7289 1 10 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.400 -0.549 11451 7290 1 10 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.881 2.030 11451 7291 1 10 . 1 1 89 89 GLN CB C 89 28.370 28.370 29.876 -1.506 11451 7292 1 10 . 1 1 89 89 GLN H H 89 8.188 8.188 8.055 0.133 11451 7293 1 10 . 1 1 90 90 ALA N N 90 122.998 122.998 124.809 -1.811 11451 7294 1 10 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.638 -0.293 11451 7295 1 10 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.520 -0.794 11451 7296 1 10 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.947 -0.773 11451 7297 1 10 . 1 1 90 90 ALA H H 90 7.962 7.962 8.191 -0.229 11451 7298 1 10 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.906 -0.438 11451 7299 1 10 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.370 1.067 11451 7300 1 10 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.327 -1.358 11451 7301 1 10 . 1 1 92 92 HIS N N 92 118.470 118.470 113.901 4.569 11451 7302 1 10 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.982 -0.158 11451 7303 1 10 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.048 -0.847 11451 7304 1 10 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.105 -0.796 11451 7305 1 10 . 1 1 92 92 HIS H H 92 7.977 7.977 8.000 -0.023 11451 7306 1 10 . 1 1 93 93 SER N N 93 108.425 108.425 115.009 -6.584 11451 7307 1 10 . 1 1 93 93 SER HA H 93 4.380 4.380 4.625 -0.244 11451 7308 1 10 . 1 1 93 93 SER CA C 93 57.696 57.696 57.927 -0.231 11451 7309 1 10 . 1 1 93 93 SER CB C 93 65.924 65.924 63.815 2.109 11451 7310 1 10 . 1 1 93 93 SER H H 93 6.374 6.374 7.716 -1.342 11451 7311 1 10 . 1 1 94 94 ALA N N 94 130.109 130.109 125.769 4.340 11451 7312 1 10 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.063 -0.787 11451 7313 1 10 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.017 3.156 11451 7314 1 10 . 1 1 94 94 ALA CB C 94 20.366 20.366 20.273 0.094 11451 7315 1 10 . 1 1 94 94 ALA H H 94 8.543 8.543 7.351 1.192 11451 7316 1 10 . 1 1 95 95 THR N N 95 110.794 110.794 117.249 -6.455 11451 7317 1 10 . 1 1 95 95 THR HA H 95 4.722 4.722 4.449 0.273 11451 7318 1 10 . 1 1 95 95 THR CA C 95 59.725 59.725 63.695 -3.970 11451 7319 1 10 . 1 1 95 95 THR CB C 95 70.157 70.157 69.816 0.341 11451 7320 1 10 . 1 1 95 95 THR H H 95 8.925 8.925 8.254 0.671 11451 7321 1 10 . 1 1 96 96 ALA N N 96 121.615 121.615 121.581 0.034 11451 7322 1 10 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.713 -0.286 11451 7323 1 10 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.557 -0.021 11451 7324 1 10 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.919 3.297 11451 7325 1 10 . 1 1 96 96 ALA H H 96 7.954 7.954 8.283 -0.329 11451 7326 1 10 . 1 1 97 97 GLN N N 97 115.548 115.548 120.276 -4.728 11451 7327 1 10 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.845 -0.216 11451 7328 1 10 . 1 1 97 97 GLN CA C 97 57.388 57.388 57.003 0.385 11451 7329 1 10 . 1 1 97 97 GLN CB C 97 30.757 30.757 29.298 1.459 11451 7330 1 10 . 1 1 97 97 GLN H H 97 7.866 7.866 8.208 -0.342 11451 7331 1 10 . 1 1 98 98 PHE N N 98 117.593 117.593 119.398 -1.805 11451 7332 1 10 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.636 0.152 11451 7333 1 10 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.572 -0.917 11451 7334 1 10 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.292 -0.067 11451 7335 1 10 . 1 1 98 98 PHE H H 98 7.623 7.623 8.416 -0.793 11451 7336 1 10 . 1 1 99 99 PHE N N 99 116.226 116.226 114.561 1.665 11451 7337 1 10 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.331 0.401 11451 7338 1 10 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.408 -0.359 11451 7339 1 10 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.219 1.801 11451 7340 1 10 . 1 1 99 99 PHE H H 99 9.518 9.518 8.819 0.699 11451 7341 1 10 . 1 1 100 100 ILE N N 100 117.687 117.687 120.384 -2.697 11451 7342 1 10 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.845 -0.018 11451 7343 1 10 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.072 -0.723 11451 7344 1 10 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.792 -0.123 11451 7345 1 10 . 1 1 100 100 ILE H H 100 9.136 9.136 8.822 0.314 11451 7346 1 10 . 1 1 101 101 ASN N N 101 126.524 126.524 128.481 -1.957 11451 7347 1 10 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.733 -0.274 11451 7348 1 10 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.135 2.598 11451 7349 1 10 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.130 1.796 11451 7350 1 10 . 1 1 101 101 ASN H H 101 8.877 8.877 9.258 -0.381 11451 7351 1 10 . 1 1 102 102 VAL N N 102 117.660 117.660 119.806 -2.146 11451 7352 1 10 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.003 0.408 11451 7353 1 10 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.408 -1.501 11451 7354 1 10 . 1 1 102 102 VAL CB C 102 30.370 30.370 31.915 -1.545 11451 7355 1 10 . 1 1 102 102 VAL H H 102 7.700 7.700 7.731 -0.031 11451 7356 1 10 . 1 1 103 103 VAL N N 103 116.637 116.637 111.815 4.822 11451 7357 1 10 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.496 -0.143 11451 7358 1 10 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.788 0.871 11451 7359 1 10 . 1 1 103 103 VAL CB C 103 35.510 35.510 35.011 0.499 11451 7360 1 10 . 1 1 103 103 VAL H H 103 7.753 7.753 6.937 0.816 11451 7361 1 10 . 1 1 104 104 ASP N N 104 118.510 118.510 121.508 -2.998 11451 7362 1 10 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.543 -0.287 11451 7363 1 10 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.199 0.301 11451 7364 1 10 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.333 -2.245 11451 7365 1 10 . 1 1 104 104 ASP H H 104 8.171 8.171 8.497 -0.326 11451 7366 1 10 . 1 1 105 105 ASN N N 105 128.132 128.132 126.151 1.981 11451 7367 1 10 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.705 0.374 11451 7368 1 10 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.039 -0.510 11451 7369 1 10 . 1 1 105 105 ASN CB C 105 39.135 39.135 38.640 0.495 11451 7370 1 10 . 1 1 105 105 ASN H H 105 8.352 8.352 8.734 -0.382 11451 7371 1 10 . 1 1 106 106 ASP N N 106 121.636 121.636 122.153 -0.517 11451 7372 1 10 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.323 -0.052 11451 7373 1 10 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.252 -0.465 11451 7374 1 10 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.995 -1.190 11451 7375 1 10 . 1 1 106 106 ASP H H 106 8.203 8.203 8.429 -0.226 11451 7376 1 10 . 1 1 107 107 PHE N N 107 114.525 114.525 114.180 0.345 11451 7377 1 10 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.389 0.109 11451 7378 1 10 . 1 1 107 107 PHE CA C 107 57.395 57.395 58.634 -1.239 11451 7379 1 10 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.200 -1.419 11451 7380 1 10 . 1 1 107 107 PHE H H 107 7.388 7.388 7.804 -0.416 11451 7381 1 10 . 1 1 108 108 LEU N N 108 121.576 121.576 118.503 3.073 11451 7382 1 10 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.530 -0.064 11451 7383 1 10 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.146 -0.668 11451 7384 1 10 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.452 0.647 11451 7385 1 10 . 1 1 108 108 LEU H H 108 7.163 7.163 7.482 -0.319 11451 7386 1 10 . 1 1 109 109 ASN N N 109 116.121 116.121 118.059 -1.938 11451 7387 1 10 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.913 0.236 11451 7388 1 10 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.288 -0.319 11451 7389 1 10 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.157 -1.038 11451 7390 1 10 . 1 1 109 109 ASN H H 109 7.312 7.312 7.603 -0.291 11451 7391 1 10 . 1 1 110 110 PHE N N 110 124.182 124.182 120.312 3.870 11451 7392 1 10 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.745 -0.493 11451 7393 1 10 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.465 -0.410 11451 7394 1 10 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.279 -0.486 11451 7395 1 10 . 1 1 110 110 PHE H H 110 8.825 8.825 8.874 -0.049 11451 7396 1 10 . 1 1 111 111 SER N N 111 122.136 122.136 119.536 2.600 11451 7397 1 10 . 1 1 111 111 SER HA H 111 4.179 4.179 4.352 -0.173 11451 7398 1 10 . 1 1 111 111 SER CA C 111 57.521 57.521 58.219 -0.698 11451 7399 1 10 . 1 1 111 111 SER CB C 111 64.617 64.617 64.394 0.223 11451 7400 1 10 . 1 1 111 111 SER H H 111 9.456 9.456 7.936 1.520 11451 7401 1 10 . 1 1 112 112 GLY N N 112 110.435 110.435 108.568 1.867 11451 7402 1 10 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.722 0.656 11451 7403 1 10 . 1 1 112 112 GLY H H 112 5.514 5.514 6.502 -0.988 11451 7404 1 10 . 1 1 113 113 GLU N N 113 118.926 118.926 117.122 1.804 11451 7405 1 10 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.630 -0.983 11451 7406 1 10 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.042 -2.072 11451 7407 1 10 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.259 -2.596 11451 7408 1 10 . 1 1 113 113 GLU H H 113 7.862 7.862 8.151 -0.289 11451 7409 1 10 . 1 1 114 114 SER N N 114 119.323 119.323 113.806 5.517 11451 7410 1 10 . 1 1 114 114 SER HA H 114 4.625 4.625 4.777 -0.152 11451 7411 1 10 . 1 1 114 114 SER CA C 114 56.279 56.279 57.337 -1.058 11451 7412 1 10 . 1 1 114 114 SER H H 114 7.621 7.621 7.880 -0.259 11451 7413 1 10 . 1 1 115 115 LEU N N 115 122.373 122.373 126.951 -4.578 11451 7414 1 10 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.941 0.176 11451 7415 1 10 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.320 1.640 11451 7416 1 10 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.796 -0.671 11451 7417 1 10 . 1 1 115 115 LEU H H 115 8.745 8.745 8.983 -0.238 11451 7418 1 10 . 1 1 116 116 GLN N N 116 114.490 114.490 116.977 -2.487 11451 7419 1 10 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.289 -0.027 11451 7420 1 10 . 1 1 116 116 GLN CA C 116 57.127 57.127 57.013 0.114 11451 7421 1 10 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.379 -0.182 11451 7422 1 10 . 1 1 116 116 GLN H H 116 8.292 8.292 8.259 0.033 11451 7423 1 10 . 1 1 117 117 GLY N N 117 109.729 109.729 108.865 0.864 11451 7424 1 10 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.937 0.604 11451 7425 1 10 . 1 1 117 117 GLY H H 117 7.832 7.832 8.260 -0.428 11451 7426 1 10 . 1 1 118 118 TRP N N 118 123.807 123.807 123.806 0.001 11451 7427 1 10 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.821 -0.507 11451 7428 1 10 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.666 7.628 11451 7429 1 10 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.138 2.029 11451 7430 1 10 . 1 1 118 118 TRP H H 118 7.801 7.801 7.737 0.064 11451 7431 1 10 . 1 1 119 119 GLY N N 119 124.815 124.815 111.642 13.173 11451 7432 1 10 . 1 1 119 119 GLY CA C 119 45.319 45.319 44.856 0.463 11451 7433 1 10 . 1 1 119 119 GLY H H 119 7.438 7.438 8.392 -0.954 11451 7434 1 10 . 1 1 120 120 TYR N N 120 119.720 119.720 118.903 0.817 11451 7435 1 10 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.061 0.141 11451 7436 1 10 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.094 0.225 11451 7437 1 10 . 1 1 120 120 TYR CB C 120 39.739 39.739 41.769 -2.030 11451 7438 1 10 . 1 1 120 120 TYR H H 120 8.281 8.281 8.574 -0.293 11451 7439 1 10 . 1 1 121 121 CYS N N 121 126.117 126.117 122.721 3.396 11451 7440 1 10 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.661 -0.422 11451 7441 1 10 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.461 1.236 11451 7442 1 10 . 1 1 121 121 CYS CB C 121 28.010 28.010 29.187 -1.177 11451 7443 1 10 . 1 1 121 121 CYS H H 121 9.818 9.818 8.998 0.820 11451 7444 1 10 . 1 1 122 122 VAL N N 122 106.168 106.168 129.377 -23.209 11451 7445 1 10 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.158 0.405 11451 7446 1 10 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.278 -0.628 11451 7447 1 10 . 1 1 122 122 VAL CB C 122 31.479 31.479 31.251 0.228 11451 7448 1 10 . 1 1 122 122 VAL H H 122 9.382 9.382 8.970 0.412 11451 7449 1 10 . 1 1 123 123 PHE N N 123 118.398 118.398 125.058 -6.660 11451 7450 1 10 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.597 0.264 11451 7451 1 10 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.919 -2.980 11451 7452 1 10 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.495 2.145 11451 7453 1 10 . 1 1 123 123 PHE H H 123 7.842 7.842 7.920 -0.078 11451 7454 1 10 . 1 1 124 124 ALA N N 124 124.412 124.412 118.524 5.888 11451 7455 1 10 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.680 -0.030 11451 7456 1 10 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.577 0.182 11451 7457 1 10 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.674 1.962 11451 7458 1 10 . 1 1 124 124 ALA H H 124 7.327 7.327 7.126 0.201 11451 7459 1 10 . 1 1 125 125 GLU N N 125 115.272 115.272 117.293 -2.021 11451 7460 1 10 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.625 0.146 11451 7461 1 10 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.301 0.350 11451 7462 1 10 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.487 -0.717 11451 7463 1 10 . 1 1 125 125 GLU H H 125 8.223 8.223 8.123 0.100 11451 7464 1 10 . 1 1 126 126 VAL N N 126 123.948 123.948 121.399 2.549 11451 7465 1 10 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.981 -0.072 11451 7466 1 10 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.992 -0.727 11451 7467 1 10 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.589 -0.779 11451 7468 1 10 . 1 1 126 126 VAL H H 126 8.786 8.786 8.265 0.521 11451 7469 1 10 . 1 1 127 127 VAL N N 127 123.644 123.644 128.036 -4.392 11451 7470 1 10 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.191 0.159 11451 7471 1 10 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.998 -2.505 11451 7472 1 10 . 1 1 127 127 VAL CB C 127 32.482 32.482 33.104 -0.622 11451 7473 1 10 . 1 1 127 127 VAL H H 127 9.096 9.096 8.973 0.123 11451 7474 1 10 . 1 1 128 128 ASP N N 128 121.165 121.165 119.099 2.066 11451 7475 1 10 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.810 0.112 11451 7476 1 10 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.649 0.752 11451 7477 1 10 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.240 -1.191 11451 7478 1 10 . 1 1 128 128 ASP H H 128 7.719 7.719 7.734 -0.015 11451 7479 1 10 . 1 1 129 129 GLY N N 129 110.821 110.821 108.794 2.027 11451 7480 1 10 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.553 0.208 11451 7481 1 10 . 1 1 129 129 GLY H H 129 8.276 8.276 8.947 -0.671 11451 7482 1 10 . 1 1 130 130 MET N N 130 122.991 122.991 120.566 2.425 11451 7483 1 10 . 1 1 130 130 MET HA H 130 4.468 4.468 4.206 0.262 11451 7484 1 10 . 1 1 130 130 MET CA C 130 55.953 55.953 57.153 -1.200 11451 7485 1 10 . 1 1 130 130 MET CB C 130 28.771 28.771 31.227 -2.456 11451 7486 1 10 . 1 1 130 130 MET H H 130 8.945 8.945 8.448 0.497 11451 7487 1 10 . 1 1 131 131 ASP N N 131 117.183 117.183 118.127 -0.944 11451 7488 1 10 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.424 -0.179 11451 7489 1 10 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.238 -0.599 11451 7490 1 10 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.335 -1.657 11451 7491 1 10 . 1 1 131 131 ASP H H 131 8.924 8.924 8.721 0.203 11451 7492 1 10 . 1 1 132 132 VAL N N 132 124.340 124.340 119.250 5.090 11451 7493 1 10 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.830 -0.391 11451 7494 1 10 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.442 0.573 11451 7495 1 10 . 1 1 132 132 VAL CB C 132 30.781 30.781 32.036 -1.255 11451 7496 1 10 . 1 1 132 132 VAL H H 132 7.222 7.222 7.558 -0.336 11451 7497 1 10 . 1 1 133 133 VAL N N 133 121.730 121.730 120.738 0.992 11451 7498 1 10 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.415 -0.397 11451 7499 1 10 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.855 0.221 11451 7500 1 10 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.408 -0.588 11451 7501 1 10 . 1 1 133 133 VAL H H 133 7.367 7.367 8.039 -0.672 11451 7502 1 10 . 1 1 134 134 ASP N N 134 117.555 117.555 117.524 0.031 11451 7503 1 10 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.405 -0.155 11451 7504 1 10 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.666 -0.404 11451 7505 1 10 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.078 -1.266 11451 7506 1 10 . 1 1 134 134 ASP H H 134 8.411 8.411 8.285 0.126 11451 7507 1 10 . 1 1 135 135 LYS N N 135 122.646 122.646 119.126 3.520 11451 7508 1 10 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.133 -0.132 11451 7509 1 10 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.742 0.166 11451 7510 1 10 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.678 -0.668 11451 7511 1 10 . 1 1 135 135 LYS H H 135 7.418 7.418 7.363 0.055 11451 7512 1 10 . 1 1 136 136 ILE N N 136 121.613 121.613 118.646 2.967 11451 7513 1 10 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.512 -0.450 11451 7514 1 10 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.789 0.518 11451 7515 1 10 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.759 -0.460 11451 7516 1 10 . 1 1 136 136 ILE H H 136 8.075 8.075 8.183 -0.108 11451 7517 1 10 . 1 1 137 137 LYS N N 137 113.499 113.499 115.874 -2.375 11451 7518 1 10 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.162 -0.418 11451 7519 1 10 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.686 0.202 11451 7520 1 10 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.204 -0.849 11451 7521 1 10 . 1 1 137 137 LYS H H 137 7.976 7.976 7.518 0.458 11451 7522 1 10 . 1 1 138 138 GLY N N 138 104.829 104.829 107.049 -2.220 11451 7523 1 10 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.111 -0.930 11451 7524 1 10 . 1 1 138 138 GLY H H 138 6.858 6.858 7.644 -0.786 11451 7525 1 10 . 1 1 139 139 VAL N N 139 116.189 116.189 117.601 -1.412 11451 7526 1 10 . 1 1 139 139 VAL HA H 139 4.083 4.083 4.019 0.064 11451 7527 1 10 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.157 -2.413 11451 7528 1 10 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.845 1.005 11451 7529 1 10 . 1 1 139 139 VAL H H 139 7.220 7.220 7.734 -0.514 11451 7530 1 10 . 1 1 140 140 ALA N N 140 123.097 123.097 120.597 2.500 11451 7531 1 10 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.510 -0.228 11451 7532 1 10 . 1 1 140 140 ALA CA C 140 52.850 52.850 51.940 0.910 11451 7533 1 10 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.242 -1.870 11451 7534 1 10 . 1 1 140 140 ALA H H 140 8.262 8.262 7.853 0.409 11451 7535 1 10 . 1 1 141 141 THR N N 141 113.326 113.326 112.367 0.959 11451 7536 1 10 . 1 1 141 141 THR HA H 141 4.925 4.925 4.551 0.374 11451 7537 1 10 . 1 1 141 141 THR CA C 141 59.382 59.382 60.691 -1.309 11451 7538 1 10 . 1 1 141 141 THR CB C 141 73.286 73.286 71.445 1.841 11451 7539 1 10 . 1 1 141 141 THR H H 141 8.278 8.278 8.165 0.113 11451 7540 1 10 . 1 1 142 142 GLY N N 142 107.299 107.299 110.413 -3.114 11451 7541 1 10 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.688 -0.515 11451 7542 1 10 . 1 1 142 142 GLY H H 142 8.484 8.484 8.450 0.034 11451 7543 1 10 . 1 1 143 143 ARG N N 143 120.230 120.230 121.625 -1.395 11451 7544 1 10 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.210 0.587 11451 7545 1 10 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.603 -1.403 11451 7546 1 10 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.794 0.557 11451 7547 1 10 . 1 1 143 143 ARG H H 143 8.185 8.185 8.209 -0.024 11451 7548 1 10 . 1 1 144 144 SER N N 144 119.429 119.429 119.398 0.031 11451 7549 1 10 . 1 1 144 144 SER HA H 144 4.466 4.466 4.637 -0.171 11451 7550 1 10 . 1 1 144 144 SER CA C 144 56.856 56.856 57.213 -0.357 11451 7551 1 10 . 1 1 144 144 SER CB C 144 63.174 63.174 65.464 -2.290 11451 7552 1 10 . 1 1 144 144 SER H H 144 8.427 8.427 8.600 -0.173 11451 7553 1 10 . 1 1 145 145 GLY N N 145 117.736 117.736 107.972 9.764 11451 7554 1 10 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.351 0.335 11451 7555 1 10 . 1 1 145 145 GLY H H 145 8.902 8.902 8.857 0.045 11451 7556 1 10 . 1 1 146 146 MET N N 146 125.723 125.723 119.020 6.703 11451 7557 1 10 . 1 1 146 146 MET HA H 146 4.315 4.315 4.484 -0.169 11451 7558 1 10 . 1 1 146 146 MET CA C 146 55.431 55.431 55.862 -0.431 11451 7559 1 10 . 1 1 146 146 MET H H 146 8.827 8.827 7.542 1.285 11451 7560 1 10 . 1 1 147 147 HIS N N 147 121.581 121.581 117.201 4.380 11451 7561 1 10 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.852 -0.428 11451 7562 1 10 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.279 0.796 11451 7563 1 10 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.354 -0.761 11451 7564 1 10 . 1 1 147 147 HIS H H 147 8.010 8.010 8.121 -0.111 11451 7565 1 10 . 1 1 148 148 GLN N N 148 121.305 121.305 125.134 -3.829 11451 7566 1 10 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.448 0.022 11451 7567 1 10 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.802 -1.338 11451 7568 1 10 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.112 1.579 11451 7569 1 10 . 1 1 148 148 GLN H H 148 8.681 8.681 8.617 0.064 11451 7570 1 10 . 1 1 149 149 ASP N N 149 117.085 117.085 117.338 -0.253 11451 7571 1 10 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.734 -0.255 11451 7572 1 10 . 1 1 149 149 ASP H H 149 8.635 8.635 8.696 -0.061 11451 7573 1 10 . 1 1 150 150 VAL N N 150 120.313 120.313 111.888 8.425 11451 7574 1 10 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.673 -0.294 11451 7575 1 10 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.170 0.998 11451 7576 1 10 . 1 1 150 150 VAL CB C 150 33.080 33.080 33.856 -0.776 11451 7577 1 10 . 1 1 150 150 VAL H H 150 8.470 8.470 7.549 0.921 11451 7578 1 10 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.591 -0.177 11451 7579 1 10 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.856 1.080 11451 7580 1 10 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.684 -0.508 11451 7581 1 10 . 1 1 152 152 LYS N N 152 125.675 125.675 120.453 5.222 11451 7582 1 10 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.238 -0.367 11451 7583 1 10 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.197 1.404 11451 7584 1 10 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.454 -0.669 11451 7585 1 10 . 1 1 152 152 LYS H H 152 8.169 8.169 8.534 -0.365 11451 7586 1 10 . 1 1 153 153 GLU N N 153 119.081 119.081 121.276 -2.195 11451 7587 1 10 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.333 0.062 11451 7588 1 10 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.385 -1.169 11451 7589 1 10 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.669 0.069 11451 7590 1 10 . 1 1 153 153 GLU H H 153 7.960 7.960 8.077 -0.117 11451 7591 1 10 . 1 1 154 154 ASP N N 154 121.884 121.884 121.444 0.440 11451 7592 1 10 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.585 -0.353 11451 7593 1 10 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.566 2.534 11451 7594 1 10 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.702 -0.162 11451 7595 1 10 . 1 1 154 154 ASP H H 154 8.149 8.149 8.618 -0.469 11451 7596 1 10 . 1 1 155 155 VAL N N 155 129.777 129.777 125.746 4.031 11451 7597 1 10 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.340 0.099 11451 7598 1 10 . 1 1 155 155 VAL CA C 155 62.311 62.311 62.013 0.298 11451 7599 1 10 . 1 1 155 155 VAL CB C 155 31.469 31.469 31.689 -0.220 11451 7600 1 10 . 1 1 155 155 VAL H H 155 10.043 10.043 8.598 1.445 11451 7601 1 10 . 1 1 156 156 ILE N N 156 125.807 125.807 123.423 2.384 11451 7602 1 10 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.311 -0.899 11451 7603 1 10 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.601 2.084 11451 7604 1 10 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.483 0.431 11451 7605 1 10 . 1 1 156 156 ILE H H 156 8.252 8.252 9.169 -0.917 11451 7606 1 10 . 1 1 157 157 ILE N N 157 126.581 126.581 126.997 -0.416 11451 7607 1 10 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.187 -0.508 11451 7608 1 10 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.995 0.510 11451 7609 1 10 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.444 -0.072 11451 7610 1 10 . 1 1 157 157 ILE H H 157 9.168 9.168 9.169 -0.001 11451 7611 1 10 . 1 1 158 158 GLU N N 158 130.185 130.185 128.832 1.353 11451 7612 1 10 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.226 -0.186 11451 7613 1 10 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.760 0.146 11451 7614 1 10 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.648 -0.650 11451 7615 1 10 . 1 1 158 158 GLU H H 158 8.910 8.910 8.642 0.268 11451 7616 1 10 . 1 1 159 159 SER N N 159 108.037 108.037 111.717 -3.680 11451 7617 1 10 . 1 1 159 159 SER HA H 159 4.399 4.399 4.725 -0.326 11451 7618 1 10 . 1 1 159 159 SER CA C 159 57.505 57.505 57.008 0.497 11451 7619 1 10 . 1 1 159 159 SER CB C 159 64.403 64.403 64.658 -0.255 11451 7620 1 10 . 1 1 159 159 SER H H 159 7.772 7.772 8.334 -0.562 11451 7621 1 10 . 1 1 160 160 VAL N N 160 119.790 119.790 121.435 -1.645 11451 7622 1 10 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.414 -0.239 11451 7623 1 10 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.246 -0.681 11451 7624 1 10 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.961 -0.946 11451 7625 1 10 . 1 1 160 160 VAL H H 160 7.681 7.681 8.581 -0.900 11451 7626 1 10 . 1 1 161 161 THR N N 161 122.628 122.628 121.820 0.808 11451 7627 1 10 . 1 1 161 161 THR HA H 161 4.662 4.662 4.769 -0.107 11451 7628 1 10 . 1 1 161 161 THR CA C 161 61.452 61.452 61.113 0.339 11451 7629 1 10 . 1 1 161 161 THR CB C 161 70.781 70.781 71.739 -0.958 11451 7630 1 10 . 1 1 161 161 THR H H 161 8.817 8.817 9.234 -0.417 11451 7631 1 10 . 1 1 162 162 VAL N N 162 129.304 129.304 127.930 1.374 11451 7632 1 10 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.343 0.144 11451 7633 1 10 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.522 -0.765 11451 7634 1 10 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.500 -0.018 11451 7635 1 10 . 1 1 162 162 VAL H H 162 9.075 9.075 8.727 0.348 11451 7636 1 10 . 1 1 163 163 SER N N 163 123.979 123.979 123.524 0.455 11451 7637 1 10 . 1 1 163 163 SER HA H 163 4.601 4.601 4.727 -0.126 11451 7638 1 10 . 1 1 163 163 SER CA C 163 57.521 57.521 56.431 1.090 11451 7639 1 10 . 1 1 163 163 SER CB C 163 64.409 64.409 64.638 -0.229 11451 7640 1 10 . 1 1 163 163 SER H H 163 8.727 8.727 8.687 0.040 11451 7641 1 11 . 1 1 2 2 VAL N N 2 123.776 123.776 121.602 2.174 11451 7642 1 11 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.734 0.041 11451 7643 1 11 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.857 0.167 11451 7644 1 11 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.549 0.582 11451 7645 1 11 . 1 1 2 2 VAL H H 2 8.961 8.961 8.979 -0.018 11451 7646 1 11 . 1 1 3 3 THR N N 3 121.749 121.749 124.260 -2.511 11451 7647 1 11 . 1 1 3 3 THR HA H 3 5.053 5.053 4.863 0.190 11451 7648 1 11 . 1 1 3 3 THR CA C 3 61.176 61.176 61.890 -0.714 11451 7649 1 11 . 1 1 3 3 THR CB C 3 70.356 70.356 69.605 0.751 11451 7650 1 11 . 1 1 3 3 THR H H 3 8.912 8.912 9.111 -0.199 11451 7651 1 11 . 1 1 4 4 PHE N N 4 125.726 125.726 126.273 -0.547 11451 7652 1 11 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.973 -0.178 11451 7653 1 11 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.047 -1.036 11451 7654 1 11 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.291 -1.570 11451 7655 1 11 . 1 1 4 4 PHE H H 4 9.442 9.442 9.182 0.260 11451 7656 1 11 . 1 1 5 5 HIS N N 5 125.337 125.337 124.456 0.881 11451 7657 1 11 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.095 0.254 11451 7658 1 11 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.121 -0.813 11451 7659 1 11 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.214 -3.697 11451 7660 1 11 . 1 1 5 5 HIS H H 5 8.897 8.897 9.450 -0.553 11451 7661 1 11 . 1 1 6 6 THR N N 6 115.752 115.752 117.642 -1.890 11451 7662 1 11 . 1 1 6 6 THR HA H 6 6.126 6.126 5.130 0.996 11451 7663 1 11 . 1 1 6 6 THR CA C 6 60.220 60.220 59.534 0.686 11451 7664 1 11 . 1 1 6 6 THR CB C 6 72.515 72.515 71.593 0.922 11451 7665 1 11 . 1 1 6 6 THR H H 6 7.881 7.881 8.119 -0.238 11451 7666 1 11 . 1 1 7 7 ASN N N 7 119.451 119.451 123.901 -4.450 11451 7667 1 11 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.575 0.000 11451 7668 1 11 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.964 -0.471 11451 7669 1 11 . 1 1 7 7 ASN CB C 7 35.334 35.334 37.894 -2.560 11451 7670 1 11 . 1 1 7 7 ASN H H 7 9.334 9.334 8.998 0.336 11451 7671 1 11 . 1 1 8 8 HIS N N 8 118.490 118.490 116.982 1.508 11451 7672 1 11 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.758 -0.267 11451 7673 1 11 . 1 1 8 8 HIS CA C 8 56.790 56.790 57.036 -0.246 11451 7674 1 11 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.388 1.246 11451 7675 1 11 . 1 1 8 8 HIS H H 8 8.663 8.663 7.645 1.018 11451 7676 1 11 . 1 1 9 9 GLY N N 9 108.550 108.550 106.558 1.992 11451 7677 1 11 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.495 -0.895 11451 7678 1 11 . 1 1 9 9 GLY H H 9 7.320 7.320 7.624 -0.304 11451 7679 1 11 . 1 1 10 10 ASP N N 10 123.900 123.900 121.613 2.287 11451 7680 1 11 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.264 0.356 11451 7681 1 11 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.668 -0.358 11451 7682 1 11 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.875 -0.375 11451 7683 1 11 . 1 1 10 10 ASP H H 10 8.857 8.857 8.479 0.378 11451 7684 1 11 . 1 1 11 11 ILE N N 11 121.150 121.150 123.609 -2.459 11451 7685 1 11 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.535 -0.199 11451 7686 1 11 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.283 0.993 11451 7687 1 11 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.151 -0.492 11451 7688 1 11 . 1 1 11 11 ILE H H 11 8.638 8.638 8.785 -0.147 11451 7689 1 11 . 1 1 12 12 VAL N N 12 129.487 129.487 125.516 3.971 11451 7690 1 11 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.599 -0.068 11451 7691 1 11 . 1 1 12 12 VAL CA C 12 62.310 62.310 61.050 1.260 11451 7692 1 11 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.299 -2.057 11451 7693 1 11 . 1 1 12 12 VAL H H 12 8.771 8.771 8.896 -0.125 11451 7694 1 11 . 1 1 13 13 ILE N N 13 127.702 127.702 126.265 1.437 11451 7695 1 11 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.707 -0.037 11451 7696 1 11 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.463 0.275 11451 7697 1 11 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.487 0.072 11451 7698 1 11 . 1 1 13 13 ILE H H 13 9.527 9.527 9.002 0.525 11451 7699 1 11 . 1 1 14 14 LYS N N 14 126.574 126.574 126.329 0.245 11451 7700 1 11 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.471 0.306 11451 7701 1 11 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.485 -0.642 11451 7702 1 11 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.846 0.654 11451 7703 1 11 . 1 1 14 14 LYS H H 14 8.684 8.684 8.777 -0.093 11451 7704 1 11 . 1 1 15 15 THR N N 15 113.811 113.811 118.002 -4.191 11451 7705 1 11 . 1 1 15 15 THR HA H 15 4.130 4.130 4.217 -0.087 11451 7706 1 11 . 1 1 15 15 THR CA C 15 59.806 59.806 60.599 -0.793 11451 7707 1 11 . 1 1 15 15 THR CB C 15 69.319 69.319 69.615 -0.296 11451 7708 1 11 . 1 1 15 15 THR H H 15 8.343 8.343 8.472 -0.129 11451 7709 1 11 . 1 1 16 16 PHE N N 16 122.611 122.611 123.934 -1.323 11451 7710 1 11 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.725 0.550 11451 7711 1 11 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.636 -1.346 11451 7712 1 11 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.899 -0.529 11451 7713 1 11 . 1 1 16 16 PHE H H 16 8.315 8.315 8.825 -0.510 11451 7714 1 11 . 1 1 17 17 ASP N N 17 120.182 120.182 122.777 -2.595 11451 7715 1 11 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.549 -0.787 11451 7716 1 11 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.551 0.407 11451 7717 1 11 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.972 -2.023 11451 7718 1 11 . 1 1 17 17 ASP H H 17 9.106 9.106 8.085 1.021 11451 7719 1 11 . 1 1 18 18 ASP N N 18 111.686 111.686 118.212 -6.526 11451 7720 1 11 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.585 -0.210 11451 7721 1 11 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.153 -1.130 11451 7722 1 11 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.767 -1.004 11451 7723 1 11 . 1 1 18 18 ASP H H 18 8.584 8.584 8.777 -0.193 11451 7724 1 11 . 1 1 19 19 LYS N N 19 118.003 118.003 116.081 1.922 11451 7725 1 11 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.362 0.074 11451 7726 1 11 . 1 1 19 19 LYS CA C 19 55.387 55.387 56.076 -0.689 11451 7727 1 11 . 1 1 19 19 LYS CB C 19 33.867 33.867 32.977 0.890 11451 7728 1 11 . 1 1 19 19 LYS H H 19 7.333 7.333 8.085 -0.752 11451 7729 1 11 . 1 1 20 20 ALA N N 20 123.657 123.657 121.486 2.171 11451 7730 1 11 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.022 -0.404 11451 7731 1 11 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.979 -0.862 11451 7732 1 11 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.872 -0.637 11451 7733 1 11 . 1 1 20 20 ALA H H 20 7.560 7.560 8.158 -0.598 11451 7734 1 11 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.276 0.148 11451 7735 1 11 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.674 0.603 11451 7736 1 11 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.787 -0.279 11451 7737 1 11 . 1 1 22 22 GLU N N 22 122.557 122.557 118.531 4.026 11451 7738 1 11 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.170 -0.158 11451 7739 1 11 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.117 0.507 11451 7740 1 11 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.932 -0.452 11451 7741 1 11 . 1 1 22 22 GLU H H 22 9.855 9.855 8.085 1.770 11451 7742 1 11 . 1 1 23 23 THR N N 23 122.201 122.201 118.128 4.073 11451 7743 1 11 . 1 1 23 23 THR HA H 23 3.584 3.584 4.076 -0.492 11451 7744 1 11 . 1 1 23 23 THR CA C 23 66.554 66.554 67.353 -0.799 11451 7745 1 11 . 1 1 23 23 THR CB C 23 67.614 67.614 68.598 -0.984 11451 7746 1 11 . 1 1 23 23 THR H H 23 9.390 9.390 8.872 0.518 11451 7747 1 11 . 1 1 24 24 VAL N N 24 125.111 125.111 121.810 3.301 11451 7748 1 11 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.632 -0.147 11451 7749 1 11 . 1 1 24 24 VAL CA C 24 68.307 68.307 67.056 1.251 11451 7750 1 11 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.573 -0.684 11451 7751 1 11 . 1 1 24 24 VAL H H 24 9.359 9.359 8.489 0.870 11451 7752 1 11 . 1 1 25 25 LYS N N 25 121.050 121.050 120.185 0.865 11451 7753 1 11 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.983 -0.115 11451 7754 1 11 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.331 0.908 11451 7755 1 11 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.862 -0.165 11451 7756 1 11 . 1 1 25 25 LYS H H 25 7.686 7.686 8.370 -0.684 11451 7757 1 11 . 1 1 26 26 ASN N N 26 116.337 116.337 117.129 -0.792 11451 7758 1 11 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.492 -0.436 11451 7759 1 11 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.154 0.405 11451 7760 1 11 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.511 2.180 11451 7761 1 11 . 1 1 26 26 ASN H H 26 7.535 7.535 7.773 -0.238 11451 7762 1 11 . 1 1 27 27 PHE N N 27 119.858 119.858 121.805 -1.947 11451 7763 1 11 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.427 0.112 11451 7764 1 11 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.819 -0.886 11451 7765 1 11 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.225 0.606 11451 7766 1 11 . 1 1 27 27 PHE H H 27 7.867 7.867 7.858 0.009 11451 7767 1 11 . 1 1 28 28 LEU N N 28 120.761 120.761 119.699 1.062 11451 7768 1 11 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.970 -0.227 11451 7769 1 11 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.076 -0.208 11451 7770 1 11 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.438 -0.184 11451 7771 1 11 . 1 1 28 28 LEU H H 28 9.377 9.377 8.756 0.621 11451 7772 1 11 . 1 1 29 29 ASP N N 29 121.607 121.607 119.278 2.329 11451 7773 1 11 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.351 -0.056 11451 7774 1 11 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.635 0.194 11451 7775 1 11 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.397 -1.371 11451 7776 1 11 . 1 1 29 29 ASP H H 29 8.374 8.374 8.575 -0.201 11451 7777 1 11 . 1 1 30 30 TYR N N 30 118.959 118.959 119.563 -0.604 11451 7778 1 11 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.296 -0.291 11451 7779 1 11 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.364 0.383 11451 7780 1 11 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.204 -0.465 11451 7781 1 11 . 1 1 30 30 TYR H H 30 7.287 7.287 7.614 -0.327 11451 7782 1 11 . 1 1 31 31 CYS N N 31 116.202 116.202 119.081 -2.879 11451 7783 1 11 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.332 -0.298 11451 7784 1 11 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.390 1.013 11451 7785 1 11 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.436 -0.215 11451 7786 1 11 . 1 1 31 31 CYS H H 31 8.336 8.336 8.194 0.142 11451 7787 1 11 . 1 1 32 32 ARG N N 32 121.949 121.949 121.013 0.936 11451 7788 1 11 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.156 -0.294 11451 7789 1 11 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.888 0.831 11451 7790 1 11 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.083 0.291 11451 7791 1 11 . 1 1 32 32 ARG H H 32 9.077 9.077 8.259 0.818 11451 7792 1 11 . 1 1 33 33 GLU N N 33 116.667 116.667 116.741 -0.074 11451 7793 1 11 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.333 -0.146 11451 7794 1 11 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.590 -0.142 11451 7795 1 11 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.441 -0.183 11451 7796 1 11 . 1 1 33 33 GLU H H 33 7.920 7.920 7.887 0.033 11451 7797 1 11 . 1 1 34 34 GLY N N 34 107.273 107.273 106.429 0.844 11451 7798 1 11 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.217 0.181 11451 7799 1 11 . 1 1 34 34 GLY H H 34 7.533 7.533 7.575 -0.042 11451 7800 1 11 . 1 1 35 35 PHE N N 35 122.134 122.134 121.554 0.580 11451 7801 1 11 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.218 -0.553 11451 7802 1 11 . 1 1 35 35 PHE CA C 35 61.605 61.605 60.148 1.458 11451 7803 1 11 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.240 0.829 11451 7804 1 11 . 1 1 35 35 PHE H H 35 8.129 8.129 8.420 -0.291 11451 7805 1 11 . 1 1 36 36 TYR N N 36 111.250 111.250 115.300 -4.050 11451 7806 1 11 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.365 -0.041 11451 7807 1 11 . 1 1 36 36 TYR CA C 36 57.678 57.678 59.602 -1.924 11451 7808 1 11 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.198 -0.738 11451 7809 1 11 . 1 1 36 36 TYR H H 36 7.355 7.355 8.504 -1.149 11451 7810 1 11 . 1 1 37 37 ASN N N 37 121.890 121.890 117.972 3.918 11451 7811 1 11 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.667 -0.842 11451 7812 1 11 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.885 -0.706 11451 7813 1 11 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.585 -2.730 11451 7814 1 11 . 1 1 37 37 ASN H H 37 7.106 7.106 7.795 -0.689 11451 7815 1 11 . 1 1 38 38 ASN N N 38 121.572 121.572 116.116 5.456 11451 7816 1 11 . 1 1 38 38 ASN HA H 38 4.048 4.048 5.129 -1.081 11451 7817 1 11 . 1 1 38 38 ASN CA C 38 54.720 54.720 51.805 2.915 11451 7818 1 11 . 1 1 38 38 ASN CB C 38 38.538 38.538 39.323 -0.785 11451 7819 1 11 . 1 1 38 38 ASN H H 38 9.235 9.235 7.932 1.303 11451 7820 1 11 . 1 1 39 39 THR N N 39 104.540 104.540 111.554 -7.014 11451 7821 1 11 . 1 1 39 39 THR HA H 39 5.006 5.006 5.367 -0.361 11451 7822 1 11 . 1 1 39 39 THR CA C 39 59.979 59.979 59.314 0.665 11451 7823 1 11 . 1 1 39 39 THR CB C 39 72.789 72.789 71.705 1.084 11451 7824 1 11 . 1 1 39 39 THR H H 39 7.328 7.328 7.533 -0.205 11451 7825 1 11 . 1 1 40 40 ILE N N 40 108.904 108.904 114.656 -5.752 11451 7826 1 11 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.197 0.472 11451 7827 1 11 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.566 0.234 11451 7828 1 11 . 1 1 40 40 ILE CB C 40 39.724 39.724 42.029 -2.305 11451 7829 1 11 . 1 1 40 40 ILE H H 40 7.943 7.943 8.090 -0.147 11451 7830 1 11 . 1 1 41 41 PHE N N 41 122.068 122.068 120.517 1.551 11451 7831 1 11 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.885 0.075 11451 7832 1 11 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.939 0.878 11451 7833 1 11 . 1 1 41 41 PHE CB C 41 37.410 37.410 40.920 -3.510 11451 7834 1 11 . 1 1 41 41 PHE H H 41 8.289 8.289 8.440 -0.151 11451 7835 1 11 . 1 1 42 42 HIS N N 42 121.477 121.477 118.619 2.858 11451 7836 1 11 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.832 -0.556 11451 7837 1 11 . 1 1 42 42 HIS CA C 42 56.598 56.598 55.715 0.883 11451 7838 1 11 . 1 1 42 42 HIS CB C 42 31.663 31.663 31.292 0.371 11451 7839 1 11 . 1 1 42 42 HIS H H 42 7.862 7.862 8.637 -0.775 11451 7840 1 11 . 1 1 43 43 ARG N N 43 123.403 123.403 122.378 1.025 11451 7841 1 11 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.534 0.082 11451 7842 1 11 . 1 1 43 43 ARG CA C 43 55.318 55.318 55.422 -0.104 11451 7843 1 11 . 1 1 43 43 ARG CB C 43 32.275 32.275 30.445 1.830 11451 7844 1 11 . 1 1 43 43 ARG H H 43 6.933 6.933 6.943 -0.010 11451 7845 1 11 . 1 1 44 44 VAL N N 44 129.359 129.359 126.229 3.130 11451 7846 1 11 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.416 -0.276 11451 7847 1 11 . 1 1 44 44 VAL CA C 44 62.374 62.374 59.953 2.421 11451 7848 1 11 . 1 1 44 44 VAL CB C 44 35.191 35.191 34.247 0.944 11451 7849 1 11 . 1 1 44 44 VAL H H 44 9.023 9.023 8.112 0.911 11451 7850 1 11 . 1 1 45 45 ILE N N 45 126.532 126.532 127.878 -1.346 11451 7851 1 11 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.474 -0.238 11451 7852 1 11 . 1 1 45 45 ILE CA C 45 60.464 60.464 60.102 0.362 11451 7853 1 11 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.261 -2.311 11451 7854 1 11 . 1 1 45 45 ILE H H 45 8.243 8.243 8.525 -0.282 11451 7855 1 11 . 1 1 46 46 ASN N N 46 128.015 128.015 125.305 2.710 11451 7856 1 11 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.547 -0.386 11451 7857 1 11 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.421 -0.080 11451 7858 1 11 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.891 -2.217 11451 7859 1 11 . 1 1 46 46 ASN H H 46 9.127 9.127 8.663 0.464 11451 7860 1 11 . 1 1 47 47 GLY N N 47 110.314 110.314 108.347 1.967 11451 7861 1 11 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.450 0.180 11451 7862 1 11 . 1 1 47 47 GLY H H 47 7.542 7.542 8.919 -1.377 11451 7863 1 11 . 1 1 48 48 PHE N N 48 116.701 116.701 118.959 -2.258 11451 7864 1 11 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.838 0.304 11451 7865 1 11 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.066 1.434 11451 7866 1 11 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.085 -2.757 11451 7867 1 11 . 1 1 48 48 PHE H H 48 7.800 7.800 7.613 0.187 11451 7868 1 11 . 1 1 49 49 MET N N 49 117.710 117.710 117.529 0.181 11451 7869 1 11 . 1 1 49 49 MET HA H 49 5.027 5.027 4.545 0.482 11451 7870 1 11 . 1 1 49 49 MET CA C 49 55.009 55.009 53.286 1.722 11451 7871 1 11 . 1 1 49 49 MET CB C 49 35.120 35.120 33.250 1.870 11451 7872 1 11 . 1 1 49 49 MET H H 49 8.363 8.363 6.945 1.418 11451 7873 1 11 . 1 1 50 50 ILE N N 50 110.774 110.774 113.163 -2.389 11451 7874 1 11 . 1 1 50 50 ILE HA H 50 4.867 4.867 5.028 -0.161 11451 7875 1 11 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.060 0.675 11451 7876 1 11 . 1 1 50 50 ILE CB C 50 40.261 40.261 41.415 -1.154 11451 7877 1 11 . 1 1 50 50 ILE H H 50 7.749 7.749 7.719 0.030 11451 7878 1 11 . 1 1 51 51 GLN N N 51 127.997 127.997 124.168 3.829 11451 7879 1 11 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.023 0.178 11451 7880 1 11 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.821 0.231 11451 7881 1 11 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.892 -1.208 11451 7882 1 11 . 1 1 51 51 GLN H H 51 9.198 9.198 7.971 1.227 11451 7883 1 11 . 1 1 52 52 GLY N N 52 111.413 111.413 108.283 3.130 11451 7884 1 11 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.117 1.176 11451 7885 1 11 . 1 1 52 52 GLY H H 52 8.037 8.037 8.316 -0.279 11451 7886 1 11 . 1 1 53 53 GLY N N 53 106.177 106.177 105.897 0.280 11451 7887 1 11 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.119 -0.042 11451 7888 1 11 . 1 1 53 53 GLY H H 53 8.334 8.334 8.139 0.195 11451 7889 1 11 . 1 1 54 54 GLY N N 54 129.939 129.939 107.017 22.922 11451 7890 1 11 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.418 -0.006 11451 7891 1 11 . 1 1 54 54 GLY H H 54 9.068 9.068 8.500 0.568 11451 7892 1 11 . 1 1 55 55 PHE N N 55 121.195 121.195 116.465 4.730 11451 7893 1 11 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.035 -0.148 11451 7894 1 11 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.242 0.456 11451 7895 1 11 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.695 -0.849 11451 7896 1 11 . 1 1 55 55 PHE H H 55 9.329 9.329 7.409 1.920 11451 7897 1 11 . 1 1 56 56 GLU N N 56 120.126 120.126 119.875 0.251 11451 7898 1 11 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.103 -0.255 11451 7899 1 11 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.616 0.583 11451 7900 1 11 . 1 1 56 56 GLU CB C 56 29.452 29.452 29.922 -0.470 11451 7901 1 11 . 1 1 56 56 GLU H H 56 8.531 8.531 8.072 0.459 11451 7902 1 11 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.315 -0.325 11451 7903 1 11 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.504 0.359 11451 7904 1 11 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.576 -0.708 11451 7905 1 11 . 1 1 58 58 GLY N N 58 113.477 113.477 104.321 9.156 11451 7906 1 11 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.316 0.050 11451 7907 1 11 . 1 1 58 58 GLY H H 58 9.454 9.454 8.061 1.393 11451 7908 1 11 . 1 1 59 59 MET N N 59 114.007 114.007 116.120 -2.113 11451 7909 1 11 . 1 1 59 59 MET HA H 59 3.946 3.946 3.882 0.064 11451 7910 1 11 . 1 1 59 59 MET CA C 59 54.650 54.650 55.864 -1.214 11451 7911 1 11 . 1 1 59 59 MET CB C 59 25.875 25.875 29.048 -3.173 11451 7912 1 11 . 1 1 59 59 MET H H 59 8.027 8.027 7.940 0.087 11451 7913 1 11 . 1 1 60 60 LYS N N 60 120.420 120.420 120.539 -0.119 11451 7914 1 11 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.375 0.091 11451 7915 1 11 . 1 1 60 60 LYS CA C 60 54.958 54.958 56.011 -1.053 11451 7916 1 11 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.628 -0.318 11451 7917 1 11 . 1 1 60 60 LYS H H 60 6.996 6.996 7.729 -0.733 11451 7918 1 11 . 1 1 61 61 GLN N N 61 130.250 130.250 126.786 3.464 11451 7919 1 11 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.189 -0.803 11451 7920 1 11 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.199 0.580 11451 7921 1 11 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.319 -0.878 11451 7922 1 11 . 1 1 61 61 GLN H H 61 8.965 8.965 8.747 0.218 11451 7923 1 11 . 1 1 62 62 LYS N N 62 126.196 126.196 124.770 1.426 11451 7924 1 11 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.273 -0.143 11451 7925 1 11 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.787 0.903 11451 7926 1 11 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.584 0.188 11451 7927 1 11 . 1 1 62 62 LYS H H 62 7.323 7.323 8.083 -0.760 11451 7928 1 11 . 1 1 63 63 ALA N N 63 127.588 127.588 125.771 1.817 11451 7929 1 11 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.501 -0.217 11451 7930 1 11 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.444 1.201 11451 7931 1 11 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.427 0.946 11451 7932 1 11 . 1 1 63 63 ALA H H 63 8.458 8.458 8.728 -0.270 11451 7933 1 11 . 1 1 64 64 THR N N 64 111.370 111.370 115.103 -3.733 11451 7934 1 11 . 1 1 64 64 THR HA H 64 4.550 4.550 4.522 0.028 11451 7935 1 11 . 1 1 64 64 THR CA C 64 60.554 60.554 62.190 -1.636 11451 7936 1 11 . 1 1 64 64 THR CB C 64 71.700 71.700 69.416 2.284 11451 7937 1 11 . 1 1 64 64 THR H H 64 8.122 8.122 7.796 0.326 11451 7938 1 11 . 1 1 65 65 LYS N N 65 118.451 118.451 126.074 -7.623 11451 7939 1 11 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.501 -0.082 11451 7940 1 11 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.074 0.272 11451 7941 1 11 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.349 -2.867 11451 7942 1 11 . 1 1 65 65 LYS H H 65 7.879 7.879 8.196 -0.317 11451 7943 1 11 . 1 1 66 66 GLU N N 66 118.805 118.805 119.176 -0.371 11451 7944 1 11 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.127 0.030 11451 7945 1 11 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.225 -0.343 11451 7946 1 11 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.250 0.100 11451 7947 1 11 . 1 1 66 66 GLU H H 66 7.872 7.872 8.526 -0.654 11451 7948 1 11 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.446 0.408 11451 7949 1 11 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.370 -1.215 11451 7950 1 11 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.053 0.637 11451 7951 1 11 . 1 1 68 68 ILE N N 68 112.686 112.686 124.598 -11.912 11451 7952 1 11 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.329 0.108 11451 7953 1 11 . 1 1 68 68 ILE CA C 68 58.971 58.971 60.586 -1.615 11451 7954 1 11 . 1 1 68 68 ILE CB C 68 41.525 41.525 39.142 2.383 11451 7955 1 11 . 1 1 68 68 ILE H H 68 8.235 8.235 8.813 -0.578 11451 7956 1 11 . 1 1 69 69 LYS N N 69 121.199 121.199 123.686 -2.487 11451 7957 1 11 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.506 -0.565 11451 7958 1 11 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.533 -0.473 11451 7959 1 11 . 1 1 69 69 LYS CB C 69 32.140 32.140 33.193 -1.053 11451 7960 1 11 . 1 1 69 69 LYS H H 69 7.849 7.849 8.290 -0.441 11451 7961 1 11 . 1 1 70 70 ASN N N 70 126.585 126.585 119.910 6.675 11451 7962 1 11 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.799 -0.577 11451 7963 1 11 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.661 -0.333 11451 7964 1 11 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.926 -1.789 11451 7965 1 11 . 1 1 70 70 ASN H H 70 10.816 10.816 9.193 1.623 11451 7966 1 11 . 1 1 71 71 GLU N N 71 126.223 126.223 124.504 1.719 11451 7967 1 11 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.591 0.062 11451 7968 1 11 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.082 -0.485 11451 7969 1 11 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.816 -0.036 11451 7970 1 11 . 1 1 71 71 GLU H H 71 8.202 8.202 8.779 -0.577 11451 7971 1 11 . 1 1 72 72 ALA N N 72 120.736 120.736 121.993 -1.257 11451 7972 1 11 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.248 -0.016 11451 7973 1 11 . 1 1 72 72 ALA CA C 72 55.120 55.120 53.919 1.201 11451 7974 1 11 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.526 -1.020 11451 7975 1 11 . 1 1 72 72 ALA H H 72 9.149 9.149 8.173 0.976 11451 7976 1 11 . 1 1 73 73 ASN N N 73 114.744 114.744 117.698 -2.954 11451 7977 1 11 . 1 1 73 73 ASN HA H 73 3.181 3.181 3.298 -0.117 11451 7978 1 11 . 1 1 73 73 ASN CA C 73 52.331 52.331 51.899 0.432 11451 7979 1 11 . 1 1 73 73 ASN CB C 73 34.676 34.676 35.974 -1.298 11451 7980 1 11 . 1 1 73 73 ASN H H 73 7.892 7.892 8.169 -0.277 11451 7981 1 11 . 1 1 74 74 ASN N N 74 119.796 119.796 117.307 2.489 11451 7982 1 11 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.716 -0.337 11451 7983 1 11 . 1 1 74 74 ASN CA C 74 52.767 52.767 52.126 0.641 11451 7984 1 11 . 1 1 74 74 ASN CB C 74 38.415 38.415 39.514 -1.099 11451 7985 1 11 . 1 1 74 74 ASN H H 74 8.408 8.408 7.732 0.676 11451 7986 1 11 . 1 1 75 75 GLY N N 75 108.891 108.891 108.861 0.030 11451 7987 1 11 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.401 0.226 11451 7988 1 11 . 1 1 75 75 GLY H H 75 7.971 7.971 7.519 0.452 11451 7989 1 11 . 1 1 76 76 LEU N N 76 120.602 120.602 121.229 -0.627 11451 7990 1 11 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.422 -0.111 11451 7991 1 11 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.682 -0.083 11451 7992 1 11 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.852 -1.764 11451 7993 1 11 . 1 1 76 76 LEU H H 76 7.734 7.734 7.984 -0.250 11451 7994 1 11 . 1 1 77 77 LYS N N 77 121.982 121.982 118.459 3.523 11451 7995 1 11 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.727 -0.277 11451 7996 1 11 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.909 0.092 11451 7997 1 11 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.892 -1.192 11451 7998 1 11 . 1 1 77 77 LYS H H 77 8.161 8.161 8.240 -0.079 11451 7999 1 11 . 1 1 78 78 ASN N N 78 124.764 124.764 122.300 2.464 11451 8000 1 11 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.095 -0.428 11451 8001 1 11 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.056 1.258 11451 8002 1 11 . 1 1 78 78 ASN CB C 78 37.130 37.130 39.394 -2.264 11451 8003 1 11 . 1 1 78 78 ASN H H 78 9.564 9.564 9.273 0.291 11451 8004 1 11 . 1 1 79 79 THR N N 79 114.955 114.955 114.033 0.922 11451 8005 1 11 . 1 1 79 79 THR HA H 79 4.263 4.263 4.793 -0.530 11451 8006 1 11 . 1 1 79 79 THR CA C 79 60.774 60.774 60.160 0.614 11451 8007 1 11 . 1 1 79 79 THR CB C 79 70.347 70.347 72.065 -1.718 11451 8008 1 11 . 1 1 79 79 THR H H 79 8.190 8.190 8.396 -0.206 11451 8009 1 11 . 1 1 80 80 ARG N N 80 124.080 124.080 124.794 -0.714 11451 8010 1 11 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.887 -0.684 11451 8011 1 11 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.737 0.750 11451 8012 1 11 . 1 1 80 80 ARG CB C 80 28.909 28.909 30.057 -1.148 11451 8013 1 11 . 1 1 80 80 ARG H H 80 9.203 9.203 9.163 0.040 11451 8014 1 11 . 1 1 81 81 GLY N N 81 115.741 115.741 115.130 0.611 11451 8015 1 11 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.166 -0.095 11451 8016 1 11 . 1 1 81 81 GLY H H 81 8.976 8.976 9.248 -0.272 11451 8017 1 11 . 1 1 82 82 THR N N 82 110.362 110.362 111.593 -1.231 11451 8018 1 11 . 1 1 82 82 THR HA H 82 4.623 4.623 4.616 0.007 11451 8019 1 11 . 1 1 82 82 THR CA C 82 61.694 61.694 59.868 1.826 11451 8020 1 11 . 1 1 82 82 THR CB C 82 72.230 72.230 71.482 0.748 11451 8021 1 11 . 1 1 82 82 THR H H 82 8.070 8.070 7.629 0.441 11451 8022 1 11 . 1 1 83 83 LEU N N 83 121.341 121.341 122.821 -1.480 11451 8023 1 11 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.430 -0.211 11451 8024 1 11 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.892 0.458 11451 8025 1 11 . 1 1 83 83 LEU CB C 83 43.519 43.519 46.081 -2.562 11451 8026 1 11 . 1 1 83 83 LEU H H 83 7.918 7.918 8.275 -0.357 11451 8027 1 11 . 1 1 84 84 ALA N N 84 121.663 121.663 123.369 -1.706 11451 8028 1 11 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.243 0.274 11451 8029 1 11 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.875 -0.806 11451 8030 1 11 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.644 1.341 11451 8031 1 11 . 1 1 84 84 ALA H H 84 8.053 8.053 8.034 0.019 11451 8032 1 11 . 1 1 85 85 MET N N 85 115.338 115.338 119.024 -3.686 11451 8033 1 11 . 1 1 85 85 MET HA H 85 5.241 5.241 4.703 0.538 11451 8034 1 11 . 1 1 85 85 MET CA C 85 52.707 52.707 52.978 -0.271 11451 8035 1 11 . 1 1 85 85 MET CB C 85 29.801 29.801 32.160 -2.359 11451 8036 1 11 . 1 1 85 85 MET H H 85 7.539 7.539 8.122 -0.583 11451 8037 1 11 . 1 1 86 86 ALA N N 86 126.558 126.558 126.992 -0.434 11451 8038 1 11 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.753 -0.070 11451 8039 1 11 . 1 1 86 86 ALA CA C 86 51.207 51.207 52.273 -1.066 11451 8040 1 11 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.494 -1.078 11451 8041 1 11 . 1 1 86 86 ALA H H 86 8.287 8.287 8.742 -0.455 11451 8042 1 11 . 1 1 87 87 ARG N N 87 113.623 113.623 120.625 -7.002 11451 8043 1 11 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.921 -0.287 11451 8044 1 11 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.118 0.650 11451 8045 1 11 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.788 -3.066 11451 8046 1 11 . 1 1 87 87 ARG H H 87 8.031 8.031 8.635 -0.604 11451 8047 1 11 . 1 1 88 88 THR N N 88 111.627 111.627 114.870 -3.243 11451 8048 1 11 . 1 1 88 88 THR HA H 88 4.624 4.624 4.320 0.304 11451 8049 1 11 . 1 1 88 88 THR CA C 88 60.554 60.554 64.746 -4.192 11451 8050 1 11 . 1 1 88 88 THR CB C 88 68.430 68.430 69.630 -1.200 11451 8051 1 11 . 1 1 88 88 THR H H 88 7.892 7.892 8.401 -0.509 11451 8052 1 11 . 1 1 89 89 GLN N N 89 117.361 117.361 117.921 -0.560 11451 8053 1 11 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.422 -0.571 11451 8054 1 11 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.984 1.927 11451 8055 1 11 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.287 -1.917 11451 8056 1 11 . 1 1 89 89 GLN H H 89 8.188 8.188 8.310 -0.122 11451 8057 1 11 . 1 1 90 90 ALA N N 90 122.998 122.998 123.947 -0.949 11451 8058 1 11 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.439 -0.094 11451 8059 1 11 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.320 -0.594 11451 8060 1 11 . 1 1 90 90 ALA CB C 90 17.174 17.174 18.079 -0.905 11451 8061 1 11 . 1 1 90 90 ALA H H 90 7.962 7.962 8.208 -0.246 11451 8062 1 11 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.844 -0.376 11451 8063 1 11 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.445 0.992 11451 8064 1 11 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.038 -1.069 11451 8065 1 11 . 1 1 92 92 HIS N N 92 118.470 118.470 114.068 4.402 11451 8066 1 11 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.790 0.034 11451 8067 1 11 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.314 -1.113 11451 8068 1 11 . 1 1 92 92 HIS CB C 92 28.309 28.309 28.845 -0.536 11451 8069 1 11 . 1 1 92 92 HIS H H 92 7.977 7.977 7.990 -0.013 11451 8070 1 11 . 1 1 93 93 SER N N 93 108.425 108.425 114.836 -6.411 11451 8071 1 11 . 1 1 93 93 SER HA H 93 4.380 4.380 4.636 -0.256 11451 8072 1 11 . 1 1 93 93 SER CA C 93 57.696 57.696 57.643 0.053 11451 8073 1 11 . 1 1 93 93 SER CB C 93 65.924 65.924 63.604 2.320 11451 8074 1 11 . 1 1 93 93 SER H H 93 6.374 6.374 7.673 -1.299 11451 8075 1 11 . 1 1 94 94 ALA N N 94 130.109 130.109 125.182 4.927 11451 8076 1 11 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.243 -0.967 11451 8077 1 11 . 1 1 94 94 ALA CA C 94 54.173 54.173 50.894 3.279 11451 8078 1 11 . 1 1 94 94 ALA CB C 94 20.366 20.366 21.079 -0.713 11451 8079 1 11 . 1 1 94 94 ALA H H 94 8.543 8.543 7.257 1.286 11451 8080 1 11 . 1 1 95 95 THR N N 95 110.794 110.794 117.689 -6.895 11451 8081 1 11 . 1 1 95 95 THR HA H 95 4.722 4.722 4.507 0.215 11451 8082 1 11 . 1 1 95 95 THR CA C 95 59.725 59.725 63.557 -3.833 11451 8083 1 11 . 1 1 95 95 THR CB C 95 70.157 70.157 69.786 0.371 11451 8084 1 11 . 1 1 95 95 THR H H 95 8.925 8.925 8.548 0.377 11451 8085 1 11 . 1 1 96 96 ALA N N 96 121.615 121.615 121.196 0.419 11451 8086 1 11 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.893 -0.466 11451 8087 1 11 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.431 0.105 11451 8088 1 11 . 1 1 96 96 ALA CB C 96 23.216 23.216 20.180 3.036 11451 8089 1 11 . 1 1 96 96 ALA H H 96 7.954 7.954 8.282 -0.328 11451 8090 1 11 . 1 1 97 97 GLN N N 97 115.548 115.548 120.090 -4.542 11451 8091 1 11 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.773 -0.144 11451 8092 1 11 . 1 1 97 97 GLN CA C 97 57.388 57.388 56.274 1.114 11451 8093 1 11 . 1 1 97 97 GLN CB C 97 30.757 30.757 30.073 0.684 11451 8094 1 11 . 1 1 97 97 GLN H H 97 7.866 7.866 8.258 -0.392 11451 8095 1 11 . 1 1 98 98 PHE N N 98 117.593 117.593 118.707 -1.114 11451 8096 1 11 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.593 0.195 11451 8097 1 11 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.584 -0.930 11451 8098 1 11 . 1 1 98 98 PHE CB C 98 43.225 43.225 42.983 0.242 11451 8099 1 11 . 1 1 98 98 PHE H H 98 7.623 7.623 8.019 -0.396 11451 8100 1 11 . 1 1 99 99 PHE N N 99 116.226 116.226 114.390 1.836 11451 8101 1 11 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.319 0.413 11451 8102 1 11 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.569 -0.520 11451 8103 1 11 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.147 1.873 11451 8104 1 11 . 1 1 99 99 PHE H H 99 9.518 9.518 8.685 0.833 11451 8105 1 11 . 1 1 100 100 ILE N N 100 117.687 117.687 120.279 -2.592 11451 8106 1 11 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.831 -0.004 11451 8107 1 11 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.099 -0.750 11451 8108 1 11 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.689 -0.020 11451 8109 1 11 . 1 1 100 100 ILE H H 100 9.136 9.136 9.051 0.085 11451 8110 1 11 . 1 1 101 101 ASN N N 101 126.524 126.524 128.050 -1.526 11451 8111 1 11 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.832 -0.373 11451 8112 1 11 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.252 2.481 11451 8113 1 11 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.571 1.355 11451 8114 1 11 . 1 1 101 101 ASN H H 101 8.877 8.877 9.208 -0.331 11451 8115 1 11 . 1 1 102 102 VAL N N 102 117.660 117.660 117.883 -0.223 11451 8116 1 11 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.061 0.350 11451 8117 1 11 . 1 1 102 102 VAL CA C 102 61.907 61.907 62.921 -1.014 11451 8118 1 11 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.313 -1.943 11451 8119 1 11 . 1 1 102 102 VAL H H 102 7.700 7.700 7.925 -0.225 11451 8120 1 11 . 1 1 103 103 VAL N N 103 116.637 116.637 112.512 4.125 11451 8121 1 11 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.438 -0.085 11451 8122 1 11 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.645 1.014 11451 8123 1 11 . 1 1 103 103 VAL CB C 103 35.510 35.510 35.192 0.318 11451 8124 1 11 . 1 1 103 103 VAL H H 103 7.753 7.753 6.950 0.803 11451 8125 1 11 . 1 1 104 104 ASP N N 104 118.510 118.510 122.871 -4.361 11451 8126 1 11 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.682 -0.427 11451 8127 1 11 . 1 1 104 104 ASP CA C 104 55.500 55.500 54.886 0.614 11451 8128 1 11 . 1 1 104 104 ASP CB C 104 39.088 39.088 40.983 -1.895 11451 8129 1 11 . 1 1 104 104 ASP H H 104 8.171 8.171 8.479 -0.308 11451 8130 1 11 . 1 1 105 105 ASN N N 105 128.132 128.132 122.704 5.428 11451 8131 1 11 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.780 0.299 11451 8132 1 11 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.216 -0.687 11451 8133 1 11 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.075 0.060 11451 8134 1 11 . 1 1 105 105 ASN H H 105 8.352 8.352 8.120 0.232 11451 8135 1 11 . 1 1 106 106 ASP N N 106 121.636 121.636 121.214 0.422 11451 8136 1 11 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.596 -0.325 11451 8137 1 11 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.339 0.448 11451 8138 1 11 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.478 -0.673 11451 8139 1 11 . 1 1 106 106 ASP H H 106 8.203 8.203 8.851 -0.648 11451 8140 1 11 . 1 1 107 107 PHE N N 107 114.525 114.525 116.362 -1.837 11451 8141 1 11 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.454 0.044 11451 8142 1 11 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.124 -1.729 11451 8143 1 11 . 1 1 107 107 PHE CB C 107 36.780 36.780 37.731 -0.951 11451 8144 1 11 . 1 1 107 107 PHE H H 107 7.388 7.388 7.697 -0.309 11451 8145 1 11 . 1 1 108 108 LEU N N 108 121.576 121.576 118.496 3.080 11451 8146 1 11 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.497 -0.031 11451 8147 1 11 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.371 -0.893 11451 8148 1 11 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.295 0.804 11451 8149 1 11 . 1 1 108 108 LEU H H 108 7.163 7.163 7.407 -0.244 11451 8150 1 11 . 1 1 109 109 ASN N N 109 116.121 116.121 117.858 -1.737 11451 8151 1 11 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.935 0.214 11451 8152 1 11 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.163 -0.194 11451 8153 1 11 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.186 -1.067 11451 8154 1 11 . 1 1 109 109 ASN H H 109 7.312 7.312 7.691 -0.379 11451 8155 1 11 . 1 1 110 110 PHE N N 110 124.182 124.182 119.582 4.600 11451 8156 1 11 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.819 -0.567 11451 8157 1 11 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.041 0.014 11451 8158 1 11 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.314 -0.521 11451 8159 1 11 . 1 1 110 110 PHE H H 110 8.825 8.825 8.929 -0.104 11451 8160 1 11 . 1 1 111 111 SER N N 111 122.136 122.136 121.031 1.105 11451 8161 1 11 . 1 1 111 111 SER HA H 111 4.179 4.179 4.376 -0.197 11451 8162 1 11 . 1 1 111 111 SER CA C 111 57.521 57.521 57.822 -0.301 11451 8163 1 11 . 1 1 111 111 SER CB C 111 64.617 64.617 64.165 0.452 11451 8164 1 11 . 1 1 111 111 SER H H 111 9.456 9.456 8.259 1.197 11451 8165 1 11 . 1 1 112 112 GLY N N 112 110.435 110.435 107.494 2.941 11451 8166 1 11 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.907 0.471 11451 8167 1 11 . 1 1 112 112 GLY H H 112 5.514 5.514 6.849 -1.335 11451 8168 1 11 . 1 1 113 113 GLU N N 113 118.926 118.926 116.445 2.481 11451 8169 1 11 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.707 -1.060 11451 8170 1 11 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.465 -2.495 11451 8171 1 11 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.014 -2.351 11451 8172 1 11 . 1 1 113 113 GLU H H 113 7.862 7.862 7.792 0.070 11451 8173 1 11 . 1 1 114 114 SER N N 114 119.323 119.323 115.475 3.848 11451 8174 1 11 . 1 1 114 114 SER HA H 114 4.625 4.625 4.715 -0.090 11451 8175 1 11 . 1 1 114 114 SER CA C 114 56.279 56.279 56.334 -0.055 11451 8176 1 11 . 1 1 114 114 SER H H 114 7.621 7.621 7.885 -0.264 11451 8177 1 11 . 1 1 115 115 LEU N N 115 122.373 122.373 130.104 -7.731 11451 8178 1 11 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.024 0.093 11451 8179 1 11 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.823 1.137 11451 8180 1 11 . 1 1 115 115 LEU CB C 115 41.125 41.125 42.272 -1.147 11451 8181 1 11 . 1 1 115 115 LEU H H 115 8.745 8.745 9.153 -0.408 11451 8182 1 11 . 1 1 116 116 GLN N N 116 114.490 114.490 116.816 -2.326 11451 8183 1 11 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.237 0.025 11451 8184 1 11 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.920 0.207 11451 8185 1 11 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.104 0.093 11451 8186 1 11 . 1 1 116 116 GLN H H 116 8.292 8.292 8.442 -0.150 11451 8187 1 11 . 1 1 117 117 GLY N N 117 109.729 109.729 109.314 0.415 11451 8188 1 11 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.936 0.605 11451 8189 1 11 . 1 1 117 117 GLY H H 117 7.832 7.832 8.253 -0.421 11451 8190 1 11 . 1 1 118 118 TRP N N 118 123.807 123.807 123.524 0.283 11451 8191 1 11 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.856 -0.542 11451 8192 1 11 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.064 8.230 11451 8193 1 11 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.329 1.837 11451 8194 1 11 . 1 1 118 118 TRP H H 118 7.801 7.801 7.915 -0.114 11451 8195 1 11 . 1 1 119 119 GLY N N 119 124.815 124.815 112.141 12.674 11451 8196 1 11 . 1 1 119 119 GLY CA C 119 45.319 45.319 44.888 0.431 11451 8197 1 11 . 1 1 119 119 GLY H H 119 7.438 7.438 8.755 -1.317 11451 8198 1 11 . 1 1 120 120 TYR N N 120 119.720 119.720 118.427 1.293 11451 8199 1 11 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.038 0.164 11451 8200 1 11 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.159 0.160 11451 8201 1 11 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.197 -2.458 11451 8202 1 11 . 1 1 120 120 TYR H H 120 8.281 8.281 8.725 -0.444 11451 8203 1 11 . 1 1 121 121 CYS N N 121 126.117 126.117 122.671 3.446 11451 8204 1 11 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.695 -0.456 11451 8205 1 11 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.762 0.935 11451 8206 1 11 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.486 -0.476 11451 8207 1 11 . 1 1 121 121 CYS H H 121 9.818 9.818 9.287 0.531 11451 8208 1 11 . 1 1 122 122 VAL N N 122 106.168 106.168 130.370 -24.202 11451 8209 1 11 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.241 0.322 11451 8210 1 11 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.150 -0.500 11451 8211 1 11 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.720 0.759 11451 8212 1 11 . 1 1 122 122 VAL H H 122 9.382 9.382 8.995 0.387 11451 8213 1 11 . 1 1 123 123 PHE N N 123 118.398 118.398 125.477 -7.079 11451 8214 1 11 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.612 0.249 11451 8215 1 11 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.594 -2.655 11451 8216 1 11 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.567 2.073 11451 8217 1 11 . 1 1 123 123 PHE H H 123 7.842 7.842 8.331 -0.489 11451 8218 1 11 . 1 1 124 124 ALA N N 124 124.412 124.412 118.385 6.027 11451 8219 1 11 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.617 0.033 11451 8220 1 11 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.578 0.181 11451 8221 1 11 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.632 2.003 11451 8222 1 11 . 1 1 124 124 ALA H H 124 7.327 7.327 6.955 0.372 11451 8223 1 11 . 1 1 125 125 GLU N N 125 115.272 115.272 117.337 -2.065 11451 8224 1 11 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.620 0.151 11451 8225 1 11 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.196 0.455 11451 8226 1 11 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.517 -0.747 11451 8227 1 11 . 1 1 125 125 GLU H H 125 8.223 8.223 8.183 0.040 11451 8228 1 11 . 1 1 126 126 VAL N N 126 123.948 123.948 121.354 2.594 11451 8229 1 11 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.949 -0.040 11451 8230 1 11 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.790 -0.525 11451 8231 1 11 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.681 -0.871 11451 8232 1 11 . 1 1 126 126 VAL H H 126 8.786 8.786 8.193 0.593 11451 8233 1 11 . 1 1 127 127 VAL N N 127 123.644 123.644 126.957 -3.313 11451 8234 1 11 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.133 0.217 11451 8235 1 11 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.351 -1.857 11451 8236 1 11 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.940 -0.458 11451 8237 1 11 . 1 1 127 127 VAL H H 127 9.096 9.096 8.983 0.113 11451 8238 1 11 . 1 1 128 128 ASP N N 128 121.165 121.165 118.934 2.231 11451 8239 1 11 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.791 0.131 11451 8240 1 11 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.640 0.761 11451 8241 1 11 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.377 -1.327 11451 8242 1 11 . 1 1 128 128 ASP H H 128 7.719 7.719 7.719 0.000 11451 8243 1 11 . 1 1 129 129 GLY N N 129 110.821 110.821 107.800 3.021 11451 8244 1 11 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.594 0.167 11451 8245 1 11 . 1 1 129 129 GLY H H 129 8.276 8.276 8.909 -0.633 11451 8246 1 11 . 1 1 130 130 MET N N 130 122.991 122.991 119.341 3.650 11451 8247 1 11 . 1 1 130 130 MET HA H 130 4.468 4.468 4.098 0.370 11451 8248 1 11 . 1 1 130 130 MET CA C 130 55.953 55.953 58.448 -2.495 11451 8249 1 11 . 1 1 130 130 MET CB C 130 28.771 28.771 31.793 -3.022 11451 8250 1 11 . 1 1 130 130 MET H H 130 8.945 8.945 8.381 0.564 11451 8251 1 11 . 1 1 131 131 ASP N N 131 117.183 117.183 119.026 -1.843 11451 8252 1 11 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.465 -0.220 11451 8253 1 11 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.364 -0.725 11451 8254 1 11 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.294 -1.616 11451 8255 1 11 . 1 1 131 131 ASP H H 131 8.924 8.924 8.660 0.264 11451 8256 1 11 . 1 1 132 132 VAL N N 132 124.340 124.340 120.031 4.309 11451 8257 1 11 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.777 -0.338 11451 8258 1 11 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.330 0.685 11451 8259 1 11 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.332 -0.551 11451 8260 1 11 . 1 1 132 132 VAL H H 132 7.222 7.222 7.715 -0.493 11451 8261 1 11 . 1 1 133 133 VAL N N 133 121.730 121.730 120.803 0.927 11451 8262 1 11 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.408 -0.390 11451 8263 1 11 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.892 0.184 11451 8264 1 11 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.294 -0.474 11451 8265 1 11 . 1 1 133 133 VAL H H 133 7.367 7.367 7.867 -0.500 11451 8266 1 11 . 1 1 134 134 ASP N N 134 117.555 117.555 118.724 -1.169 11451 8267 1 11 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.370 -0.120 11451 8268 1 11 . 1 1 134 134 ASP CA C 134 56.263 56.263 57.094 -0.831 11451 8269 1 11 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.039 -1.227 11451 8270 1 11 . 1 1 134 134 ASP H H 134 8.411 8.411 8.066 0.345 11451 8271 1 11 . 1 1 135 135 LYS N N 135 122.646 122.646 118.914 3.732 11451 8272 1 11 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.129 -0.128 11451 8273 1 11 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.015 0.893 11451 8274 1 11 . 1 1 135 135 LYS CB C 135 32.010 32.010 31.956 0.054 11451 8275 1 11 . 1 1 135 135 LYS H H 135 7.418 7.418 7.104 0.314 11451 8276 1 11 . 1 1 136 136 ILE N N 136 121.613 121.613 118.089 3.524 11451 8277 1 11 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.407 -0.345 11451 8278 1 11 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.643 0.664 11451 8279 1 11 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.877 -0.578 11451 8280 1 11 . 1 1 136 136 ILE H H 136 8.075 8.075 8.291 -0.216 11451 8281 1 11 . 1 1 137 137 LYS N N 137 113.499 113.499 115.158 -1.659 11451 8282 1 11 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.243 -0.499 11451 8283 1 11 . 1 1 137 137 LYS CA C 137 57.888 57.888 56.940 0.949 11451 8284 1 11 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.536 -1.181 11451 8285 1 11 . 1 1 137 137 LYS H H 137 7.976 7.976 7.470 0.506 11451 8286 1 11 . 1 1 138 138 GLY N N 138 104.829 104.829 107.080 -2.251 11451 8287 1 11 . 1 1 138 138 GLY CA C 138 44.181 44.181 44.785 -0.604 11451 8288 1 11 . 1 1 138 138 GLY H H 138 6.858 6.858 7.609 -0.751 11451 8289 1 11 . 1 1 139 139 VAL N N 139 116.189 116.189 117.094 -0.905 11451 8290 1 11 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.864 0.219 11451 8291 1 11 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.495 -2.751 11451 8292 1 11 . 1 1 139 139 VAL CB C 139 32.850 32.850 32.133 0.717 11451 8293 1 11 . 1 1 139 139 VAL H H 139 7.220 7.220 7.680 -0.460 11451 8294 1 11 . 1 1 140 140 ALA N N 140 123.097 123.097 120.796 2.301 11451 8295 1 11 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.574 -0.292 11451 8296 1 11 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.018 0.832 11451 8297 1 11 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.369 -1.997 11451 8298 1 11 . 1 1 140 140 ALA H H 140 8.262 8.262 7.777 0.485 11451 8299 1 11 . 1 1 141 141 THR N N 141 113.326 113.326 113.568 -0.242 11451 8300 1 11 . 1 1 141 141 THR HA H 141 4.925 4.925 4.837 0.088 11451 8301 1 11 . 1 1 141 141 THR CA C 141 59.382 59.382 59.841 -0.459 11451 8302 1 11 . 1 1 141 141 THR CB C 141 73.286 73.286 70.948 2.338 11451 8303 1 11 . 1 1 141 141 THR H H 141 8.278 8.278 8.145 0.133 11451 8304 1 11 . 1 1 142 142 GLY N N 142 107.299 107.299 109.421 -2.122 11451 8305 1 11 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.383 -0.211 11451 8306 1 11 . 1 1 142 142 GLY H H 142 8.484 8.484 8.532 -0.048 11451 8307 1 11 . 1 1 143 143 ARG N N 143 120.230 120.230 121.489 -1.259 11451 8308 1 11 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.175 0.622 11451 8309 1 11 . 1 1 143 143 ARG CA C 143 55.200 55.200 57.196 -1.996 11451 8310 1 11 . 1 1 143 143 ARG CB C 143 31.351 31.351 31.136 0.215 11451 8311 1 11 . 1 1 143 143 ARG H H 143 8.185 8.185 8.520 -0.335 11451 8312 1 11 . 1 1 144 144 SER N N 144 119.429 119.429 119.559 -0.130 11451 8313 1 11 . 1 1 144 144 SER HA H 144 4.466 4.466 4.731 -0.265 11451 8314 1 11 . 1 1 144 144 SER CA C 144 56.856 56.856 56.972 -0.116 11451 8315 1 11 . 1 1 144 144 SER CB C 144 63.174 63.174 64.640 -1.466 11451 8316 1 11 . 1 1 144 144 SER H H 144 8.427 8.427 8.605 -0.178 11451 8317 1 11 . 1 1 145 145 GLY N N 145 117.736 117.736 111.506 6.230 11451 8318 1 11 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.608 0.078 11451 8319 1 11 . 1 1 145 145 GLY H H 145 8.902 8.902 8.900 0.002 11451 8320 1 11 . 1 1 146 146 MET N N 146 125.723 125.723 116.465 9.258 11451 8321 1 11 . 1 1 146 146 MET HA H 146 4.315 4.315 4.370 -0.055 11451 8322 1 11 . 1 1 146 146 MET CA C 146 55.431 55.431 55.515 -0.084 11451 8323 1 11 . 1 1 146 146 MET H H 146 8.827 8.827 7.544 1.283 11451 8324 1 11 . 1 1 147 147 HIS N N 147 121.581 121.581 116.811 4.770 11451 8325 1 11 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.814 -0.390 11451 8326 1 11 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.210 0.865 11451 8327 1 11 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.667 -1.074 11451 8328 1 11 . 1 1 147 147 HIS H H 147 8.010 8.010 7.455 0.555 11451 8329 1 11 . 1 1 148 148 GLN N N 148 121.305 121.305 122.085 -0.780 11451 8330 1 11 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.588 -0.118 11451 8331 1 11 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.115 -0.651 11451 8332 1 11 . 1 1 148 148 GLN CB C 148 31.691 31.691 31.270 0.421 11451 8333 1 11 . 1 1 148 148 GLN H H 148 8.681 8.681 8.762 -0.081 11451 8334 1 11 . 1 1 149 149 ASP N N 149 117.085 117.085 118.914 -1.829 11451 8335 1 11 . 1 1 149 149 ASP CB C 149 39.479 39.479 38.945 0.534 11451 8336 1 11 . 1 1 149 149 ASP H H 149 8.635 8.635 8.948 -0.313 11451 8337 1 11 . 1 1 150 150 VAL N N 150 120.313 120.313 112.123 8.190 11451 8338 1 11 . 1 1 150 150 VAL HA H 150 4.379 4.379 5.052 -0.673 11451 8339 1 11 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.205 0.963 11451 8340 1 11 . 1 1 150 150 VAL CB C 150 33.080 33.080 34.258 -1.178 11451 8341 1 11 . 1 1 150 150 VAL H H 150 8.470 8.470 7.639 0.831 11451 8342 1 11 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.675 -0.261 11451 8343 1 11 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.677 1.259 11451 8344 1 11 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.365 -0.189 11451 8345 1 11 . 1 1 152 152 LYS N N 152 125.675 125.675 121.584 4.091 11451 8346 1 11 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.215 -0.344 11451 8347 1 11 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.038 1.563 11451 8348 1 11 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.923 -1.138 11451 8349 1 11 . 1 1 152 152 LYS H H 152 8.169 8.169 8.172 -0.003 11451 8350 1 11 . 1 1 153 153 GLU N N 153 119.081 119.081 121.183 -2.102 11451 8351 1 11 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.331 0.064 11451 8352 1 11 . 1 1 153 153 GLU CA C 153 54.216 54.216 56.988 -2.772 11451 8353 1 11 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.379 0.359 11451 8354 1 11 . 1 1 153 153 GLU H H 153 7.960 7.960 7.722 0.238 11451 8355 1 11 . 1 1 154 154 ASP N N 154 121.884 121.884 123.607 -1.723 11451 8356 1 11 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.754 -0.522 11451 8357 1 11 . 1 1 154 154 ASP CA C 154 56.100 56.100 54.285 1.815 11451 8358 1 11 . 1 1 154 154 ASP CB C 154 40.540 40.540 42.184 -1.644 11451 8359 1 11 . 1 1 154 154 ASP H H 154 8.149 8.149 8.506 -0.357 11451 8360 1 11 . 1 1 155 155 VAL N N 155 129.777 129.777 124.434 5.343 11451 8361 1 11 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.896 -0.457 11451 8362 1 11 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.101 1.210 11451 8363 1 11 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.458 -0.989 11451 8364 1 11 . 1 1 155 155 VAL H H 155 10.043 10.043 8.877 1.166 11451 8365 1 11 . 1 1 156 156 ILE N N 156 125.807 125.807 123.876 1.931 11451 8366 1 11 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.239 -0.827 11451 8367 1 11 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.781 1.904 11451 8368 1 11 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.815 0.100 11451 8369 1 11 . 1 1 156 156 ILE H H 156 8.252 8.252 9.669 -1.417 11451 8370 1 11 . 1 1 157 157 ILE N N 157 126.581 126.581 125.973 0.608 11451 8371 1 11 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.321 -0.642 11451 8372 1 11 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.848 0.657 11451 8373 1 11 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.608 -0.236 11451 8374 1 11 . 1 1 157 157 ILE H H 157 9.168 9.168 9.048 0.120 11451 8375 1 11 . 1 1 158 158 GLU N N 158 130.185 130.185 128.018 2.167 11451 8376 1 11 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.255 -0.215 11451 8377 1 11 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.592 0.314 11451 8378 1 11 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.748 -0.750 11451 8379 1 11 . 1 1 158 158 GLU H H 158 8.910 8.910 8.769 0.141 11451 8380 1 11 . 1 1 159 159 SER N N 159 108.037 108.037 111.393 -3.356 11451 8381 1 11 . 1 1 159 159 SER HA H 159 4.399 4.399 4.659 -0.260 11451 8382 1 11 . 1 1 159 159 SER CA C 159 57.505 57.505 57.735 -0.230 11451 8383 1 11 . 1 1 159 159 SER CB C 159 64.403 64.403 64.736 -0.333 11451 8384 1 11 . 1 1 159 159 SER H H 159 7.772 7.772 8.028 -0.256 11451 8385 1 11 . 1 1 160 160 VAL N N 160 119.790 119.790 121.174 -1.384 11451 8386 1 11 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.341 -0.166 11451 8387 1 11 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.018 -0.453 11451 8388 1 11 . 1 1 160 160 VAL CB C 160 35.015 35.015 36.241 -1.226 11451 8389 1 11 . 1 1 160 160 VAL H H 160 7.681 7.681 8.605 -0.924 11451 8390 1 11 . 1 1 161 161 THR N N 161 122.628 122.628 122.742 -0.114 11451 8391 1 11 . 1 1 161 161 THR HA H 161 4.662 4.662 4.774 -0.112 11451 8392 1 11 . 1 1 161 161 THR CA C 161 61.452 61.452 61.390 0.062 11451 8393 1 11 . 1 1 161 161 THR CB C 161 70.781 70.781 71.304 -0.523 11451 8394 1 11 . 1 1 161 161 THR H H 161 8.817 8.817 9.393 -0.577 11451 8395 1 11 . 1 1 162 162 VAL N N 162 129.304 129.304 127.974 1.330 11451 8396 1 11 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.468 0.019 11451 8397 1 11 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.487 -0.730 11451 8398 1 11 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.016 0.466 11451 8399 1 11 . 1 1 162 162 VAL H H 162 9.075 9.075 8.657 0.418 11451 8400 1 11 . 1 1 163 163 SER N N 163 123.979 123.979 123.933 0.046 11451 8401 1 11 . 1 1 163 163 SER HA H 163 4.601 4.601 4.768 -0.167 11451 8402 1 11 . 1 1 163 163 SER CA C 163 57.521 57.521 56.794 0.727 11451 8403 1 11 . 1 1 163 163 SER CB C 163 64.409 64.409 64.656 -0.247 11451 8404 1 11 . 1 1 163 163 SER H H 163 8.727 8.727 8.741 -0.014 11451 8405 1 12 . 1 1 2 2 VAL N N 2 123.776 123.776 121.096 2.680 11451 8406 1 12 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.632 0.143 11451 8407 1 12 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.784 0.240 11451 8408 1 12 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.507 0.624 11451 8409 1 12 . 1 1 2 2 VAL H H 2 8.961 8.961 8.814 0.147 11451 8410 1 12 . 1 1 3 3 THR N N 3 121.749 121.749 123.685 -1.936 11451 8411 1 12 . 1 1 3 3 THR HA H 3 5.053 5.053 4.896 0.157 11451 8412 1 12 . 1 1 3 3 THR CA C 3 61.176 61.176 61.667 -0.491 11451 8413 1 12 . 1 1 3 3 THR CB C 3 70.356 70.356 69.398 0.958 11451 8414 1 12 . 1 1 3 3 THR H H 3 8.912 8.912 9.053 -0.141 11451 8415 1 12 . 1 1 4 4 PHE N N 4 125.726 125.726 126.576 -0.850 11451 8416 1 12 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.784 0.011 11451 8417 1 12 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.145 -1.133 11451 8418 1 12 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.085 -1.364 11451 8419 1 12 . 1 1 4 4 PHE H H 4 9.442 9.442 9.153 0.289 11451 8420 1 12 . 1 1 5 5 HIS N N 5 125.337 125.337 124.083 1.254 11451 8421 1 12 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.098 0.251 11451 8422 1 12 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.218 -0.910 11451 8423 1 12 . 1 1 5 5 HIS CB C 5 26.517 26.517 29.831 -3.314 11451 8424 1 12 . 1 1 5 5 HIS H H 5 8.897 8.897 9.396 -0.499 11451 8425 1 12 . 1 1 6 6 THR N N 6 115.752 115.752 117.045 -1.293 11451 8426 1 12 . 1 1 6 6 THR HA H 6 6.126 6.126 5.210 0.916 11451 8427 1 12 . 1 1 6 6 THR CA C 6 60.220 60.220 59.020 1.200 11451 8428 1 12 . 1 1 6 6 THR CB C 6 72.515 72.515 71.427 1.089 11451 8429 1 12 . 1 1 6 6 THR H H 6 7.881 7.881 8.211 -0.330 11451 8430 1 12 . 1 1 7 7 ASN N N 7 119.451 119.451 124.005 -4.554 11451 8431 1 12 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.551 0.024 11451 8432 1 12 . 1 1 7 7 ASN CA C 7 54.493 54.493 55.012 -0.519 11451 8433 1 12 . 1 1 7 7 ASN CB C 7 35.334 35.334 37.915 -2.581 11451 8434 1 12 . 1 1 7 7 ASN H H 7 9.334 9.334 9.100 0.234 11451 8435 1 12 . 1 1 8 8 HIS N N 8 118.490 118.490 117.028 1.462 11451 8436 1 12 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.761 -0.270 11451 8437 1 12 . 1 1 8 8 HIS CA C 8 56.790 56.790 56.889 -0.099 11451 8438 1 12 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.222 1.412 11451 8439 1 12 . 1 1 8 8 HIS H H 8 8.663 8.663 7.617 1.046 11451 8440 1 12 . 1 1 9 9 GLY N N 9 108.550 108.550 106.509 2.041 11451 8441 1 12 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.444 -0.844 11451 8442 1 12 . 1 1 9 9 GLY H H 9 7.320 7.320 7.645 -0.325 11451 8443 1 12 . 1 1 10 10 ASP N N 10 123.900 123.900 121.437 2.463 11451 8444 1 12 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.288 0.332 11451 8445 1 12 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.612 -0.302 11451 8446 1 12 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.861 -0.361 11451 8447 1 12 . 1 1 10 10 ASP H H 10 8.857 8.857 8.490 0.367 11451 8448 1 12 . 1 1 11 11 ILE N N 11 121.150 121.150 123.532 -2.382 11451 8449 1 12 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.606 -0.270 11451 8450 1 12 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.179 1.097 11451 8451 1 12 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.053 -0.394 11451 8452 1 12 . 1 1 11 11 ILE H H 11 8.638 8.638 8.828 -0.190 11451 8453 1 12 . 1 1 12 12 VAL N N 12 129.487 129.487 124.847 4.640 11451 8454 1 12 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.723 -0.192 11451 8455 1 12 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.683 1.627 11451 8456 1 12 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.717 -2.475 11451 8457 1 12 . 1 1 12 12 VAL H H 12 8.771 8.771 8.829 -0.058 11451 8458 1 12 . 1 1 13 13 ILE N N 13 127.702 127.702 126.028 1.674 11451 8459 1 12 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.793 -0.123 11451 8460 1 12 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.469 0.269 11451 8461 1 12 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.596 -0.037 11451 8462 1 12 . 1 1 13 13 ILE H H 13 9.527 9.527 8.991 0.536 11451 8463 1 12 . 1 1 14 14 LYS N N 14 126.574 126.574 126.221 0.353 11451 8464 1 12 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.573 0.204 11451 8465 1 12 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.392 -0.549 11451 8466 1 12 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.061 0.439 11451 8467 1 12 . 1 1 14 14 LYS H H 14 8.684 8.684 8.763 -0.079 11451 8468 1 12 . 1 1 15 15 THR N N 15 113.811 113.811 117.955 -4.144 11451 8469 1 12 . 1 1 15 15 THR HA H 15 4.130 4.130 4.214 -0.084 11451 8470 1 12 . 1 1 15 15 THR CA C 15 59.806 59.806 60.975 -1.169 11451 8471 1 12 . 1 1 15 15 THR CB C 15 69.319 69.319 69.549 -0.230 11451 8472 1 12 . 1 1 15 15 THR H H 15 8.343 8.343 8.465 -0.122 11451 8473 1 12 . 1 1 16 16 PHE N N 16 122.611 122.611 123.704 -1.093 11451 8474 1 12 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.753 0.522 11451 8475 1 12 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.578 -1.288 11451 8476 1 12 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.983 -0.613 11451 8477 1 12 . 1 1 16 16 PHE H H 16 8.315 8.315 8.825 -0.510 11451 8478 1 12 . 1 1 17 17 ASP N N 17 120.182 120.182 122.338 -2.156 11451 8479 1 12 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.557 -0.795 11451 8480 1 12 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.613 0.345 11451 8481 1 12 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.835 -1.886 11451 8482 1 12 . 1 1 17 17 ASP H H 17 9.106 9.106 8.078 1.028 11451 8483 1 12 . 1 1 18 18 ASP N N 18 111.686 111.686 116.915 -5.229 11451 8484 1 12 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.593 -0.218 11451 8485 1 12 . 1 1 18 18 ASP CA C 18 55.023 55.023 55.893 -0.870 11451 8486 1 12 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.917 -1.154 11451 8487 1 12 . 1 1 18 18 ASP H H 18 8.584 8.584 8.744 -0.160 11451 8488 1 12 . 1 1 19 19 LYS N N 19 118.003 118.003 116.606 1.397 11451 8489 1 12 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.472 -0.036 11451 8490 1 12 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.527 -0.140 11451 8491 1 12 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.972 -0.105 11451 8492 1 12 . 1 1 19 19 LYS H H 19 7.333 7.333 7.628 -0.295 11451 8493 1 12 . 1 1 20 20 ALA N N 20 123.657 123.657 121.649 2.008 11451 8494 1 12 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.057 -0.439 11451 8495 1 12 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.856 -0.739 11451 8496 1 12 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.843 -0.608 11451 8497 1 12 . 1 1 20 20 ALA H H 20 7.560 7.560 8.270 -0.710 11451 8498 1 12 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.277 0.147 11451 8499 1 12 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.642 0.635 11451 8500 1 12 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.921 -0.413 11451 8501 1 12 . 1 1 22 22 GLU N N 22 122.557 122.557 118.598 3.959 11451 8502 1 12 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.166 -0.154 11451 8503 1 12 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.114 0.510 11451 8504 1 12 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.081 -0.601 11451 8505 1 12 . 1 1 22 22 GLU H H 22 9.855 9.855 8.135 1.720 11451 8506 1 12 . 1 1 23 23 THR N N 23 122.201 122.201 118.360 3.841 11451 8507 1 12 . 1 1 23 23 THR HA H 23 3.584 3.584 4.018 -0.434 11451 8508 1 12 . 1 1 23 23 THR CA C 23 66.554 66.554 67.119 -0.565 11451 8509 1 12 . 1 1 23 23 THR CB C 23 67.614 67.614 68.925 -1.311 11451 8510 1 12 . 1 1 23 23 THR H H 23 9.390 9.390 8.700 0.690 11451 8511 1 12 . 1 1 24 24 VAL N N 24 125.111 125.111 121.342 3.769 11451 8512 1 12 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.818 -0.333 11451 8513 1 12 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.821 1.486 11451 8514 1 12 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.260 -0.371 11451 8515 1 12 . 1 1 24 24 VAL H H 24 9.359 9.359 8.458 0.901 11451 8516 1 12 . 1 1 25 25 LYS N N 25 121.050 121.050 120.634 0.416 11451 8517 1 12 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.947 -0.079 11451 8518 1 12 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.452 0.787 11451 8519 1 12 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.954 -0.257 11451 8520 1 12 . 1 1 25 25 LYS H H 25 7.686 7.686 8.489 -0.802 11451 8521 1 12 . 1 1 26 26 ASN N N 26 116.337 116.337 117.876 -1.539 11451 8522 1 12 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.405 -0.349 11451 8523 1 12 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.391 0.168 11451 8524 1 12 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.302 2.390 11451 8525 1 12 . 1 1 26 26 ASN H H 26 7.535 7.535 7.835 -0.300 11451 8526 1 12 . 1 1 27 27 PHE N N 27 119.858 119.858 121.918 -2.060 11451 8527 1 12 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.437 0.102 11451 8528 1 12 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.261 -0.328 11451 8529 1 12 . 1 1 27 27 PHE CB C 27 39.831 39.831 38.960 0.871 11451 8530 1 12 . 1 1 27 27 PHE H H 27 7.867 7.867 8.237 -0.370 11451 8531 1 12 . 1 1 28 28 LEU N N 28 120.761 120.761 119.375 1.386 11451 8532 1 12 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.762 -0.019 11451 8533 1 12 . 1 1 28 28 LEU CA C 28 57.868 57.868 57.941 -0.073 11451 8534 1 12 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.348 -0.094 11451 8535 1 12 . 1 1 28 28 LEU H H 28 9.377 9.377 8.685 0.692 11451 8536 1 12 . 1 1 29 29 ASP N N 29 121.607 121.607 120.599 1.008 11451 8537 1 12 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.339 -0.044 11451 8538 1 12 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.676 0.152 11451 8539 1 12 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.338 -1.312 11451 8540 1 12 . 1 1 29 29 ASP H H 29 8.374 8.374 8.621 -0.247 11451 8541 1 12 . 1 1 30 30 TYR N N 30 118.959 118.959 119.569 -0.610 11451 8542 1 12 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.342 -0.337 11451 8543 1 12 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.487 0.260 11451 8544 1 12 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.389 -0.650 11451 8545 1 12 . 1 1 30 30 TYR H H 30 7.287 7.287 7.933 -0.646 11451 8546 1 12 . 1 1 31 31 CYS N N 31 116.202 116.202 119.117 -2.915 11451 8547 1 12 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.298 -0.264 11451 8548 1 12 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.433 0.970 11451 8549 1 12 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.348 -0.127 11451 8550 1 12 . 1 1 31 31 CYS H H 31 8.336 8.336 8.329 0.007 11451 8551 1 12 . 1 1 32 32 ARG N N 32 121.949 121.949 120.698 1.251 11451 8552 1 12 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.101 -0.239 11451 8553 1 12 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.653 1.066 11451 8554 1 12 . 1 1 32 32 ARG CB C 32 30.374 30.374 29.894 0.480 11451 8555 1 12 . 1 1 32 32 ARG H H 32 9.077 9.077 8.306 0.771 11451 8556 1 12 . 1 1 33 33 GLU N N 33 116.667 116.667 116.888 -0.221 11451 8557 1 12 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.376 -0.189 11451 8558 1 12 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.403 0.045 11451 8559 1 12 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.900 -0.642 11451 8560 1 12 . 1 1 33 33 GLU H H 33 7.920 7.920 7.713 0.207 11451 8561 1 12 . 1 1 34 34 GLY N N 34 107.273 107.273 106.565 0.708 11451 8562 1 12 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.257 0.141 11451 8563 1 12 . 1 1 34 34 GLY H H 34 7.533 7.533 7.610 -0.077 11451 8564 1 12 . 1 1 35 35 PHE N N 35 122.134 122.134 121.471 0.663 11451 8565 1 12 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.305 -0.640 11451 8566 1 12 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.803 1.802 11451 8567 1 12 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.359 0.711 11451 8568 1 12 . 1 1 35 35 PHE H H 35 8.129 8.129 8.479 -0.350 11451 8569 1 12 . 1 1 36 36 TYR N N 36 111.250 111.250 116.051 -4.801 11451 8570 1 12 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.376 -0.052 11451 8571 1 12 . 1 1 36 36 TYR CA C 36 57.678 57.678 59.893 -2.215 11451 8572 1 12 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.232 -0.772 11451 8573 1 12 . 1 1 36 36 TYR H H 36 7.355 7.355 8.549 -1.194 11451 8574 1 12 . 1 1 37 37 ASN N N 37 121.890 121.890 117.436 4.454 11451 8575 1 12 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.694 -0.869 11451 8576 1 12 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.580 -0.401 11451 8577 1 12 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.462 -2.607 11451 8578 1 12 . 1 1 37 37 ASN H H 37 7.106 7.106 7.719 -0.613 11451 8579 1 12 . 1 1 38 38 ASN N N 38 121.572 121.572 116.342 5.230 11451 8580 1 12 . 1 1 38 38 ASN HA H 38 4.048 4.048 5.100 -1.052 11451 8581 1 12 . 1 1 38 38 ASN CA C 38 54.720 54.720 52.023 2.697 11451 8582 1 12 . 1 1 38 38 ASN CB C 38 38.538 38.538 39.527 -0.989 11451 8583 1 12 . 1 1 38 38 ASN H H 38 9.235 9.235 7.864 1.371 11451 8584 1 12 . 1 1 39 39 THR N N 39 104.540 104.540 111.880 -7.340 11451 8585 1 12 . 1 1 39 39 THR HA H 39 5.006 5.006 5.339 -0.333 11451 8586 1 12 . 1 1 39 39 THR CA C 39 59.979 59.979 59.462 0.517 11451 8587 1 12 . 1 1 39 39 THR CB C 39 72.789 72.789 71.341 1.448 11451 8588 1 12 . 1 1 39 39 THR H H 39 7.328 7.328 7.550 -0.222 11451 8589 1 12 . 1 1 40 40 ILE N N 40 108.904 108.904 114.355 -5.451 11451 8590 1 12 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.190 0.479 11451 8591 1 12 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.649 0.151 11451 8592 1 12 . 1 1 40 40 ILE CB C 40 39.724 39.724 42.141 -2.417 11451 8593 1 12 . 1 1 40 40 ILE H H 40 7.943 7.943 8.072 -0.129 11451 8594 1 12 . 1 1 41 41 PHE N N 41 122.068 122.068 121.064 1.004 11451 8595 1 12 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.751 0.209 11451 8596 1 12 . 1 1 41 41 PHE CA C 41 58.817 58.817 58.322 0.496 11451 8597 1 12 . 1 1 41 41 PHE CB C 41 37.410 37.410 39.066 -1.656 11451 8598 1 12 . 1 1 41 41 PHE H H 41 8.289 8.289 8.658 -0.369 11451 8599 1 12 . 1 1 42 42 HIS N N 42 121.477 121.477 123.224 -1.747 11451 8600 1 12 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.552 -0.276 11451 8601 1 12 . 1 1 42 42 HIS CA C 42 56.598 56.598 57.799 -1.201 11451 8602 1 12 . 1 1 42 42 HIS CB C 42 31.663 31.663 32.020 -0.357 11451 8603 1 12 . 1 1 42 42 HIS H H 42 7.862 7.862 8.622 -0.760 11451 8604 1 12 . 1 1 43 43 ARG N N 43 123.403 123.403 117.041 6.362 11451 8605 1 12 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.573 0.043 11451 8606 1 12 . 1 1 43 43 ARG CA C 43 55.318 55.318 55.121 0.197 11451 8607 1 12 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.768 -1.493 11451 8608 1 12 . 1 1 43 43 ARG H H 43 6.933 6.933 7.653 -0.720 11451 8609 1 12 . 1 1 44 44 VAL N N 44 129.359 129.359 123.006 6.353 11451 8610 1 12 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.534 -0.394 11451 8611 1 12 . 1 1 44 44 VAL CA C 44 62.374 62.374 61.246 1.127 11451 8612 1 12 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.099 0.092 11451 8613 1 12 . 1 1 44 44 VAL H H 44 9.023 9.023 8.402 0.621 11451 8614 1 12 . 1 1 45 45 ILE N N 45 126.532 126.532 128.067 -1.535 11451 8615 1 12 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.444 -0.208 11451 8616 1 12 . 1 1 45 45 ILE CA C 45 60.464 60.464 60.312 0.152 11451 8617 1 12 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.001 -2.051 11451 8618 1 12 . 1 1 45 45 ILE H H 45 8.243 8.243 8.173 0.070 11451 8619 1 12 . 1 1 46 46 ASN N N 46 128.015 128.015 127.087 0.928 11451 8620 1 12 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.567 -0.406 11451 8621 1 12 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.090 0.251 11451 8622 1 12 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.654 -1.980 11451 8623 1 12 . 1 1 46 46 ASN H H 46 9.127 9.127 8.716 0.411 11451 8624 1 12 . 1 1 47 47 GLY N N 47 110.314 110.314 107.228 3.086 11451 8625 1 12 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.527 0.103 11451 8626 1 12 . 1 1 47 47 GLY H H 47 7.542 7.542 8.862 -1.320 11451 8627 1 12 . 1 1 48 48 PHE N N 48 116.701 116.701 118.813 -2.112 11451 8628 1 12 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.829 0.313 11451 8629 1 12 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.247 1.253 11451 8630 1 12 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.179 -2.851 11451 8631 1 12 . 1 1 48 48 PHE H H 48 7.800 7.800 7.752 0.048 11451 8632 1 12 . 1 1 49 49 MET N N 49 117.710 117.710 117.727 -0.017 11451 8633 1 12 . 1 1 49 49 MET HA H 49 5.027 5.027 4.568 0.459 11451 8634 1 12 . 1 1 49 49 MET CA C 49 55.009 55.009 53.193 1.816 11451 8635 1 12 . 1 1 49 49 MET CB C 49 35.120 35.120 33.544 1.576 11451 8636 1 12 . 1 1 49 49 MET H H 49 8.363 8.363 6.952 1.411 11451 8637 1 12 . 1 1 50 50 ILE N N 50 110.774 110.774 113.070 -2.296 11451 8638 1 12 . 1 1 50 50 ILE HA H 50 4.867 4.867 5.028 -0.161 11451 8639 1 12 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.365 0.370 11451 8640 1 12 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.966 -0.705 11451 8641 1 12 . 1 1 50 50 ILE H H 50 7.749 7.749 7.747 0.002 11451 8642 1 12 . 1 1 51 51 GLN N N 51 127.997 127.997 125.290 2.707 11451 8643 1 12 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.036 0.165 11451 8644 1 12 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.869 0.183 11451 8645 1 12 . 1 1 51 51 GLN CB C 51 31.684 31.684 33.098 -1.414 11451 8646 1 12 . 1 1 51 51 GLN H H 51 9.198 9.198 8.525 0.673 11451 8647 1 12 . 1 1 52 52 GLY N N 52 111.413 111.413 108.049 3.364 11451 8648 1 12 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.288 1.005 11451 8649 1 12 . 1 1 52 52 GLY H H 52 8.037 8.037 8.500 -0.463 11451 8650 1 12 . 1 1 53 53 GLY N N 53 106.177 106.177 106.049 0.128 11451 8651 1 12 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.262 -0.185 11451 8652 1 12 . 1 1 53 53 GLY H H 53 8.334 8.334 8.295 0.039 11451 8653 1 12 . 1 1 54 54 GLY N N 54 129.939 129.939 106.960 22.979 11451 8654 1 12 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.337 0.075 11451 8655 1 12 . 1 1 54 54 GLY H H 54 9.068 9.068 8.495 0.573 11451 8656 1 12 . 1 1 55 55 PHE N N 55 121.195 121.195 116.510 4.685 11451 8657 1 12 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.864 0.023 11451 8658 1 12 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.262 0.436 11451 8659 1 12 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.547 -0.701 11451 8660 1 12 . 1 1 55 55 PHE H H 55 9.329 9.329 7.329 2.000 11451 8661 1 12 . 1 1 56 56 GLU N N 56 120.126 120.126 119.618 0.508 11451 8662 1 12 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.149 -0.301 11451 8663 1 12 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.372 0.827 11451 8664 1 12 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.135 -0.683 11451 8665 1 12 . 1 1 56 56 GLU H H 56 8.531 8.531 8.073 0.458 11451 8666 1 12 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.333 -0.343 11451 8667 1 12 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.504 0.359 11451 8668 1 12 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.665 -0.797 11451 8669 1 12 . 1 1 58 58 GLY N N 58 113.477 113.477 104.578 8.899 11451 8670 1 12 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.317 0.049 11451 8671 1 12 . 1 1 58 58 GLY H H 58 9.454 9.454 8.031 1.423 11451 8672 1 12 . 1 1 59 59 MET N N 59 114.007 114.007 116.884 -2.877 11451 8673 1 12 . 1 1 59 59 MET HA H 59 3.946 3.946 3.873 0.073 11451 8674 1 12 . 1 1 59 59 MET CA C 59 54.650 54.650 55.586 -0.935 11451 8675 1 12 . 1 1 59 59 MET CB C 59 25.875 25.875 28.998 -3.123 11451 8676 1 12 . 1 1 59 59 MET H H 59 8.027 8.027 7.922 0.105 11451 8677 1 12 . 1 1 60 60 LYS N N 60 120.420 120.420 120.599 -0.179 11451 8678 1 12 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.504 -0.038 11451 8679 1 12 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.628 -0.670 11451 8680 1 12 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.045 -0.735 11451 8681 1 12 . 1 1 60 60 LYS H H 60 6.996 6.996 7.692 -0.696 11451 8682 1 12 . 1 1 61 61 GLN N N 61 130.250 130.250 126.754 3.496 11451 8683 1 12 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.291 -0.905 11451 8684 1 12 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.266 0.513 11451 8685 1 12 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.432 -0.991 11451 8686 1 12 . 1 1 61 61 GLN H H 61 8.965 8.965 8.748 0.217 11451 8687 1 12 . 1 1 62 62 LYS N N 62 126.196 126.196 124.987 1.209 11451 8688 1 12 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.301 -0.171 11451 8689 1 12 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.821 0.869 11451 8690 1 12 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.533 0.239 11451 8691 1 12 . 1 1 62 62 LYS H H 62 7.323 7.323 8.141 -0.818 11451 8692 1 12 . 1 1 63 63 ALA N N 63 127.588 127.588 125.375 2.213 11451 8693 1 12 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.454 -0.170 11451 8694 1 12 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.684 0.961 11451 8695 1 12 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.076 1.297 11451 8696 1 12 . 1 1 63 63 ALA H H 63 8.458 8.458 8.800 -0.342 11451 8697 1 12 . 1 1 64 64 THR N N 64 111.370 111.370 115.191 -3.821 11451 8698 1 12 . 1 1 64 64 THR HA H 64 4.550 4.550 4.449 0.101 11451 8699 1 12 . 1 1 64 64 THR CA C 64 60.554 60.554 62.314 -1.760 11451 8700 1 12 . 1 1 64 64 THR CB C 64 71.700 71.700 69.407 2.293 11451 8701 1 12 . 1 1 64 64 THR H H 64 8.122 8.122 7.911 0.211 11451 8702 1 12 . 1 1 65 65 LYS N N 65 118.451 118.451 126.370 -7.919 11451 8703 1 12 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.483 -0.064 11451 8704 1 12 . 1 1 65 65 LYS CA C 65 55.346 55.346 54.938 0.408 11451 8705 1 12 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.281 -2.799 11451 8706 1 12 . 1 1 65 65 LYS H H 65 7.879 7.879 8.446 -0.567 11451 8707 1 12 . 1 1 66 66 GLU N N 66 118.805 118.805 118.953 -0.148 11451 8708 1 12 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.119 0.038 11451 8709 1 12 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.277 -0.395 11451 8710 1 12 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.211 0.139 11451 8711 1 12 . 1 1 66 66 GLU H H 66 7.872 7.872 8.538 -0.666 11451 8712 1 12 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.512 0.342 11451 8713 1 12 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.256 -1.101 11451 8714 1 12 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.241 0.449 11451 8715 1 12 . 1 1 68 68 ILE N N 68 112.686 112.686 122.970 -10.284 11451 8716 1 12 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.424 0.013 11451 8717 1 12 . 1 1 68 68 ILE CA C 68 58.971 58.971 60.083 -1.111 11451 8718 1 12 . 1 1 68 68 ILE CB C 68 41.525 41.525 39.629 1.896 11451 8719 1 12 . 1 1 68 68 ILE H H 68 8.235 8.235 8.840 -0.605 11451 8720 1 12 . 1 1 69 69 LYS N N 69 121.199 121.199 123.453 -2.254 11451 8721 1 12 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.636 -0.695 11451 8722 1 12 . 1 1 69 69 LYS CA C 69 55.060 55.060 54.890 0.170 11451 8723 1 12 . 1 1 69 69 LYS CB C 69 32.140 32.140 33.257 -1.117 11451 8724 1 12 . 1 1 69 69 LYS H H 69 7.849 7.849 8.285 -0.436 11451 8725 1 12 . 1 1 70 70 ASN N N 70 126.585 126.585 120.084 6.501 11451 8726 1 12 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.720 -0.498 11451 8727 1 12 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.942 -0.614 11451 8728 1 12 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.617 -1.480 11451 8729 1 12 . 1 1 70 70 ASN H H 70 10.816 10.816 9.017 1.799 11451 8730 1 12 . 1 1 71 71 GLU N N 71 126.223 126.223 124.776 1.447 11451 8731 1 12 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.570 0.083 11451 8732 1 12 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.675 -1.078 11451 8733 1 12 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.595 0.185 11451 8734 1 12 . 1 1 71 71 GLU H H 71 8.202 8.202 8.848 -0.646 11451 8735 1 12 . 1 1 72 72 ALA N N 72 120.736 120.736 123.290 -2.554 11451 8736 1 12 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.201 0.031 11451 8737 1 12 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.489 0.631 11451 8738 1 12 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.003 -0.496 11451 8739 1 12 . 1 1 72 72 ALA H H 72 9.149 9.149 8.399 0.750 11451 8740 1 12 . 1 1 73 73 ASN N N 73 114.744 114.744 116.149 -1.405 11451 8741 1 12 . 1 1 73 73 ASN HA H 73 3.181 3.181 3.013 0.168 11451 8742 1 12 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.897 -1.566 11451 8743 1 12 . 1 1 73 73 ASN CB C 73 34.676 34.676 37.466 -2.790 11451 8744 1 12 . 1 1 73 73 ASN H H 73 7.892 7.892 8.369 -0.477 11451 8745 1 12 . 1 1 74 74 ASN N N 74 119.796 119.796 117.907 1.889 11451 8746 1 12 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.531 -0.152 11451 8747 1 12 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.184 -0.417 11451 8748 1 12 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.198 0.217 11451 8749 1 12 . 1 1 74 74 ASN H H 74 8.408 8.408 7.522 0.886 11451 8750 1 12 . 1 1 75 75 GLY N N 75 108.891 108.891 107.849 1.042 11451 8751 1 12 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.417 0.210 11451 8752 1 12 . 1 1 75 75 GLY H H 75 7.971 7.971 7.845 0.126 11451 8753 1 12 . 1 1 76 76 LEU N N 76 120.602 120.602 120.676 -0.074 11451 8754 1 12 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.277 0.034 11451 8755 1 12 . 1 1 76 76 LEU CA C 76 54.599 54.599 55.120 -0.521 11451 8756 1 12 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.480 -1.392 11451 8757 1 12 . 1 1 76 76 LEU H H 76 7.734 7.734 8.120 -0.386 11451 8758 1 12 . 1 1 77 77 LYS N N 77 121.982 121.982 119.289 2.693 11451 8759 1 12 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.775 -0.325 11451 8760 1 12 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.820 0.181 11451 8761 1 12 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.649 -0.949 11451 8762 1 12 . 1 1 77 77 LYS H H 77 8.161 8.161 8.194 -0.033 11451 8763 1 12 . 1 1 78 78 ASN N N 78 124.764 124.764 123.257 1.507 11451 8764 1 12 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.022 -0.355 11451 8765 1 12 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.165 1.149 11451 8766 1 12 . 1 1 78 78 ASN CB C 78 37.130 37.130 39.133 -2.003 11451 8767 1 12 . 1 1 78 78 ASN H H 78 9.564 9.564 9.375 0.189 11451 8768 1 12 . 1 1 79 79 THR N N 79 114.955 114.955 114.602 0.353 11451 8769 1 12 . 1 1 79 79 THR HA H 79 4.263 4.263 4.846 -0.583 11451 8770 1 12 . 1 1 79 79 THR CA C 79 60.774 60.774 60.187 0.587 11451 8771 1 12 . 1 1 79 79 THR CB C 79 70.347 70.347 71.887 -1.540 11451 8772 1 12 . 1 1 79 79 THR H H 79 8.190 8.190 8.002 0.188 11451 8773 1 12 . 1 1 80 80 ARG N N 80 124.080 124.080 123.082 0.998 11451 8774 1 12 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.090 -0.887 11451 8775 1 12 . 1 1 80 80 ARG CA C 80 58.487 58.487 55.742 2.745 11451 8776 1 12 . 1 1 80 80 ARG CB C 80 28.909 28.909 28.893 0.016 11451 8777 1 12 . 1 1 80 80 ARG H H 80 9.203 9.203 9.267 -0.064 11451 8778 1 12 . 1 1 81 81 GLY N N 81 115.741 115.741 115.507 0.234 11451 8779 1 12 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.127 -0.056 11451 8780 1 12 . 1 1 81 81 GLY H H 81 8.976 8.976 9.175 -0.199 11451 8781 1 12 . 1 1 82 82 THR N N 82 110.362 110.362 110.727 -0.365 11451 8782 1 12 . 1 1 82 82 THR HA H 82 4.623 4.623 4.650 -0.027 11451 8783 1 12 . 1 1 82 82 THR CA C 82 61.694 61.694 59.710 1.984 11451 8784 1 12 . 1 1 82 82 THR CB C 82 72.230 72.230 71.845 0.385 11451 8785 1 12 . 1 1 82 82 THR H H 82 8.070 8.070 7.415 0.655 11451 8786 1 12 . 1 1 83 83 LEU N N 83 121.341 121.341 121.897 -0.556 11451 8787 1 12 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.302 -0.083 11451 8788 1 12 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.858 0.492 11451 8789 1 12 . 1 1 83 83 LEU CB C 83 43.519 43.519 46.129 -2.610 11451 8790 1 12 . 1 1 83 83 LEU H H 83 7.918 7.918 8.331 -0.413 11451 8791 1 12 . 1 1 84 84 ALA N N 84 121.663 121.663 123.524 -1.861 11451 8792 1 12 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.302 0.215 11451 8793 1 12 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.617 -0.548 11451 8794 1 12 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.732 1.253 11451 8795 1 12 . 1 1 84 84 ALA H H 84 8.053 8.053 8.124 -0.071 11451 8796 1 12 . 1 1 85 85 MET N N 85 115.338 115.338 117.107 -1.769 11451 8797 1 12 . 1 1 85 85 MET HA H 85 5.241 5.241 4.921 0.320 11451 8798 1 12 . 1 1 85 85 MET CA C 85 52.707 52.707 55.172 -2.465 11451 8799 1 12 . 1 1 85 85 MET CB C 85 29.801 29.801 33.590 -3.788 11451 8800 1 12 . 1 1 85 85 MET H H 85 7.539 7.539 8.105 -0.566 11451 8801 1 12 . 1 1 86 86 ALA N N 86 126.558 126.558 124.425 2.133 11451 8802 1 12 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.942 -0.259 11451 8803 1 12 . 1 1 86 86 ALA CA C 86 51.207 51.207 50.874 0.333 11451 8804 1 12 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.837 -1.421 11451 8805 1 12 . 1 1 86 86 ALA H H 86 8.287 8.287 8.628 -0.341 11451 8806 1 12 . 1 1 87 87 ARG N N 87 113.623 113.623 117.448 -3.825 11451 8807 1 12 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.829 -0.195 11451 8808 1 12 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.033 0.735 11451 8809 1 12 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.527 -2.805 11451 8810 1 12 . 1 1 87 87 ARG H H 87 8.031 8.031 8.345 -0.314 11451 8811 1 12 . 1 1 88 88 THR N N 88 111.627 111.627 115.354 -3.727 11451 8812 1 12 . 1 1 88 88 THR HA H 88 4.624 4.624 4.139 0.485 11451 8813 1 12 . 1 1 88 88 THR CA C 88 60.554 60.554 64.505 -3.951 11451 8814 1 12 . 1 1 88 88 THR CB C 88 68.430 68.430 69.467 -1.037 11451 8815 1 12 . 1 1 88 88 THR H H 88 7.892 7.892 8.506 -0.614 11451 8816 1 12 . 1 1 89 89 GLN N N 89 117.361 117.361 116.394 0.967 11451 8817 1 12 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.451 -0.600 11451 8818 1 12 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.403 2.508 11451 8819 1 12 . 1 1 89 89 GLN CB C 89 28.370 28.370 29.972 -1.602 11451 8820 1 12 . 1 1 89 89 GLN H H 89 8.188 8.188 8.191 -0.003 11451 8821 1 12 . 1 1 90 90 ALA N N 90 122.998 122.998 124.888 -1.890 11451 8822 1 12 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.705 -0.360 11451 8823 1 12 . 1 1 90 90 ALA CA C 90 49.726 49.726 49.819 -0.093 11451 8824 1 12 . 1 1 90 90 ALA CB C 90 17.174 17.174 18.519 -1.345 11451 8825 1 12 . 1 1 90 90 ALA H H 90 7.962 7.962 7.899 0.063 11451 8826 1 12 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.898 -0.430 11451 8827 1 12 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.061 1.376 11451 8828 1 12 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.312 -1.343 11451 8829 1 12 . 1 1 92 92 HIS N N 92 118.470 118.470 113.907 4.563 11451 8830 1 12 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.909 -0.085 11451 8831 1 12 . 1 1 92 92 HIS CA C 92 54.201 54.201 54.941 -0.740 11451 8832 1 12 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.126 -0.817 11451 8833 1 12 . 1 1 92 92 HIS H H 92 7.977 7.977 7.771 0.206 11451 8834 1 12 . 1 1 93 93 SER N N 93 108.425 108.425 115.089 -6.664 11451 8835 1 12 . 1 1 93 93 SER HA H 93 4.380 4.380 4.625 -0.245 11451 8836 1 12 . 1 1 93 93 SER CA C 93 57.696 57.696 57.859 -0.163 11451 8837 1 12 . 1 1 93 93 SER CB C 93 65.924 65.924 63.656 2.268 11451 8838 1 12 . 1 1 93 93 SER H H 93 6.374 6.374 7.689 -1.315 11451 8839 1 12 . 1 1 94 94 ALA N N 94 130.109 130.109 124.900 5.209 11451 8840 1 12 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.025 -0.749 11451 8841 1 12 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.170 3.003 11451 8842 1 12 . 1 1 94 94 ALA CB C 94 20.366 20.366 19.901 0.465 11451 8843 1 12 . 1 1 94 94 ALA H H 94 8.543 8.543 7.343 1.200 11451 8844 1 12 . 1 1 95 95 THR N N 95 110.794 110.794 115.973 -5.179 11451 8845 1 12 . 1 1 95 95 THR HA H 95 4.722 4.722 4.516 0.206 11451 8846 1 12 . 1 1 95 95 THR CA C 95 59.725 59.725 63.348 -3.623 11451 8847 1 12 . 1 1 95 95 THR CB C 95 70.157 70.157 69.904 0.252 11451 8848 1 12 . 1 1 95 95 THR H H 95 8.925 8.925 8.410 0.515 11451 8849 1 12 . 1 1 96 96 ALA N N 96 121.615 121.615 122.102 -0.487 11451 8850 1 12 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.837 -0.410 11451 8851 1 12 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.875 -0.339 11451 8852 1 12 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.752 3.464 11451 8853 1 12 . 1 1 96 96 ALA H H 96 7.954 7.954 8.252 -0.298 11451 8854 1 12 . 1 1 97 97 GLN N N 97 115.548 115.548 119.603 -4.055 11451 8855 1 12 . 1 1 97 97 GLN HA H 97 4.629 4.629 5.103 -0.474 11451 8856 1 12 . 1 1 97 97 GLN CA C 97 57.388 57.388 54.883 2.505 11451 8857 1 12 . 1 1 97 97 GLN CB C 97 30.757 30.757 30.701 0.056 11451 8858 1 12 . 1 1 97 97 GLN H H 97 7.866 7.866 8.068 -0.202 11451 8859 1 12 . 1 1 98 98 PHE N N 98 117.593 117.593 119.610 -2.017 11451 8860 1 12 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.498 0.290 11451 8861 1 12 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.957 -1.302 11451 8862 1 12 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.197 0.028 11451 8863 1 12 . 1 1 98 98 PHE H H 98 7.623 7.623 8.471 -0.848 11451 8864 1 12 . 1 1 99 99 PHE N N 99 116.226 116.226 114.638 1.588 11451 8865 1 12 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.273 0.459 11451 8866 1 12 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.645 -0.596 11451 8867 1 12 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.228 1.792 11451 8868 1 12 . 1 1 99 99 PHE H H 99 9.518 9.518 8.801 0.717 11451 8869 1 12 . 1 1 100 100 ILE N N 100 117.687 117.687 120.272 -2.585 11451 8870 1 12 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.845 -0.018 11451 8871 1 12 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.157 -0.808 11451 8872 1 12 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.961 -0.292 11451 8873 1 12 . 1 1 100 100 ILE H H 100 9.136 9.136 9.098 0.038 11451 8874 1 12 . 1 1 101 101 ASN N N 101 126.524 126.524 128.211 -1.687 11451 8875 1 12 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.793 -0.334 11451 8876 1 12 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.285 2.448 11451 8877 1 12 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.035 1.891 11451 8878 1 12 . 1 1 101 101 ASN H H 101 8.877 8.877 9.127 -0.250 11451 8879 1 12 . 1 1 102 102 VAL N N 102 117.660 117.660 123.323 -5.663 11451 8880 1 12 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.945 0.466 11451 8881 1 12 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.039 -1.132 11451 8882 1 12 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.661 -2.291 11451 8883 1 12 . 1 1 102 102 VAL H H 102 7.700 7.700 7.975 -0.275 11451 8884 1 12 . 1 1 103 103 VAL N N 103 116.637 116.637 112.099 4.538 11451 8885 1 12 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.435 -0.082 11451 8886 1 12 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.884 0.775 11451 8887 1 12 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.336 1.174 11451 8888 1 12 . 1 1 103 103 VAL H H 103 7.753 7.753 7.153 0.600 11451 8889 1 12 . 1 1 104 104 ASP N N 104 118.510 118.510 121.889 -3.379 11451 8890 1 12 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.655 -0.400 11451 8891 1 12 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.057 0.443 11451 8892 1 12 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.149 -2.061 11451 8893 1 12 . 1 1 104 104 ASP H H 104 8.171 8.171 8.502 -0.331 11451 8894 1 12 . 1 1 105 105 ASN N N 105 128.132 128.132 122.645 5.487 11451 8895 1 12 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.775 0.304 11451 8896 1 12 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.386 -0.857 11451 8897 1 12 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.047 0.088 11451 8898 1 12 . 1 1 105 105 ASN H H 105 8.352 8.352 8.156 0.196 11451 8899 1 12 . 1 1 106 106 ASP N N 106 121.636 121.636 121.203 0.433 11451 8900 1 12 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.600 -0.329 11451 8901 1 12 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.351 0.436 11451 8902 1 12 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.491 -0.686 11451 8903 1 12 . 1 1 106 106 ASP H H 106 8.203 8.203 8.855 -0.652 11451 8904 1 12 . 1 1 107 107 PHE N N 107 114.525 114.525 116.296 -1.771 11451 8905 1 12 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.451 0.047 11451 8906 1 12 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.140 -1.745 11451 8907 1 12 . 1 1 107 107 PHE CB C 107 36.780 36.780 37.737 -0.957 11451 8908 1 12 . 1 1 107 107 PHE H H 107 7.388 7.388 7.708 -0.320 11451 8909 1 12 . 1 1 108 108 LEU N N 108 121.576 121.576 118.499 3.077 11451 8910 1 12 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.484 -0.018 11451 8911 1 12 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.304 -0.826 11451 8912 1 12 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.233 0.866 11451 8913 1 12 . 1 1 108 108 LEU H H 108 7.163 7.163 7.416 -0.253 11451 8914 1 12 . 1 1 109 109 ASN N N 109 116.121 116.121 117.977 -1.856 11451 8915 1 12 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.916 0.233 11451 8916 1 12 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.240 -0.270 11451 8917 1 12 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.175 -1.056 11451 8918 1 12 . 1 1 109 109 ASN H H 109 7.312 7.312 7.703 -0.391 11451 8919 1 12 . 1 1 110 110 PHE N N 110 124.182 124.182 119.660 4.522 11451 8920 1 12 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.817 -0.565 11451 8921 1 12 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.214 -0.159 11451 8922 1 12 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.362 -0.569 11451 8923 1 12 . 1 1 110 110 PHE H H 110 8.825 8.825 8.898 -0.073 11451 8924 1 12 . 1 1 111 111 SER N N 111 122.136 122.136 120.620 1.516 11451 8925 1 12 . 1 1 111 111 SER HA H 111 4.179 4.179 4.417 -0.238 11451 8926 1 12 . 1 1 111 111 SER CA C 111 57.521 57.521 57.765 -0.244 11451 8927 1 12 . 1 1 111 111 SER CB C 111 64.617 64.617 64.254 0.363 11451 8928 1 12 . 1 1 111 111 SER H H 111 9.456 9.456 8.129 1.327 11451 8929 1 12 . 1 1 112 112 GLY N N 112 110.435 110.435 108.097 2.338 11451 8930 1 12 . 1 1 112 112 GLY CA C 112 45.378 45.378 45.156 0.222 11451 8931 1 12 . 1 1 112 112 GLY H H 112 5.514 5.514 7.100 -1.586 11451 8932 1 12 . 1 1 113 113 GLU N N 113 118.926 118.926 118.108 0.818 11451 8933 1 12 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.522 -0.875 11451 8934 1 12 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.400 -2.430 11451 8935 1 12 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.044 -2.381 11451 8936 1 12 . 1 1 113 113 GLU H H 113 7.862 7.862 8.087 -0.225 11451 8937 1 12 . 1 1 114 114 SER N N 114 119.323 119.323 114.312 5.011 11451 8938 1 12 . 1 1 114 114 SER HA H 114 4.625 4.625 4.797 -0.172 11451 8939 1 12 . 1 1 114 114 SER CA C 114 56.279 56.279 57.183 -0.904 11451 8940 1 12 . 1 1 114 114 SER H H 114 7.621 7.621 8.041 -0.420 11451 8941 1 12 . 1 1 115 115 LEU N N 115 122.373 122.373 126.722 -4.349 11451 8942 1 12 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.920 0.197 11451 8943 1 12 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.327 1.633 11451 8944 1 12 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.931 -0.806 11451 8945 1 12 . 1 1 115 115 LEU H H 115 8.745 8.745 8.950 -0.205 11451 8946 1 12 . 1 1 116 116 GLN N N 116 114.490 114.490 116.027 -1.537 11451 8947 1 12 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.281 -0.019 11451 8948 1 12 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.686 0.441 11451 8949 1 12 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.672 -0.475 11451 8950 1 12 . 1 1 116 116 GLN H H 116 8.292 8.292 8.337 -0.045 11451 8951 1 12 . 1 1 117 117 GLY N N 117 109.729 109.729 108.051 1.678 11451 8952 1 12 . 1 1 117 117 GLY CA C 117 45.541 45.541 45.108 0.432 11451 8953 1 12 . 1 1 117 117 GLY H H 117 7.832 7.832 8.316 -0.484 11451 8954 1 12 . 1 1 118 118 TRP N N 118 123.807 123.807 123.983 -0.176 11451 8955 1 12 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.883 -0.569 11451 8956 1 12 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.725 7.569 11451 8957 1 12 . 1 1 118 118 TRP CB C 118 30.167 30.167 27.643 2.524 11451 8958 1 12 . 1 1 118 118 TRP H H 118 7.801 7.801 7.786 0.015 11451 8959 1 12 . 1 1 119 119 GLY N N 119 124.815 124.815 111.534 13.281 11451 8960 1 12 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.268 0.051 11451 8961 1 12 . 1 1 119 119 GLY H H 119 7.438 7.438 8.591 -1.153 11451 8962 1 12 . 1 1 120 120 TYR N N 120 119.720 119.720 118.471 1.249 11451 8963 1 12 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.089 0.113 11451 8964 1 12 . 1 1 120 120 TYR CA C 120 57.319 57.319 56.983 0.337 11451 8965 1 12 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.251 -2.512 11451 8966 1 12 . 1 1 120 120 TYR H H 120 8.281 8.281 8.773 -0.492 11451 8967 1 12 . 1 1 121 121 CYS N N 121 126.117 126.117 122.601 3.516 11451 8968 1 12 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.708 -0.469 11451 8969 1 12 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.218 1.480 11451 8970 1 12 . 1 1 121 121 CYS CB C 121 28.010 28.010 29.613 -1.603 11451 8971 1 12 . 1 1 121 121 CYS H H 121 9.818 9.818 8.974 0.844 11451 8972 1 12 . 1 1 122 122 VAL N N 122 106.168 106.168 129.813 -23.645 11451 8973 1 12 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.230 0.333 11451 8974 1 12 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.982 -0.332 11451 8975 1 12 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.087 1.392 11451 8976 1 12 . 1 1 122 122 VAL H H 122 9.382 9.382 9.031 0.351 11451 8977 1 12 . 1 1 123 123 PHE N N 123 118.398 118.398 125.195 -6.797 11451 8978 1 12 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.608 0.253 11451 8979 1 12 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.662 -2.723 11451 8980 1 12 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.758 1.883 11451 8981 1 12 . 1 1 123 123 PHE H H 123 7.842 7.842 8.266 -0.424 11451 8982 1 12 . 1 1 124 124 ALA N N 124 124.412 124.412 118.485 5.927 11451 8983 1 12 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.624 0.026 11451 8984 1 12 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.549 0.210 11451 8985 1 12 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.750 1.885 11451 8986 1 12 . 1 1 124 124 ALA H H 124 7.327 7.327 6.947 0.380 11451 8987 1 12 . 1 1 125 125 GLU N N 125 115.272 115.272 117.611 -2.339 11451 8988 1 12 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.661 0.110 11451 8989 1 12 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.178 0.473 11451 8990 1 12 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.591 -0.821 11451 8991 1 12 . 1 1 125 125 GLU H H 125 8.223 8.223 8.264 -0.041 11451 8992 1 12 . 1 1 126 126 VAL N N 126 123.948 123.948 122.669 1.279 11451 8993 1 12 . 1 1 126 126 VAL HA H 126 3.909 3.909 4.009 -0.100 11451 8994 1 12 . 1 1 126 126 VAL CA C 126 63.265 63.265 62.535 0.730 11451 8995 1 12 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.184 -0.374 11451 8996 1 12 . 1 1 126 126 VAL H H 126 8.786 8.786 8.010 0.776 11451 8997 1 12 . 1 1 127 127 VAL N N 127 123.644 123.644 127.081 -3.437 11451 8998 1 12 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.106 0.243 11451 8999 1 12 . 1 1 127 127 VAL CA C 127 61.494 61.494 62.881 -1.387 11451 9000 1 12 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.685 -0.203 11451 9001 1 12 . 1 1 127 127 VAL H H 127 9.096 9.096 8.973 0.123 11451 9002 1 12 . 1 1 128 128 ASP N N 128 121.165 121.165 118.832 2.333 11451 9003 1 12 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.845 0.077 11451 9004 1 12 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.438 0.963 11451 9005 1 12 . 1 1 128 128 ASP CB C 128 43.049 43.049 43.871 -0.822 11451 9006 1 12 . 1 1 128 128 ASP H H 128 7.719 7.719 7.668 0.051 11451 9007 1 12 . 1 1 129 129 GLY N N 129 110.821 110.821 108.148 2.673 11451 9008 1 12 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.579 0.182 11451 9009 1 12 . 1 1 129 129 GLY H H 129 8.276 8.276 8.925 -0.649 11451 9010 1 12 . 1 1 130 130 MET N N 130 122.991 122.991 120.231 2.760 11451 9011 1 12 . 1 1 130 130 MET HA H 130 4.468 4.468 4.231 0.237 11451 9012 1 12 . 1 1 130 130 MET CA C 130 55.953 55.953 56.747 -0.794 11451 9013 1 12 . 1 1 130 130 MET CB C 130 28.771 28.771 31.243 -2.472 11451 9014 1 12 . 1 1 130 130 MET H H 130 8.945 8.945 8.453 0.492 11451 9015 1 12 . 1 1 131 131 ASP N N 131 117.183 117.183 118.447 -1.264 11451 9016 1 12 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.454 -0.208 11451 9017 1 12 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.570 -0.931 11451 9018 1 12 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.348 -1.670 11451 9019 1 12 . 1 1 131 131 ASP H H 131 8.924 8.924 8.753 0.171 11451 9020 1 12 . 1 1 132 132 VAL N N 132 124.340 124.340 120.161 4.179 11451 9021 1 12 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.811 -0.372 11451 9022 1 12 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.566 0.449 11451 9023 1 12 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.837 -1.056 11451 9024 1 12 . 1 1 132 132 VAL H H 132 7.222 7.222 7.672 -0.450 11451 9025 1 12 . 1 1 133 133 VAL N N 133 121.730 121.730 121.123 0.607 11451 9026 1 12 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.467 -0.449 11451 9027 1 12 . 1 1 133 133 VAL CA C 133 67.076 67.076 67.380 -0.304 11451 9028 1 12 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.338 -0.518 11451 9029 1 12 . 1 1 133 133 VAL H H 133 7.367 7.367 8.134 -0.767 11451 9030 1 12 . 1 1 134 134 ASP N N 134 117.555 117.555 118.393 -0.838 11451 9031 1 12 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.332 -0.082 11451 9032 1 12 . 1 1 134 134 ASP CA C 134 56.263 56.263 57.248 -0.985 11451 9033 1 12 . 1 1 134 134 ASP CB C 134 39.812 39.812 40.943 -1.131 11451 9034 1 12 . 1 1 134 134 ASP H H 134 8.411 8.411 8.324 0.087 11451 9035 1 12 . 1 1 135 135 LYS N N 135 122.646 122.646 119.915 2.731 11451 9036 1 12 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.108 -0.107 11451 9037 1 12 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.327 0.581 11451 9038 1 12 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.010 -0.000 11451 9039 1 12 . 1 1 135 135 LYS H H 135 7.418 7.418 7.374 0.044 11451 9040 1 12 . 1 1 136 136 ILE N N 136 121.613 121.613 117.326 4.287 11451 9041 1 12 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.532 -0.470 11451 9042 1 12 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.037 1.270 11451 9043 1 12 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.856 -0.557 11451 9044 1 12 . 1 1 136 136 ILE H H 136 8.075 8.075 8.267 -0.192 11451 9045 1 12 . 1 1 137 137 LYS N N 137 113.499 113.499 116.312 -2.813 11451 9046 1 12 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.214 -0.470 11451 9047 1 12 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.491 0.397 11451 9048 1 12 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.461 -1.106 11451 9049 1 12 . 1 1 137 137 LYS H H 137 7.976 7.976 7.786 0.190 11451 9050 1 12 . 1 1 138 138 GLY N N 138 104.829 104.829 107.121 -2.292 11451 9051 1 12 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.458 -1.277 11451 9052 1 12 . 1 1 138 138 GLY H H 138 6.858 6.858 7.510 -0.652 11451 9053 1 12 . 1 1 139 139 VAL N N 139 116.189 116.189 117.638 -1.449 11451 9054 1 12 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.789 0.294 11451 9055 1 12 . 1 1 139 139 VAL CA C 139 61.744 61.744 62.206 -0.462 11451 9056 1 12 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.021 1.829 11451 9057 1 12 . 1 1 139 139 VAL H H 139 7.220 7.220 7.383 -0.163 11451 9058 1 12 . 1 1 140 140 ALA N N 140 123.097 123.097 117.374 5.723 11451 9059 1 12 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.147 0.135 11451 9060 1 12 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.183 0.667 11451 9061 1 12 . 1 1 140 140 ALA CB C 140 18.372 18.372 18.665 -0.293 11451 9062 1 12 . 1 1 140 140 ALA H H 140 8.262 8.262 7.655 0.607 11451 9063 1 12 . 1 1 141 141 THR N N 141 113.326 113.326 112.761 0.565 11451 9064 1 12 . 1 1 141 141 THR HA H 141 4.925 4.925 5.075 -0.150 11451 9065 1 12 . 1 1 141 141 THR CA C 141 59.382 59.382 60.063 -0.681 11451 9066 1 12 . 1 1 141 141 THR CB C 141 73.286 73.286 71.051 2.235 11451 9067 1 12 . 1 1 141 141 THR H H 141 8.278 8.278 8.208 0.070 11451 9068 1 12 . 1 1 142 142 GLY N N 142 107.299 107.299 109.471 -2.172 11451 9069 1 12 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.549 -0.377 11451 9070 1 12 . 1 1 142 142 GLY H H 142 8.484 8.484 8.270 0.214 11451 9071 1 12 . 1 1 143 143 ARG N N 143 120.230 120.230 123.606 -3.376 11451 9072 1 12 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.219 0.578 11451 9073 1 12 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.118 -0.918 11451 9074 1 12 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.989 0.362 11451 9075 1 12 . 1 1 143 143 ARG H H 143 8.185 8.185 8.358 -0.173 11451 9076 1 12 . 1 1 144 144 SER N N 144 119.429 119.429 119.076 0.353 11451 9077 1 12 . 1 1 144 144 SER HA H 144 4.466 4.466 4.628 -0.162 11451 9078 1 12 . 1 1 144 144 SER CA C 144 56.856 56.856 57.185 -0.330 11451 9079 1 12 . 1 1 144 144 SER CB C 144 63.174 63.174 65.564 -2.390 11451 9080 1 12 . 1 1 144 144 SER H H 144 8.427 8.427 8.554 -0.127 11451 9081 1 12 . 1 1 145 145 GLY N N 145 117.736 117.736 108.182 9.554 11451 9082 1 12 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.480 0.206 11451 9083 1 12 . 1 1 145 145 GLY H H 145 8.902 8.902 8.838 0.064 11451 9084 1 12 . 1 1 146 146 MET N N 146 125.723 125.723 118.178 7.545 11451 9085 1 12 . 1 1 146 146 MET HA H 146 4.315 4.315 4.438 -0.123 11451 9086 1 12 . 1 1 146 146 MET CA C 146 55.431 55.431 55.978 -0.547 11451 9087 1 12 . 1 1 146 146 MET H H 146 8.827 8.827 7.500 1.327 11451 9088 1 12 . 1 1 147 147 HIS N N 147 121.581 121.581 116.052 5.529 11451 9089 1 12 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.840 -0.416 11451 9090 1 12 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.320 0.755 11451 9091 1 12 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.547 -0.954 11451 9092 1 12 . 1 1 147 147 HIS H H 147 8.010 8.010 8.159 -0.149 11451 9093 1 12 . 1 1 148 148 GLN N N 148 121.305 121.305 123.768 -2.463 11451 9094 1 12 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.278 0.192 11451 9095 1 12 . 1 1 148 148 GLN CA C 148 54.464 54.464 56.117 -1.653 11451 9096 1 12 . 1 1 148 148 GLN CB C 148 31.691 31.691 29.898 1.794 11451 9097 1 12 . 1 1 148 148 GLN H H 148 8.681 8.681 8.645 0.036 11451 9098 1 12 . 1 1 149 149 ASP N N 149 117.085 117.085 112.270 4.815 11451 9099 1 12 . 1 1 149 149 ASP CB C 149 39.479 39.479 38.752 0.727 11451 9100 1 12 . 1 1 149 149 ASP H H 149 8.635 8.635 8.597 0.038 11451 9101 1 12 . 1 1 150 150 VAL N N 150 120.313 120.313 112.808 7.505 11451 9102 1 12 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.537 -0.158 11451 9103 1 12 . 1 1 150 150 VAL CA C 150 59.168 59.168 59.848 -0.680 11451 9104 1 12 . 1 1 150 150 VAL CB C 150 33.080 33.080 32.006 1.074 11451 9105 1 12 . 1 1 150 150 VAL H H 150 8.470 8.470 7.320 1.150 11451 9106 1 12 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.523 -0.109 11451 9107 1 12 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.923 1.013 11451 9108 1 12 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.218 -0.042 11451 9109 1 12 . 1 1 152 152 LYS N N 152 125.675 125.675 121.592 4.083 11451 9110 1 12 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.183 -0.312 11451 9111 1 12 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.348 1.253 11451 9112 1 12 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.901 -1.116 11451 9113 1 12 . 1 1 152 152 LYS H H 152 8.169 8.169 8.248 -0.079 11451 9114 1 12 . 1 1 153 153 GLU N N 153 119.081 119.081 120.395 -1.314 11451 9115 1 12 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.386 0.010 11451 9116 1 12 . 1 1 153 153 GLU CA C 153 54.216 54.216 56.476 -2.260 11451 9117 1 12 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.602 0.136 11451 9118 1 12 . 1 1 153 153 GLU H H 153 7.960 7.960 8.191 -0.231 11451 9119 1 12 . 1 1 154 154 ASP N N 154 121.884 121.884 120.864 1.020 11451 9120 1 12 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.647 -0.415 11451 9121 1 12 . 1 1 154 154 ASP CA C 154 56.100 56.100 54.017 2.083 11451 9122 1 12 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.867 -0.327 11451 9123 1 12 . 1 1 154 154 ASP H H 154 8.149 8.149 8.576 -0.427 11451 9124 1 12 . 1 1 155 155 VAL N N 155 129.777 129.777 125.448 4.329 11451 9125 1 12 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.816 -0.377 11451 9126 1 12 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.362 0.949 11451 9127 1 12 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.218 -0.749 11451 9128 1 12 . 1 1 155 155 VAL H H 155 10.043 10.043 8.675 1.368 11451 9129 1 12 . 1 1 156 156 ILE N N 156 125.807 125.807 124.274 1.533 11451 9130 1 12 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.249 -0.837 11451 9131 1 12 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.643 2.042 11451 9132 1 12 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.671 0.243 11451 9133 1 12 . 1 1 156 156 ILE H H 156 8.252 8.252 9.601 -1.349 11451 9134 1 12 . 1 1 157 157 ILE N N 157 126.581 126.581 126.327 0.254 11451 9135 1 12 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.332 -0.653 11451 9136 1 12 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.901 0.604 11451 9137 1 12 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.550 -0.178 11451 9138 1 12 . 1 1 157 157 ILE H H 157 9.168 9.168 9.078 0.090 11451 9139 1 12 . 1 1 158 158 GLU N N 158 130.185 130.185 128.471 1.714 11451 9140 1 12 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.225 -0.185 11451 9141 1 12 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.360 0.546 11451 9142 1 12 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.722 -0.724 11451 9143 1 12 . 1 1 158 158 GLU H H 158 8.910 8.910 8.762 0.148 11451 9144 1 12 . 1 1 159 159 SER N N 159 108.037 108.037 110.270 -2.233 11451 9145 1 12 . 1 1 159 159 SER HA H 159 4.399 4.399 4.731 -0.332 11451 9146 1 12 . 1 1 159 159 SER CA C 159 57.505 57.505 57.602 -0.097 11451 9147 1 12 . 1 1 159 159 SER CB C 159 64.403 64.403 65.388 -0.985 11451 9148 1 12 . 1 1 159 159 SER H H 159 7.772 7.772 8.101 -0.329 11451 9149 1 12 . 1 1 160 160 VAL N N 160 119.790 119.790 121.329 -1.539 11451 9150 1 12 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.334 -0.159 11451 9151 1 12 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.942 -0.377 11451 9152 1 12 . 1 1 160 160 VAL CB C 160 35.015 35.015 36.077 -1.062 11451 9153 1 12 . 1 1 160 160 VAL H H 160 7.681 7.681 8.496 -0.815 11451 9154 1 12 . 1 1 161 161 THR N N 161 122.628 122.628 121.401 1.227 11451 9155 1 12 . 1 1 161 161 THR HA H 161 4.662 4.662 4.739 -0.077 11451 9156 1 12 . 1 1 161 161 THR CA C 161 61.452 61.452 60.913 0.539 11451 9157 1 12 . 1 1 161 161 THR CB C 161 70.781 70.781 71.534 -0.753 11451 9158 1 12 . 1 1 161 161 THR H H 161 8.817 8.817 9.259 -0.442 11451 9159 1 12 . 1 1 162 162 VAL N N 162 129.304 129.304 127.750 1.554 11451 9160 1 12 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.292 0.195 11451 9161 1 12 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.554 -0.797 11451 9162 1 12 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.138 0.344 11451 9163 1 12 . 1 1 162 162 VAL H H 162 9.075 9.075 8.652 0.423 11451 9164 1 12 . 1 1 163 163 SER N N 163 123.979 123.979 123.108 0.871 11451 9165 1 12 . 1 1 163 163 SER HA H 163 4.601 4.601 4.682 -0.081 11451 9166 1 12 . 1 1 163 163 SER CA C 163 57.521 57.521 56.507 1.014 11451 9167 1 12 . 1 1 163 163 SER CB C 163 64.409 64.409 64.522 -0.113 11451 9168 1 12 . 1 1 163 163 SER H H 163 8.727 8.727 8.570 0.157 11451 9169 1 13 . 1 1 2 2 VAL N N 2 123.776 123.776 120.578 3.198 11451 9170 1 13 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.757 0.018 11451 9171 1 13 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.771 0.253 11451 9172 1 13 . 1 1 2 2 VAL CB C 2 35.131 35.131 35.274 -0.143 11451 9173 1 13 . 1 1 2 2 VAL H H 2 8.961 8.961 8.893 0.068 11451 9174 1 13 . 1 1 3 3 THR N N 3 121.749 121.749 123.412 -1.663 11451 9175 1 13 . 1 1 3 3 THR HA H 3 5.053 5.053 4.904 0.149 11451 9176 1 13 . 1 1 3 3 THR CA C 3 61.176 61.176 61.686 -0.510 11451 9177 1 13 . 1 1 3 3 THR CB C 3 70.356 70.356 69.839 0.517 11451 9178 1 13 . 1 1 3 3 THR H H 3 8.912 8.912 9.080 -0.168 11451 9179 1 13 . 1 1 4 4 PHE N N 4 125.726 125.726 126.578 -0.852 11451 9180 1 13 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.946 -0.151 11451 9181 1 13 . 1 1 4 4 PHE CA C 4 54.011 54.011 54.803 -0.792 11451 9182 1 13 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.844 -1.123 11451 9183 1 13 . 1 1 4 4 PHE H H 4 9.442 9.442 9.098 0.344 11451 9184 1 13 . 1 1 5 5 HIS N N 5 125.337 125.337 123.869 1.468 11451 9185 1 13 . 1 1 5 5 HIS HA H 5 5.349 5.349 4.938 0.411 11451 9186 1 13 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.489 -1.181 11451 9187 1 13 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.399 -3.882 11451 9188 1 13 . 1 1 5 5 HIS H H 5 8.897 8.897 9.245 -0.348 11451 9189 1 13 . 1 1 6 6 THR N N 6 115.752 115.752 115.511 0.241 11451 9190 1 13 . 1 1 6 6 THR HA H 6 6.126 6.126 4.873 1.253 11451 9191 1 13 . 1 1 6 6 THR CA C 6 60.220 60.220 59.017 1.203 11451 9192 1 13 . 1 1 6 6 THR CB C 6 72.515 72.515 71.352 1.163 11451 9193 1 13 . 1 1 6 6 THR H H 6 7.881 7.881 8.224 -0.343 11451 9194 1 13 . 1 1 7 7 ASN N N 7 119.451 119.451 119.784 -0.333 11451 9195 1 13 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.584 -0.009 11451 9196 1 13 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.452 0.041 11451 9197 1 13 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.626 -3.292 11451 9198 1 13 . 1 1 7 7 ASN H H 7 9.334 9.334 8.669 0.665 11451 9199 1 13 . 1 1 8 8 HIS N N 8 118.490 118.490 116.017 2.473 11451 9200 1 13 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.853 -0.362 11451 9201 1 13 . 1 1 8 8 HIS CA C 8 56.790 56.790 55.599 1.191 11451 9202 1 13 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.488 1.146 11451 9203 1 13 . 1 1 8 8 HIS H H 8 8.663 8.663 7.246 1.417 11451 9204 1 13 . 1 1 9 9 GLY N N 9 108.550 108.550 108.532 0.018 11451 9205 1 13 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.802 -1.202 11451 9206 1 13 . 1 1 9 9 GLY H H 9 7.320 7.320 7.661 -0.341 11451 9207 1 13 . 1 1 10 10 ASP N N 10 123.900 123.900 122.479 1.421 11451 9208 1 13 . 1 1 10 10 ASP HA H 10 5.620 5.620 4.839 0.781 11451 9209 1 13 . 1 1 10 10 ASP CA C 10 54.310 54.310 55.172 -0.862 11451 9210 1 13 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.310 0.190 11451 9211 1 13 . 1 1 10 10 ASP H H 10 8.857 8.857 8.430 0.427 11451 9212 1 13 . 1 1 11 11 ILE N N 11 121.150 121.150 123.975 -2.825 11451 9213 1 13 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.679 -0.343 11451 9214 1 13 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.066 1.210 11451 9215 1 13 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.517 -0.858 11451 9216 1 13 . 1 1 11 11 ILE H H 11 8.638 8.638 8.714 -0.076 11451 9217 1 13 . 1 1 12 12 VAL N N 12 129.487 129.487 124.513 4.974 11451 9218 1 13 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.870 -0.339 11451 9219 1 13 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.524 1.786 11451 9220 1 13 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.730 -2.488 11451 9221 1 13 . 1 1 12 12 VAL H H 12 8.771 8.771 8.785 -0.014 11451 9222 1 13 . 1 1 13 13 ILE N N 13 127.702 127.702 126.027 1.675 11451 9223 1 13 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.713 -0.043 11451 9224 1 13 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.543 0.195 11451 9225 1 13 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.887 -0.328 11451 9226 1 13 . 1 1 13 13 ILE H H 13 9.527 9.527 9.053 0.474 11451 9227 1 13 . 1 1 14 14 LYS N N 14 126.574 126.574 126.240 0.334 11451 9228 1 13 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.580 0.197 11451 9229 1 13 . 1 1 14 14 LYS CA C 14 53.843 53.843 53.833 0.010 11451 9230 1 13 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.389 1.111 11451 9231 1 13 . 1 1 14 14 LYS H H 14 8.684 8.684 8.701 -0.017 11451 9232 1 13 . 1 1 15 15 THR N N 15 113.811 113.811 116.940 -3.129 11451 9233 1 13 . 1 1 15 15 THR HA H 15 4.130 4.130 4.227 -0.097 11451 9234 1 13 . 1 1 15 15 THR CA C 15 59.806 59.806 60.471 -0.665 11451 9235 1 13 . 1 1 15 15 THR CB C 15 69.319 69.319 69.682 -0.363 11451 9236 1 13 . 1 1 15 15 THR H H 15 8.343 8.343 8.239 0.104 11451 9237 1 13 . 1 1 16 16 PHE N N 16 122.611 122.611 123.876 -1.265 11451 9238 1 13 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.775 0.500 11451 9239 1 13 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.782 -1.492 11451 9240 1 13 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.801 -0.431 11451 9241 1 13 . 1 1 16 16 PHE H H 16 8.315 8.315 8.865 -0.550 11451 9242 1 13 . 1 1 17 17 ASP N N 17 120.182 120.182 122.948 -2.766 11451 9243 1 13 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.552 -0.790 11451 9244 1 13 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.524 0.434 11451 9245 1 13 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.967 -2.018 11451 9246 1 13 . 1 1 17 17 ASP H H 17 9.106 9.106 8.133 0.973 11451 9247 1 13 . 1 1 18 18 ASP N N 18 111.686 111.686 118.556 -6.870 11451 9248 1 13 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.507 -0.132 11451 9249 1 13 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.705 -1.682 11451 9250 1 13 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.642 -0.879 11451 9251 1 13 . 1 1 18 18 ASP H H 18 8.584 8.584 8.743 -0.159 11451 9252 1 13 . 1 1 19 19 LYS N N 19 118.003 118.003 116.475 1.528 11451 9253 1 13 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.389 0.047 11451 9254 1 13 . 1 1 19 19 LYS CA C 19 55.387 55.387 56.385 -0.998 11451 9255 1 13 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.338 0.529 11451 9256 1 13 . 1 1 19 19 LYS H H 19 7.333 7.333 7.972 -0.639 11451 9257 1 13 . 1 1 20 20 ALA N N 20 123.657 123.657 121.739 1.918 11451 9258 1 13 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.018 -0.400 11451 9259 1 13 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.826 -0.709 11451 9260 1 13 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.919 -0.684 11451 9261 1 13 . 1 1 20 20 ALA H H 20 7.560 7.560 8.185 -0.625 11451 9262 1 13 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.292 0.132 11451 9263 1 13 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.611 0.666 11451 9264 1 13 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.833 -0.325 11451 9265 1 13 . 1 1 22 22 GLU N N 22 122.557 122.557 118.213 4.344 11451 9266 1 13 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.160 -0.148 11451 9267 1 13 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.185 0.439 11451 9268 1 13 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.971 -0.491 11451 9269 1 13 . 1 1 22 22 GLU H H 22 9.855 9.855 8.124 1.731 11451 9270 1 13 . 1 1 23 23 THR N N 23 122.201 122.201 117.560 4.641 11451 9271 1 13 . 1 1 23 23 THR HA H 23 3.584 3.584 4.111 -0.527 11451 9272 1 13 . 1 1 23 23 THR CA C 23 66.554 66.554 66.909 -0.355 11451 9273 1 13 . 1 1 23 23 THR CB C 23 67.614 67.614 68.785 -1.171 11451 9274 1 13 . 1 1 23 23 THR H H 23 9.390 9.390 8.843 0.547 11451 9275 1 13 . 1 1 24 24 VAL N N 24 125.111 125.111 121.737 3.374 11451 9276 1 13 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.805 -0.320 11451 9277 1 13 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.900 1.407 11451 9278 1 13 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.258 -0.369 11451 9279 1 13 . 1 1 24 24 VAL H H 24 9.359 9.359 8.449 0.910 11451 9280 1 13 . 1 1 25 25 LYS N N 25 121.050 121.050 120.480 0.570 11451 9281 1 13 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.953 -0.085 11451 9282 1 13 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.555 0.684 11451 9283 1 13 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.906 -0.209 11451 9284 1 13 . 1 1 25 25 LYS H H 25 7.686 7.686 8.538 -0.852 11451 9285 1 13 . 1 1 26 26 ASN N N 26 116.337 116.337 117.296 -0.959 11451 9286 1 13 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.458 -0.402 11451 9287 1 13 . 1 1 26 26 ASN CA C 26 56.559 56.559 55.853 0.706 11451 9288 1 13 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.378 2.314 11451 9289 1 13 . 1 1 26 26 ASN H H 26 7.535 7.535 7.707 -0.172 11451 9290 1 13 . 1 1 27 27 PHE N N 27 119.858 119.858 121.904 -2.046 11451 9291 1 13 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.440 0.099 11451 9292 1 13 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.888 -0.955 11451 9293 1 13 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.230 0.601 11451 9294 1 13 . 1 1 27 27 PHE H H 27 7.867 7.867 7.828 0.039 11451 9295 1 13 . 1 1 28 28 LEU N N 28 120.761 120.761 119.651 1.110 11451 9296 1 13 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.962 -0.219 11451 9297 1 13 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.130 -0.262 11451 9298 1 13 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.446 -0.192 11451 9299 1 13 . 1 1 28 28 LEU H H 28 9.377 9.377 8.791 0.586 11451 9300 1 13 . 1 1 29 29 ASP N N 29 121.607 121.607 119.467 2.140 11451 9301 1 13 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.342 -0.047 11451 9302 1 13 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.739 0.090 11451 9303 1 13 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.515 -1.489 11451 9304 1 13 . 1 1 29 29 ASP H H 29 8.374 8.374 8.593 -0.219 11451 9305 1 13 . 1 1 30 30 TYR N N 30 118.959 118.959 119.719 -0.760 11451 9306 1 13 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.285 -0.280 11451 9307 1 13 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.316 0.432 11451 9308 1 13 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.131 -0.392 11451 9309 1 13 . 1 1 30 30 TYR H H 30 7.287 7.287 7.738 -0.451 11451 9310 1 13 . 1 1 31 31 CYS N N 31 116.202 116.202 118.052 -1.850 11451 9311 1 13 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.203 -0.169 11451 9312 1 13 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.926 0.477 11451 9313 1 13 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.248 -0.028 11451 9314 1 13 . 1 1 31 31 CYS H H 31 8.336 8.336 8.377 -0.041 11451 9315 1 13 . 1 1 32 32 ARG N N 32 121.949 121.949 120.725 1.224 11451 9316 1 13 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.120 -0.258 11451 9317 1 13 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.751 0.968 11451 9318 1 13 . 1 1 32 32 ARG CB C 32 30.374 30.374 29.996 0.378 11451 9319 1 13 . 1 1 32 32 ARG H H 32 9.077 9.077 8.414 0.663 11451 9320 1 13 . 1 1 33 33 GLU N N 33 116.667 116.667 116.837 -0.170 11451 9321 1 13 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.392 -0.205 11451 9322 1 13 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.273 0.176 11451 9323 1 13 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.812 -0.554 11451 9324 1 13 . 1 1 33 33 GLU H H 33 7.920 7.920 7.691 0.229 11451 9325 1 13 . 1 1 34 34 GLY N N 34 107.273 107.273 106.740 0.533 11451 9326 1 13 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.277 0.121 11451 9327 1 13 . 1 1 34 34 GLY H H 34 7.533 7.533 7.614 -0.081 11451 9328 1 13 . 1 1 35 35 PHE N N 35 122.134 122.134 121.434 0.700 11451 9329 1 13 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.141 -0.476 11451 9330 1 13 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.639 1.966 11451 9331 1 13 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.366 0.704 11451 9332 1 13 . 1 1 35 35 PHE H H 35 8.129 8.129 8.492 -0.363 11451 9333 1 13 . 1 1 36 36 TYR N N 36 111.250 111.250 115.310 -4.060 11451 9334 1 13 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.318 0.006 11451 9335 1 13 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.030 -0.352 11451 9336 1 13 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.289 -0.829 11451 9337 1 13 . 1 1 36 36 TYR H H 36 7.355 7.355 8.330 -0.975 11451 9338 1 13 . 1 1 37 37 ASN N N 37 121.890 121.890 119.802 2.088 11451 9339 1 13 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.609 -0.784 11451 9340 1 13 . 1 1 37 37 ASN CA C 37 54.179 54.179 53.967 0.212 11451 9341 1 13 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.283 -2.428 11451 9342 1 13 . 1 1 37 37 ASN H H 37 7.106 7.106 7.668 -0.562 11451 9343 1 13 . 1 1 38 38 ASN N N 38 121.572 121.572 119.321 2.251 11451 9344 1 13 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.399 -0.351 11451 9345 1 13 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.453 0.267 11451 9346 1 13 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.639 0.899 11451 9347 1 13 . 1 1 38 38 ASN H H 38 9.235 9.235 8.440 0.795 11451 9348 1 13 . 1 1 39 39 THR N N 39 104.540 104.540 107.884 -3.344 11451 9349 1 13 . 1 1 39 39 THR HA H 39 5.006 5.006 5.218 -0.212 11451 9350 1 13 . 1 1 39 39 THR CA C 39 59.979 59.979 60.044 -0.065 11451 9351 1 13 . 1 1 39 39 THR CB C 39 72.789 72.789 71.118 1.671 11451 9352 1 13 . 1 1 39 39 THR H H 39 7.328 7.328 7.471 -0.143 11451 9353 1 13 . 1 1 40 40 ILE N N 40 108.904 108.904 115.161 -6.257 11451 9354 1 13 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.209 0.460 11451 9355 1 13 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.445 0.355 11451 9356 1 13 . 1 1 40 40 ILE CB C 40 39.724 39.724 41.992 -2.268 11451 9357 1 13 . 1 1 40 40 ILE H H 40 7.943 7.943 8.398 -0.455 11451 9358 1 13 . 1 1 41 41 PHE N N 41 122.068 122.068 121.799 0.269 11451 9359 1 13 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.873 0.087 11451 9360 1 13 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.865 0.952 11451 9361 1 13 . 1 1 41 41 PHE CB C 41 37.410 37.410 39.473 -2.063 11451 9362 1 13 . 1 1 41 41 PHE H H 41 8.289 8.289 8.791 -0.502 11451 9363 1 13 . 1 1 42 42 HIS N N 42 121.477 121.477 120.642 0.835 11451 9364 1 13 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.726 -0.450 11451 9365 1 13 . 1 1 42 42 HIS CA C 42 56.598 56.598 55.042 1.556 11451 9366 1 13 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.928 0.735 11451 9367 1 13 . 1 1 42 42 HIS H H 42 7.862 7.862 8.357 -0.495 11451 9368 1 13 . 1 1 43 43 ARG N N 43 123.403 123.403 119.480 3.923 11451 9369 1 13 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.883 -0.267 11451 9370 1 13 . 1 1 43 43 ARG CA C 43 55.318 55.318 53.987 1.331 11451 9371 1 13 . 1 1 43 43 ARG CB C 43 32.275 32.275 32.644 -0.369 11451 9372 1 13 . 1 1 43 43 ARG H H 43 6.933 6.933 7.379 -0.446 11451 9373 1 13 . 1 1 44 44 VAL N N 44 129.359 129.359 123.583 5.776 11451 9374 1 13 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.546 -0.406 11451 9375 1 13 . 1 1 44 44 VAL CA C 44 62.374 62.374 60.352 2.022 11451 9376 1 13 . 1 1 44 44 VAL CB C 44 35.191 35.191 34.730 0.461 11451 9377 1 13 . 1 1 44 44 VAL H H 44 9.023 9.023 8.134 0.889 11451 9378 1 13 . 1 1 45 45 ILE N N 45 126.532 126.532 126.737 -0.205 11451 9379 1 13 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.408 -0.172 11451 9380 1 13 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.900 0.564 11451 9381 1 13 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.619 -1.669 11451 9382 1 13 . 1 1 45 45 ILE H H 45 8.243 8.243 8.157 0.086 11451 9383 1 13 . 1 1 46 46 ASN N N 46 128.015 128.015 127.447 0.568 11451 9384 1 13 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.548 -0.387 11451 9385 1 13 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.439 -0.098 11451 9386 1 13 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.632 -1.958 11451 9387 1 13 . 1 1 46 46 ASN H H 46 9.127 9.127 8.793 0.334 11451 9388 1 13 . 1 1 47 47 GLY N N 47 110.314 110.314 108.143 2.171 11451 9389 1 13 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.451 0.179 11451 9390 1 13 . 1 1 47 47 GLY H H 47 7.542 7.542 8.914 -1.372 11451 9391 1 13 . 1 1 48 48 PHE N N 48 116.701 116.701 118.752 -2.051 11451 9392 1 13 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.815 0.327 11451 9393 1 13 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.216 1.284 11451 9394 1 13 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.142 -2.814 11451 9395 1 13 . 1 1 48 48 PHE H H 48 7.800 7.800 7.701 0.099 11451 9396 1 13 . 1 1 49 49 MET N N 49 117.710 117.710 117.618 0.092 11451 9397 1 13 . 1 1 49 49 MET HA H 49 5.027 5.027 4.566 0.461 11451 9398 1 13 . 1 1 49 49 MET CA C 49 55.009 55.009 53.441 1.568 11451 9399 1 13 . 1 1 49 49 MET CB C 49 35.120 35.120 33.282 1.838 11451 9400 1 13 . 1 1 49 49 MET H H 49 8.363 8.363 7.015 1.348 11451 9401 1 13 . 1 1 50 50 ILE N N 50 110.774 110.774 113.001 -2.227 11451 9402 1 13 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.940 -0.073 11451 9403 1 13 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.215 0.520 11451 9404 1 13 . 1 1 50 50 ILE CB C 50 40.261 40.261 41.019 -0.758 11451 9405 1 13 . 1 1 50 50 ILE H H 50 7.749 7.749 7.637 0.112 11451 9406 1 13 . 1 1 51 51 GLN N N 51 127.997 127.997 124.630 3.367 11451 9407 1 13 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.026 0.175 11451 9408 1 13 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.958 0.094 11451 9409 1 13 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.702 -1.018 11451 9410 1 13 . 1 1 51 51 GLN H H 51 9.198 9.198 8.026 1.172 11451 9411 1 13 . 1 1 52 52 GLY N N 52 111.413 111.413 108.051 3.362 11451 9412 1 13 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.493 0.800 11451 9413 1 13 . 1 1 52 52 GLY H H 52 8.037 8.037 8.535 -0.498 11451 9414 1 13 . 1 1 53 53 GLY N N 53 106.177 106.177 106.270 -0.093 11451 9415 1 13 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.589 -0.512 11451 9416 1 13 . 1 1 53 53 GLY H H 53 8.334 8.334 8.120 0.214 11451 9417 1 13 . 1 1 54 54 GLY N N 54 129.939 129.939 106.884 23.055 11451 9418 1 13 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.358 0.054 11451 9419 1 13 . 1 1 54 54 GLY H H 54 9.068 9.068 8.410 0.658 11451 9420 1 13 . 1 1 55 55 PHE N N 55 121.195 121.195 116.567 4.628 11451 9421 1 13 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.908 -0.021 11451 9422 1 13 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.311 0.387 11451 9423 1 13 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.714 -0.868 11451 9424 1 13 . 1 1 55 55 PHE H H 55 9.329 9.329 7.124 2.205 11451 9425 1 13 . 1 1 56 56 GLU N N 56 120.126 120.126 119.795 0.331 11451 9426 1 13 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.166 -0.318 11451 9427 1 13 . 1 1 56 56 GLU CA C 56 54.199 54.199 52.578 1.621 11451 9428 1 13 . 1 1 56 56 GLU CB C 56 29.452 29.452 31.788 -2.336 11451 9429 1 13 . 1 1 56 56 GLU H H 56 8.531 8.531 8.630 -0.099 11451 9430 1 13 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.190 -0.200 11451 9431 1 13 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.231 0.632 11451 9432 1 13 . 1 1 57 57 PRO CB C 57 30.868 30.868 32.014 -1.146 11451 9433 1 13 . 1 1 58 58 GLY N N 58 113.477 113.477 112.477 1.000 11451 9434 1 13 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.902 -0.536 11451 9435 1 13 . 1 1 58 58 GLY H H 58 9.454 9.454 8.413 1.041 11451 9436 1 13 . 1 1 59 59 MET N N 59 114.007 114.007 115.083 -1.076 11451 9437 1 13 . 1 1 59 59 MET HA H 59 3.946 3.946 3.679 0.267 11451 9438 1 13 . 1 1 59 59 MET CA C 59 54.650 54.650 55.517 -0.868 11451 9439 1 13 . 1 1 59 59 MET CB C 59 25.875 25.875 28.951 -3.076 11451 9440 1 13 . 1 1 59 59 MET H H 59 8.027 8.027 7.917 0.110 11451 9441 1 13 . 1 1 60 60 LYS N N 60 120.420 120.420 120.859 -0.439 11451 9442 1 13 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.344 0.122 11451 9443 1 13 . 1 1 60 60 LYS CA C 60 54.958 54.958 56.047 -1.089 11451 9444 1 13 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.574 -0.264 11451 9445 1 13 . 1 1 60 60 LYS H H 60 6.996 6.996 8.048 -1.052 11451 9446 1 13 . 1 1 61 61 GLN N N 61 130.250 130.250 126.282 3.968 11451 9447 1 13 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.331 -0.945 11451 9448 1 13 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.298 0.481 11451 9449 1 13 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.576 -1.135 11451 9450 1 13 . 1 1 61 61 GLN H H 61 8.965 8.965 8.790 0.175 11451 9451 1 13 . 1 1 62 62 LYS N N 62 126.196 126.196 124.887 1.309 11451 9452 1 13 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.357 -0.227 11451 9453 1 13 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.703 0.987 11451 9454 1 13 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.843 -0.071 11451 9455 1 13 . 1 1 62 62 LYS H H 62 7.323 7.323 8.042 -0.719 11451 9456 1 13 . 1 1 63 63 ALA N N 63 127.588 127.588 124.644 2.944 11451 9457 1 13 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.621 -0.337 11451 9458 1 13 . 1 1 63 63 ALA CA C 63 52.645 52.645 50.914 1.731 11451 9459 1 13 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.712 0.661 11451 9460 1 13 . 1 1 63 63 ALA H H 63 8.458 8.458 8.691 -0.233 11451 9461 1 13 . 1 1 64 64 THR N N 64 111.370 111.370 114.470 -3.100 11451 9462 1 13 . 1 1 64 64 THR HA H 64 4.550 4.550 4.524 0.026 11451 9463 1 13 . 1 1 64 64 THR CA C 64 60.554 60.554 61.981 -1.427 11451 9464 1 13 . 1 1 64 64 THR CB C 64 71.700 71.700 69.653 2.047 11451 9465 1 13 . 1 1 64 64 THR H H 64 8.122 8.122 7.880 0.242 11451 9466 1 13 . 1 1 65 65 LYS N N 65 118.451 118.451 125.434 -6.983 11451 9467 1 13 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.481 -0.062 11451 9468 1 13 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.065 0.281 11451 9469 1 13 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.224 -2.742 11451 9470 1 13 . 1 1 65 65 LYS H H 65 7.879 7.879 8.405 -0.526 11451 9471 1 13 . 1 1 66 66 GLU N N 66 118.805 118.805 119.091 -0.286 11451 9472 1 13 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.119 0.038 11451 9473 1 13 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.207 -0.325 11451 9474 1 13 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.282 0.068 11451 9475 1 13 . 1 1 66 66 GLU H H 66 7.872 7.872 8.544 -0.672 11451 9476 1 13 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.407 0.447 11451 9477 1 13 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.437 -1.282 11451 9478 1 13 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.163 0.527 11451 9479 1 13 . 1 1 68 68 ILE N N 68 112.686 112.686 121.253 -8.567 11451 9480 1 13 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.530 -0.093 11451 9481 1 13 . 1 1 68 68 ILE CA C 68 58.971 58.971 58.972 -0.001 11451 9482 1 13 . 1 1 68 68 ILE CB C 68 41.525 41.525 41.601 -0.076 11451 9483 1 13 . 1 1 68 68 ILE H H 68 8.235 8.235 7.689 0.546 11451 9484 1 13 . 1 1 69 69 LYS N N 69 121.199 121.199 121.744 -0.545 11451 9485 1 13 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.670 -0.729 11451 9486 1 13 . 1 1 69 69 LYS CA C 69 55.060 55.060 54.559 0.501 11451 9487 1 13 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.876 -0.736 11451 9488 1 13 . 1 1 69 69 LYS H H 69 7.849 7.849 8.260 -0.411 11451 9489 1 13 . 1 1 70 70 ASN N N 70 126.585 126.585 119.854 6.731 11451 9490 1 13 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.652 -0.430 11451 9491 1 13 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.701 -0.373 11451 9492 1 13 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.375 -1.238 11451 9493 1 13 . 1 1 70 70 ASN H H 70 10.816 10.816 8.849 1.967 11451 9494 1 13 . 1 1 71 71 GLU N N 71 126.223 126.223 124.162 2.061 11451 9495 1 13 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.777 -0.124 11451 9496 1 13 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.711 -1.114 11451 9497 1 13 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.614 0.166 11451 9498 1 13 . 1 1 71 71 GLU H H 71 8.202 8.202 8.809 -0.607 11451 9499 1 13 . 1 1 72 72 ALA N N 72 120.736 120.736 123.084 -2.348 11451 9500 1 13 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.138 0.094 11451 9501 1 13 . 1 1 72 72 ALA CA C 72 55.120 55.120 55.019 0.101 11451 9502 1 13 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.154 -0.648 11451 9503 1 13 . 1 1 72 72 ALA H H 72 9.149 9.149 8.950 0.199 11451 9504 1 13 . 1 1 73 73 ASN N N 73 114.744 114.744 114.475 0.269 11451 9505 1 13 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.149 1.032 11451 9506 1 13 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.222 -0.891 11451 9507 1 13 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.492 -1.816 11451 9508 1 13 . 1 1 73 73 ASN H H 73 7.892 7.892 8.666 -0.774 11451 9509 1 13 . 1 1 74 74 ASN N N 74 119.796 119.796 117.354 2.442 11451 9510 1 13 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.563 -0.184 11451 9511 1 13 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.639 -0.872 11451 9512 1 13 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.606 -0.191 11451 9513 1 13 . 1 1 74 74 ASN H H 74 8.408 8.408 7.275 1.133 11451 9514 1 13 . 1 1 75 75 GLY N N 75 108.891 108.891 107.080 1.811 11451 9515 1 13 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.176 0.451 11451 9516 1 13 . 1 1 75 75 GLY H H 75 7.971 7.971 7.487 0.484 11451 9517 1 13 . 1 1 76 76 LEU N N 76 120.602 120.602 120.134 0.468 11451 9518 1 13 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.296 0.015 11451 9519 1 13 . 1 1 76 76 LEU CA C 76 54.599 54.599 55.361 -0.762 11451 9520 1 13 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.693 -1.605 11451 9521 1 13 . 1 1 76 76 LEU H H 76 7.734 7.734 7.814 -0.080 11451 9522 1 13 . 1 1 77 77 LYS N N 77 121.982 121.982 120.986 0.996 11451 9523 1 13 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.801 -0.351 11451 9524 1 13 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.960 0.041 11451 9525 1 13 . 1 1 77 77 LYS CB C 77 34.700 34.700 36.385 -1.685 11451 9526 1 13 . 1 1 77 77 LYS H H 77 8.161 8.161 8.237 -0.076 11451 9527 1 13 . 1 1 78 78 ASN N N 78 124.764 124.764 121.935 2.829 11451 9528 1 13 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.163 -0.496 11451 9529 1 13 . 1 1 78 78 ASN CA C 78 54.314 54.314 52.699 1.615 11451 9530 1 13 . 1 1 78 78 ASN CB C 78 37.130 37.130 40.437 -3.307 11451 9531 1 13 . 1 1 78 78 ASN H H 78 9.564 9.564 9.384 0.180 11451 9532 1 13 . 1 1 79 79 THR N N 79 114.955 114.955 113.696 1.259 11451 9533 1 13 . 1 1 79 79 THR HA H 79 4.263 4.263 4.925 -0.662 11451 9534 1 13 . 1 1 79 79 THR CA C 79 60.774 60.774 59.895 0.879 11451 9535 1 13 . 1 1 79 79 THR CB C 79 70.347 70.347 71.825 -1.478 11451 9536 1 13 . 1 1 79 79 THR H H 79 8.190 8.190 8.398 -0.208 11451 9537 1 13 . 1 1 80 80 ARG N N 80 124.080 124.080 122.388 1.692 11451 9538 1 13 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.004 -0.801 11451 9539 1 13 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.668 0.819 11451 9540 1 13 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.391 -0.482 11451 9541 1 13 . 1 1 80 80 ARG H H 80 9.203 9.203 8.772 0.431 11451 9542 1 13 . 1 1 81 81 GLY N N 81 115.741 115.741 114.112 1.629 11451 9543 1 13 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.291 -0.220 11451 9544 1 13 . 1 1 81 81 GLY H H 81 8.976 8.976 9.300 -0.324 11451 9545 1 13 . 1 1 82 82 THR N N 82 110.362 110.362 111.247 -0.885 11451 9546 1 13 . 1 1 82 82 THR HA H 82 4.623 4.623 4.656 -0.033 11451 9547 1 13 . 1 1 82 82 THR CA C 82 61.694 61.694 59.826 1.868 11451 9548 1 13 . 1 1 82 82 THR CB C 82 72.230 72.230 71.611 0.619 11451 9549 1 13 . 1 1 82 82 THR H H 82 8.070 8.070 7.595 0.475 11451 9550 1 13 . 1 1 83 83 LEU N N 83 121.341 121.341 122.457 -1.116 11451 9551 1 13 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.306 -0.087 11451 9552 1 13 . 1 1 83 83 LEU CA C 83 54.350 54.350 54.059 0.290 11451 9553 1 13 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.990 -2.471 11451 9554 1 13 . 1 1 83 83 LEU H H 83 7.918 7.918 8.361 -0.443 11451 9555 1 13 . 1 1 84 84 ALA N N 84 121.663 121.663 123.720 -2.057 11451 9556 1 13 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.264 0.253 11451 9557 1 13 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.746 -0.677 11451 9558 1 13 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.629 1.356 11451 9559 1 13 . 1 1 84 84 ALA H H 84 8.053 8.053 7.928 0.125 11451 9560 1 13 . 1 1 85 85 MET N N 85 115.338 115.338 118.895 -3.557 11451 9561 1 13 . 1 1 85 85 MET HA H 85 5.241 5.241 4.803 0.438 11451 9562 1 13 . 1 1 85 85 MET CA C 85 52.707 52.707 52.896 -0.189 11451 9563 1 13 . 1 1 85 85 MET CB C 85 29.801 29.801 32.086 -2.285 11451 9564 1 13 . 1 1 85 85 MET H H 85 7.539 7.539 8.316 -0.777 11451 9565 1 13 . 1 1 86 86 ALA N N 86 126.558 126.558 126.666 -0.108 11451 9566 1 13 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.841 -0.158 11451 9567 1 13 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.278 -0.071 11451 9568 1 13 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.701 -1.285 11451 9569 1 13 . 1 1 86 86 ALA H H 86 8.287 8.287 8.758 -0.471 11451 9570 1 13 . 1 1 87 87 ARG N N 87 113.623 113.623 119.098 -5.475 11451 9571 1 13 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.854 -0.220 11451 9572 1 13 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.058 0.710 11451 9573 1 13 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.497 -2.775 11451 9574 1 13 . 1 1 87 87 ARG H H 87 8.031 8.031 8.404 -0.373 11451 9575 1 13 . 1 1 88 88 THR N N 88 111.627 111.627 115.076 -3.449 11451 9576 1 13 . 1 1 88 88 THR HA H 88 4.624 4.624 4.235 0.389 11451 9577 1 13 . 1 1 88 88 THR CA C 88 60.554 60.554 65.029 -4.475 11451 9578 1 13 . 1 1 88 88 THR CB C 88 68.430 68.430 69.377 -0.947 11451 9579 1 13 . 1 1 88 88 THR H H 88 7.892 7.892 8.577 -0.685 11451 9580 1 13 . 1 1 89 89 GLN N N 89 117.361 117.361 116.304 1.057 11451 9581 1 13 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.543 -0.692 11451 9582 1 13 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.485 2.426 11451 9583 1 13 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.564 -2.194 11451 9584 1 13 . 1 1 89 89 GLN H H 89 8.188 8.188 8.277 -0.090 11451 9585 1 13 . 1 1 90 90 ALA N N 90 122.998 122.998 124.707 -1.709 11451 9586 1 13 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.595 -0.250 11451 9587 1 13 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.356 -0.630 11451 9588 1 13 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.992 -0.819 11451 9589 1 13 . 1 1 90 90 ALA H H 90 7.962 7.962 8.120 -0.158 11451 9590 1 13 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.913 -0.445 11451 9591 1 13 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.328 1.109 11451 9592 1 13 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.329 -1.360 11451 9593 1 13 . 1 1 92 92 HIS N N 92 118.470 118.470 114.157 4.313 11451 9594 1 13 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.955 -0.131 11451 9595 1 13 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.208 -1.007 11451 9596 1 13 . 1 1 92 92 HIS CB C 92 28.309 28.309 28.935 -0.626 11451 9597 1 13 . 1 1 92 92 HIS H H 92 7.977 7.977 7.977 0.000 11451 9598 1 13 . 1 1 93 93 SER N N 93 108.425 108.425 114.702 -6.277 11451 9599 1 13 . 1 1 93 93 SER HA H 93 4.380 4.380 4.629 -0.249 11451 9600 1 13 . 1 1 93 93 SER CA C 93 57.696 57.696 58.000 -0.304 11451 9601 1 13 . 1 1 93 93 SER CB C 93 65.924 65.924 63.908 2.016 11451 9602 1 13 . 1 1 93 93 SER H H 93 6.374 6.374 7.674 -1.300 11451 9603 1 13 . 1 1 94 94 ALA N N 94 130.109 130.109 126.506 3.603 11451 9604 1 13 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.053 -0.777 11451 9605 1 13 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.185 2.988 11451 9606 1 13 . 1 1 94 94 ALA CB C 94 20.366 20.366 18.098 2.268 11451 9607 1 13 . 1 1 94 94 ALA H H 94 8.543 8.543 7.401 1.142 11451 9608 1 13 . 1 1 95 95 THR N N 95 110.794 110.794 114.135 -3.341 11451 9609 1 13 . 1 1 95 95 THR HA H 95 4.722 4.722 4.228 0.494 11451 9610 1 13 . 1 1 95 95 THR CA C 95 59.725 59.725 64.281 -4.556 11451 9611 1 13 . 1 1 95 95 THR CB C 95 70.157 70.157 69.822 0.335 11451 9612 1 13 . 1 1 95 95 THR H H 95 8.925 8.925 7.738 1.187 11451 9613 1 13 . 1 1 96 96 ALA N N 96 121.615 121.615 121.150 0.465 11451 9614 1 13 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.984 -0.557 11451 9615 1 13 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.560 -0.024 11451 9616 1 13 . 1 1 96 96 ALA CB C 96 23.216 23.216 20.516 2.700 11451 9617 1 13 . 1 1 96 96 ALA H H 96 7.954 7.954 8.287 -0.333 11451 9618 1 13 . 1 1 97 97 GLN N N 97 115.548 115.548 120.013 -4.465 11451 9619 1 13 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.737 -0.108 11451 9620 1 13 . 1 1 97 97 GLN CA C 97 57.388 57.388 55.730 1.658 11451 9621 1 13 . 1 1 97 97 GLN CB C 97 30.757 30.757 30.253 0.503 11451 9622 1 13 . 1 1 97 97 GLN H H 97 7.866 7.866 8.246 -0.380 11451 9623 1 13 . 1 1 98 98 PHE N N 98 117.593 117.593 119.606 -2.013 11451 9624 1 13 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.616 0.172 11451 9625 1 13 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.665 -1.010 11451 9626 1 13 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.170 0.055 11451 9627 1 13 . 1 1 98 98 PHE H H 98 7.623 7.623 8.365 -0.742 11451 9628 1 13 . 1 1 99 99 PHE N N 99 116.226 116.226 114.409 1.817 11451 9629 1 13 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.300 0.432 11451 9630 1 13 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.720 -0.671 11451 9631 1 13 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.170 1.850 11451 9632 1 13 . 1 1 99 99 PHE H H 99 9.518 9.518 8.643 0.875 11451 9633 1 13 . 1 1 100 100 ILE N N 100 117.687 117.687 120.345 -2.658 11451 9634 1 13 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.831 -0.004 11451 9635 1 13 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.152 -0.803 11451 9636 1 13 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.729 -0.060 11451 9637 1 13 . 1 1 100 100 ILE H H 100 9.136 9.136 8.756 0.380 11451 9638 1 13 . 1 1 101 101 ASN N N 101 126.524 126.524 128.127 -1.603 11451 9639 1 13 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.731 -0.272 11451 9640 1 13 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.285 2.448 11451 9641 1 13 . 1 1 101 101 ASN CB C 101 39.926 39.926 37.878 2.048 11451 9642 1 13 . 1 1 101 101 ASN H H 101 8.877 8.877 9.237 -0.360 11451 9643 1 13 . 1 1 102 102 VAL N N 102 117.660 117.660 124.828 -7.168 11451 9644 1 13 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.923 0.488 11451 9645 1 13 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.671 -1.764 11451 9646 1 13 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.755 -2.385 11451 9647 1 13 . 1 1 102 102 VAL H H 102 7.700 7.700 7.920 -0.220 11451 9648 1 13 . 1 1 103 103 VAL N N 103 116.637 116.637 112.025 4.612 11451 9649 1 13 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.475 -0.122 11451 9650 1 13 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.795 0.863 11451 9651 1 13 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.267 1.243 11451 9652 1 13 . 1 1 103 103 VAL H H 103 7.753 7.753 7.073 0.680 11451 9653 1 13 . 1 1 104 104 ASP N N 104 118.510 118.510 121.236 -2.726 11451 9654 1 13 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.607 -0.352 11451 9655 1 13 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.074 0.426 11451 9656 1 13 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.337 -2.249 11451 9657 1 13 . 1 1 104 104 ASP H H 104 8.171 8.171 8.556 -0.385 11451 9658 1 13 . 1 1 105 105 ASN N N 105 128.132 128.132 125.244 2.888 11451 9659 1 13 . 1 1 105 105 ASN HA H 105 5.079 5.079 5.070 0.009 11451 9660 1 13 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.280 -0.751 11451 9661 1 13 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.386 -0.251 11451 9662 1 13 . 1 1 105 105 ASN H H 105 8.352 8.352 8.209 0.143 11451 9663 1 13 . 1 1 106 106 ASP N N 106 121.636 121.636 122.848 -1.212 11451 9664 1 13 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.348 -0.077 11451 9665 1 13 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.623 -0.836 11451 9666 1 13 . 1 1 106 106 ASP CB C 106 39.805 39.805 41.139 -1.334 11451 9667 1 13 . 1 1 106 106 ASP H H 106 8.203 8.203 8.993 -0.790 11451 9668 1 13 . 1 1 107 107 PHE N N 107 114.525 114.525 115.311 -0.786 11451 9669 1 13 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.370 0.128 11451 9670 1 13 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.402 -2.007 11451 9671 1 13 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.240 -1.460 11451 9672 1 13 . 1 1 107 107 PHE H H 107 7.388 7.388 8.088 -0.700 11451 9673 1 13 . 1 1 108 108 LEU N N 108 121.576 121.576 118.037 3.539 11451 9674 1 13 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.319 0.147 11451 9675 1 13 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.114 -0.636 11451 9676 1 13 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.164 0.934 11451 9677 1 13 . 1 1 108 108 LEU H H 108 7.163 7.163 7.195 -0.032 11451 9678 1 13 . 1 1 109 109 ASN N N 109 116.121 116.121 117.612 -1.491 11451 9679 1 13 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.861 0.288 11451 9680 1 13 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.240 -0.270 11451 9681 1 13 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.092 -0.973 11451 9682 1 13 . 1 1 109 109 ASN H H 109 7.312 7.312 7.682 -0.370 11451 9683 1 13 . 1 1 110 110 PHE N N 110 124.182 124.182 120.493 3.689 11451 9684 1 13 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.587 -0.335 11451 9685 1 13 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.539 -0.484 11451 9686 1 13 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.131 -0.338 11451 9687 1 13 . 1 1 110 110 PHE H H 110 8.825 8.825 7.983 0.842 11451 9688 1 13 . 1 1 111 111 SER N N 111 122.136 122.136 117.743 4.393 11451 9689 1 13 . 1 1 111 111 SER HA H 111 4.179 4.179 4.324 -0.145 11451 9690 1 13 . 1 1 111 111 SER CA C 111 57.521 57.521 57.859 -0.339 11451 9691 1 13 . 1 1 111 111 SER CB C 111 64.617 64.617 63.902 0.715 11451 9692 1 13 . 1 1 111 111 SER H H 111 9.456 9.456 7.121 2.335 11451 9693 1 13 . 1 1 112 112 GLY N N 112 110.435 110.435 108.053 2.382 11451 9694 1 13 . 1 1 112 112 GLY CA C 112 45.378 45.378 45.454 -0.076 11451 9695 1 13 . 1 1 112 112 GLY H H 112 5.514 5.514 7.140 -1.626 11451 9696 1 13 . 1 1 113 113 GLU N N 113 118.926 118.926 116.793 2.133 11451 9697 1 13 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.312 -0.665 11451 9698 1 13 . 1 1 113 113 GLU CA C 113 54.970 54.970 56.923 -1.953 11451 9699 1 13 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.132 -2.469 11451 9700 1 13 . 1 1 113 113 GLU H H 113 7.862 7.862 8.192 -0.330 11451 9701 1 13 . 1 1 114 114 SER N N 114 119.323 119.323 112.792 6.531 11451 9702 1 13 . 1 1 114 114 SER HA H 114 4.625 4.625 4.825 -0.200 11451 9703 1 13 . 1 1 114 114 SER CA C 114 56.279 56.279 57.267 -0.988 11451 9704 1 13 . 1 1 114 114 SER H H 114 7.621 7.621 7.639 -0.018 11451 9705 1 13 . 1 1 115 115 LEU N N 115 122.373 122.373 125.917 -3.544 11451 9706 1 13 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.116 0.001 11451 9707 1 13 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.563 1.397 11451 9708 1 13 . 1 1 115 115 LEU CB C 115 41.125 41.125 42.027 -0.902 11451 9709 1 13 . 1 1 115 115 LEU H H 115 8.745 8.745 8.929 -0.184 11451 9710 1 13 . 1 1 116 116 GLN N N 116 114.490 114.490 116.087 -1.597 11451 9711 1 13 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.339 -0.077 11451 9712 1 13 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.794 0.334 11451 9713 1 13 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.319 -0.122 11451 9714 1 13 . 1 1 116 116 GLN H H 116 8.292 8.292 8.316 -0.024 11451 9715 1 13 . 1 1 117 117 GLY N N 117 109.729 109.729 109.332 0.397 11451 9716 1 13 . 1 1 117 117 GLY CA C 117 45.541 45.541 45.026 0.515 11451 9717 1 13 . 1 1 117 117 GLY H H 117 7.832 7.832 8.390 -0.558 11451 9718 1 13 . 1 1 118 118 TRP N N 118 123.807 123.807 123.097 0.710 11451 9719 1 13 . 1 1 118 118 TRP HA H 118 4.314 4.314 5.198 -0.884 11451 9720 1 13 . 1 1 118 118 TRP CA C 118 62.294 62.294 53.453 8.841 11451 9721 1 13 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.876 1.291 11451 9722 1 13 . 1 1 118 118 TRP H H 118 7.801 7.801 7.835 -0.034 11451 9723 1 13 . 1 1 119 119 GLY N N 119 124.815 124.815 110.459 14.356 11451 9724 1 13 . 1 1 119 119 GLY CA C 119 45.319 45.319 44.979 0.340 11451 9725 1 13 . 1 1 119 119 GLY H H 119 7.438 7.438 8.164 -0.726 11451 9726 1 13 . 1 1 120 120 TYR N N 120 119.720 119.720 117.505 2.215 11451 9727 1 13 . 1 1 120 120 TYR HA H 120 5.202 5.202 4.988 0.214 11451 9728 1 13 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.137 0.182 11451 9729 1 13 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.389 -2.651 11451 9730 1 13 . 1 1 120 120 TYR H H 120 8.281 8.281 7.763 0.518 11451 9731 1 13 . 1 1 121 121 CYS N N 121 126.117 126.117 122.419 3.698 11451 9732 1 13 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.761 -0.522 11451 9733 1 13 . 1 1 121 121 CYS CA C 121 59.697 59.697 57.986 1.711 11451 9734 1 13 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.482 -0.472 11451 9735 1 13 . 1 1 121 121 CYS H H 121 9.818 9.818 9.211 0.607 11451 9736 1 13 . 1 1 122 122 VAL N N 122 106.168 106.168 130.521 -24.353 11451 9737 1 13 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.281 0.282 11451 9738 1 13 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.464 0.187 11451 9739 1 13 . 1 1 122 122 VAL CB C 122 31.479 31.479 29.756 1.723 11451 9740 1 13 . 1 1 122 122 VAL H H 122 9.382 9.382 8.945 0.437 11451 9741 1 13 . 1 1 123 123 PHE N N 123 118.398 118.398 122.595 -4.197 11451 9742 1 13 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.537 0.324 11451 9743 1 13 . 1 1 123 123 PHE CA C 123 54.939 54.939 58.063 -3.124 11451 9744 1 13 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.411 2.229 11451 9745 1 13 . 1 1 123 123 PHE H H 123 7.842 7.842 7.986 -0.144 11451 9746 1 13 . 1 1 124 124 ALA N N 124 124.412 124.412 118.352 6.060 11451 9747 1 13 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.641 0.009 11451 9748 1 13 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.539 0.219 11451 9749 1 13 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.611 2.023 11451 9750 1 13 . 1 1 124 124 ALA H H 124 7.327 7.327 7.008 0.319 11451 9751 1 13 . 1 1 125 125 GLU N N 125 115.272 115.272 117.151 -1.879 11451 9752 1 13 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.635 0.136 11451 9753 1 13 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.207 0.444 11451 9754 1 13 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.514 -0.744 11451 9755 1 13 . 1 1 125 125 GLU H H 125 8.223 8.223 8.098 0.125 11451 9756 1 13 . 1 1 126 126 VAL N N 126 123.948 123.948 121.476 2.472 11451 9757 1 13 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.934 -0.025 11451 9758 1 13 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.675 -0.410 11451 9759 1 13 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.663 -0.853 11451 9760 1 13 . 1 1 126 126 VAL H H 126 8.786 8.786 8.205 0.581 11451 9761 1 13 . 1 1 127 127 VAL N N 127 123.644 123.644 127.046 -3.402 11451 9762 1 13 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.197 0.153 11451 9763 1 13 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.165 -1.671 11451 9764 1 13 . 1 1 127 127 VAL CB C 127 32.482 32.482 33.036 -0.554 11451 9765 1 13 . 1 1 127 127 VAL H H 127 9.096 9.096 8.974 0.122 11451 9766 1 13 . 1 1 128 128 ASP N N 128 121.165 121.165 119.257 1.908 11451 9767 1 13 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.824 0.098 11451 9768 1 13 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.874 0.527 11451 9769 1 13 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.263 -1.214 11451 9770 1 13 . 1 1 128 128 ASP H H 128 7.719 7.719 7.685 0.034 11451 9771 1 13 . 1 1 129 129 GLY N N 129 110.821 110.821 108.607 2.214 11451 9772 1 13 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.595 0.166 11451 9773 1 13 . 1 1 129 129 GLY H H 129 8.276 8.276 8.951 -0.675 11451 9774 1 13 . 1 1 130 130 MET N N 130 122.991 122.991 120.387 2.604 11451 9775 1 13 . 1 1 130 130 MET HA H 130 4.468 4.468 4.184 0.284 11451 9776 1 13 . 1 1 130 130 MET CA C 130 55.953 55.953 58.036 -2.083 11451 9777 1 13 . 1 1 130 130 MET CB C 130 28.771 28.771 31.447 -2.676 11451 9778 1 13 . 1 1 130 130 MET H H 130 8.945 8.945 8.445 0.500 11451 9779 1 13 . 1 1 131 131 ASP N N 131 117.183 117.183 118.573 -1.390 11451 9780 1 13 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.429 -0.184 11451 9781 1 13 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.145 -0.506 11451 9782 1 13 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.335 -1.657 11451 9783 1 13 . 1 1 131 131 ASP H H 131 8.924 8.924 8.762 0.162 11451 9784 1 13 . 1 1 132 132 VAL N N 132 124.340 124.340 118.904 5.436 11451 9785 1 13 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.782 -0.343 11451 9786 1 13 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.759 0.256 11451 9787 1 13 . 1 1 132 132 VAL CB C 132 30.781 30.781 32.128 -1.347 11451 9788 1 13 . 1 1 132 132 VAL H H 132 7.222 7.222 7.497 -0.275 11451 9789 1 13 . 1 1 133 133 VAL N N 133 121.730 121.730 120.492 1.238 11451 9790 1 13 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.452 -0.434 11451 9791 1 13 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.902 0.174 11451 9792 1 13 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.398 -0.577 11451 9793 1 13 . 1 1 133 133 VAL H H 133 7.367 7.367 7.953 -0.586 11451 9794 1 13 . 1 1 134 134 ASP N N 134 117.555 117.555 116.547 1.008 11451 9795 1 13 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.383 -0.133 11451 9796 1 13 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.461 -0.198 11451 9797 1 13 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.069 -1.256 11451 9798 1 13 . 1 1 134 134 ASP H H 134 8.411 8.411 8.314 0.097 11451 9799 1 13 . 1 1 135 135 LYS N N 135 122.646 122.646 118.927 3.719 11451 9800 1 13 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.223 -0.222 11451 9801 1 13 . 1 1 135 135 LYS CA C 135 58.908 58.908 57.599 1.309 11451 9802 1 13 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.290 -0.280 11451 9803 1 13 . 1 1 135 135 LYS H H 135 7.418 7.418 7.378 0.040 11451 9804 1 13 . 1 1 136 136 ILE N N 136 121.613 121.613 118.974 2.639 11451 9805 1 13 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.495 -0.433 11451 9806 1 13 . 1 1 136 136 ILE CA C 136 65.307 65.307 65.123 0.184 11451 9807 1 13 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.786 -0.487 11451 9808 1 13 . 1 1 136 136 ILE H H 136 8.075 8.075 8.238 -0.163 11451 9809 1 13 . 1 1 137 137 LYS N N 137 113.499 113.499 115.621 -2.122 11451 9810 1 13 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.164 -0.420 11451 9811 1 13 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.594 0.294 11451 9812 1 13 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.179 -0.824 11451 9813 1 13 . 1 1 137 137 LYS H H 137 7.976 7.976 7.663 0.313 11451 9814 1 13 . 1 1 138 138 GLY N N 138 104.829 104.829 106.999 -2.170 11451 9815 1 13 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.206 -1.025 11451 9816 1 13 . 1 1 138 138 GLY H H 138 6.858 6.858 7.562 -0.704 11451 9817 1 13 . 1 1 139 139 VAL N N 139 116.189 116.189 117.122 -0.933 11451 9818 1 13 . 1 1 139 139 VAL HA H 139 4.083 4.083 4.000 0.083 11451 9819 1 13 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.124 -2.380 11451 9820 1 13 . 1 1 139 139 VAL CB C 139 32.850 32.850 32.336 0.514 11451 9821 1 13 . 1 1 139 139 VAL H H 139 7.220 7.220 7.738 -0.518 11451 9822 1 13 . 1 1 140 140 ALA N N 140 123.097 123.097 121.714 1.383 11451 9823 1 13 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.671 -0.389 11451 9824 1 13 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.468 0.382 11451 9825 1 13 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.477 -2.105 11451 9826 1 13 . 1 1 140 140 ALA H H 140 8.262 8.262 8.022 0.240 11451 9827 1 13 . 1 1 141 141 THR N N 141 113.326 113.326 112.970 0.356 11451 9828 1 13 . 1 1 141 141 THR HA H 141 4.925 4.925 4.794 0.131 11451 9829 1 13 . 1 1 141 141 THR CA C 141 59.382 59.382 60.926 -1.544 11451 9830 1 13 . 1 1 141 141 THR CB C 141 73.286 73.286 71.855 1.431 11451 9831 1 13 . 1 1 141 141 THR H H 141 8.278 8.278 7.949 0.329 11451 9832 1 13 . 1 1 142 142 GLY N N 142 107.299 107.299 110.637 -3.338 11451 9833 1 13 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.635 -0.463 11451 9834 1 13 . 1 1 142 142 GLY H H 142 8.484 8.484 8.411 0.073 11451 9835 1 13 . 1 1 143 143 ARG N N 143 120.230 120.230 120.766 -0.536 11451 9836 1 13 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.232 0.565 11451 9837 1 13 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.559 -1.359 11451 9838 1 13 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.745 0.606 11451 9839 1 13 . 1 1 143 143 ARG H H 143 8.185 8.185 8.160 0.025 11451 9840 1 13 . 1 1 144 144 SER N N 144 119.429 119.429 117.017 2.412 11451 9841 1 13 . 1 1 144 144 SER HA H 144 4.466 4.466 4.704 -0.238 11451 9842 1 13 . 1 1 144 144 SER CA C 144 56.856 56.856 56.671 0.185 11451 9843 1 13 . 1 1 144 144 SER CB C 144 63.174 63.174 64.534 -1.360 11451 9844 1 13 . 1 1 144 144 SER H H 144 8.427 8.427 8.423 0.004 11451 9845 1 13 . 1 1 145 145 GLY N N 145 117.736 117.736 111.903 5.833 11451 9846 1 13 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.834 -0.148 11451 9847 1 13 . 1 1 145 145 GLY H H 145 8.902 8.902 8.872 0.030 11451 9848 1 13 . 1 1 146 146 MET N N 146 125.723 125.723 119.228 6.495 11451 9849 1 13 . 1 1 146 146 MET HA H 146 4.315 4.315 4.391 -0.076 11451 9850 1 13 . 1 1 146 146 MET CA C 146 55.431 55.431 55.998 -0.567 11451 9851 1 13 . 1 1 146 146 MET H H 146 8.827 8.827 7.573 1.254 11451 9852 1 13 . 1 1 147 147 HIS N N 147 121.581 121.581 116.343 5.238 11451 9853 1 13 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.892 -0.468 11451 9854 1 13 . 1 1 147 147 HIS CA C 147 56.075 56.075 54.910 1.165 11451 9855 1 13 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.068 -0.475 11451 9856 1 13 . 1 1 147 147 HIS H H 147 8.010 8.010 7.992 0.018 11451 9857 1 13 . 1 1 148 148 GLN N N 148 121.305 121.305 123.074 -1.769 11451 9858 1 13 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.429 0.041 11451 9859 1 13 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.729 -1.265 11451 9860 1 13 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.235 1.456 11451 9861 1 13 . 1 1 148 148 GLN H H 148 8.681 8.681 8.777 -0.096 11451 9862 1 13 . 1 1 149 149 ASP N N 149 117.085 117.085 118.004 -0.919 11451 9863 1 13 . 1 1 149 149 ASP CB C 149 39.479 39.479 38.841 0.638 11451 9864 1 13 . 1 1 149 149 ASP H H 149 8.635 8.635 8.898 -0.263 11451 9865 1 13 . 1 1 150 150 VAL N N 150 120.313 120.313 110.994 9.319 11451 9866 1 13 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.823 -0.444 11451 9867 1 13 . 1 1 150 150 VAL CA C 150 59.168 59.168 57.924 1.244 11451 9868 1 13 . 1 1 150 150 VAL CB C 150 33.080 33.080 35.168 -2.088 11451 9869 1 13 . 1 1 150 150 VAL H H 150 8.470 8.470 7.597 0.873 11451 9870 1 13 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.668 -0.254 11451 9871 1 13 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.633 1.302 11451 9872 1 13 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.223 -0.047 11451 9873 1 13 . 1 1 152 152 LYS N N 152 125.675 125.675 121.690 3.985 11451 9874 1 13 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.246 -0.375 11451 9875 1 13 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.232 1.369 11451 9876 1 13 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.822 -1.037 11451 9877 1 13 . 1 1 152 152 LYS H H 152 8.169 8.169 8.257 -0.088 11451 9878 1 13 . 1 1 153 153 GLU N N 153 119.081 119.081 121.164 -2.083 11451 9879 1 13 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.336 0.059 11451 9880 1 13 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.288 -1.072 11451 9881 1 13 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.599 0.139 11451 9882 1 13 . 1 1 153 153 GLU H H 153 7.960 7.960 8.213 -0.253 11451 9883 1 13 . 1 1 154 154 ASP N N 154 121.884 121.884 121.047 0.837 11451 9884 1 13 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.570 -0.338 11451 9885 1 13 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.695 2.405 11451 9886 1 13 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.685 -0.145 11451 9887 1 13 . 1 1 154 154 ASP H H 154 8.149 8.149 8.602 -0.453 11451 9888 1 13 . 1 1 155 155 VAL N N 155 129.777 129.777 125.710 4.067 11451 9889 1 13 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.510 -0.071 11451 9890 1 13 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.946 0.365 11451 9891 1 13 . 1 1 155 155 VAL CB C 155 31.469 31.469 31.858 -0.389 11451 9892 1 13 . 1 1 155 155 VAL H H 155 10.043 10.043 8.652 1.391 11451 9893 1 13 . 1 1 156 156 ILE N N 156 125.807 125.807 123.067 2.740 11451 9894 1 13 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.318 -0.906 11451 9895 1 13 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.623 2.062 11451 9896 1 13 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.646 0.268 11451 9897 1 13 . 1 1 156 156 ILE H H 156 8.252 8.252 9.196 -0.944 11451 9898 1 13 . 1 1 157 157 ILE N N 157 126.581 126.581 126.460 0.121 11451 9899 1 13 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.204 -0.525 11451 9900 1 13 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.919 0.587 11451 9901 1 13 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.409 -0.037 11451 9902 1 13 . 1 1 157 157 ILE H H 157 9.168 9.168 9.044 0.124 11451 9903 1 13 . 1 1 158 158 GLU N N 158 130.185 130.185 128.483 1.702 11451 9904 1 13 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.203 -0.163 11451 9905 1 13 . 1 1 158 158 GLU CA C 158 58.906 58.906 59.027 -0.121 11451 9906 1 13 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.639 -0.641 11451 9907 1 13 . 1 1 158 158 GLU H H 158 8.910 8.910 8.580 0.330 11451 9908 1 13 . 1 1 159 159 SER N N 159 108.037 108.037 111.241 -3.204 11451 9909 1 13 . 1 1 159 159 SER HA H 159 4.399 4.399 4.912 -0.513 11451 9910 1 13 . 1 1 159 159 SER CA C 159 57.505 57.505 57.505 0.000 11451 9911 1 13 . 1 1 159 159 SER CB C 159 64.403 64.403 65.433 -1.030 11451 9912 1 13 . 1 1 159 159 SER H H 159 7.772 7.772 8.321 -0.549 11451 9913 1 13 . 1 1 160 160 VAL N N 160 119.790 119.790 121.787 -1.997 11451 9914 1 13 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.273 -0.098 11451 9915 1 13 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.846 -0.281 11451 9916 1 13 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.929 -0.914 11451 9917 1 13 . 1 1 160 160 VAL H H 160 7.681 7.681 8.233 -0.552 11451 9918 1 13 . 1 1 161 161 THR N N 161 122.628 122.628 121.505 1.123 11451 9919 1 13 . 1 1 161 161 THR HA H 161 4.662 4.662 4.782 -0.120 11451 9920 1 13 . 1 1 161 161 THR CA C 161 61.452 61.452 61.100 0.352 11451 9921 1 13 . 1 1 161 161 THR CB C 161 70.781 70.781 71.568 -0.787 11451 9922 1 13 . 1 1 161 161 THR H H 161 8.817 8.817 9.143 -0.326 11451 9923 1 13 . 1 1 162 162 VAL N N 162 129.304 129.304 128.053 1.251 11451 9924 1 13 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.328 0.159 11451 9925 1 13 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.471 -0.714 11451 9926 1 13 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.521 -0.039 11451 9927 1 13 . 1 1 162 162 VAL H H 162 9.075 9.075 8.722 0.353 11451 9928 1 13 . 1 1 163 163 SER N N 163 123.979 123.979 123.523 0.456 11451 9929 1 13 . 1 1 163 163 SER HA H 163 4.601 4.601 4.709 -0.108 11451 9930 1 13 . 1 1 163 163 SER CA C 163 57.521 57.521 56.522 0.999 11451 9931 1 13 . 1 1 163 163 SER CB C 163 64.409 64.409 64.573 -0.164 11451 9932 1 13 . 1 1 163 163 SER H H 163 8.727 8.727 8.587 0.140 11451 9933 1 14 . 1 1 2 2 VAL N N 2 123.776 123.776 120.630 3.146 11451 9934 1 14 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.768 0.007 11451 9935 1 14 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.731 0.293 11451 9936 1 14 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.039 1.092 11451 9937 1 14 . 1 1 2 2 VAL H H 2 8.961 8.961 8.857 0.104 11451 9938 1 14 . 1 1 3 3 THR N N 3 121.749 121.749 124.490 -2.741 11451 9939 1 14 . 1 1 3 3 THR HA H 3 5.053 5.053 4.837 0.216 11451 9940 1 14 . 1 1 3 3 THR CA C 3 61.176 61.176 61.817 -0.641 11451 9941 1 14 . 1 1 3 3 THR CB C 3 70.356 70.356 69.804 0.552 11451 9942 1 14 . 1 1 3 3 THR H H 3 8.912 8.912 9.142 -0.230 11451 9943 1 14 . 1 1 4 4 PHE N N 4 125.726 125.726 126.652 -0.926 11451 9944 1 14 . 1 1 4 4 PHE HA H 4 4.795 4.795 5.067 -0.272 11451 9945 1 14 . 1 1 4 4 PHE CA C 4 54.011 54.011 54.670 -0.659 11451 9946 1 14 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.972 -1.251 11451 9947 1 14 . 1 1 4 4 PHE H H 4 9.442 9.442 9.159 0.283 11451 9948 1 14 . 1 1 5 5 HIS N N 5 125.337 125.337 124.942 0.395 11451 9949 1 14 . 1 1 5 5 HIS HA H 5 5.349 5.349 4.996 0.353 11451 9950 1 14 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.175 -0.867 11451 9951 1 14 . 1 1 5 5 HIS CB C 5 26.517 26.517 29.394 -2.877 11451 9952 1 14 . 1 1 5 5 HIS H H 5 8.897 8.897 9.494 -0.597 11451 9953 1 14 . 1 1 6 6 THR N N 6 115.752 115.752 116.637 -0.885 11451 9954 1 14 . 1 1 6 6 THR HA H 6 6.126 6.126 4.994 1.132 11451 9955 1 14 . 1 1 6 6 THR CA C 6 60.220 60.220 59.530 0.690 11451 9956 1 14 . 1 1 6 6 THR CB C 6 72.515 72.515 71.174 1.341 11451 9957 1 14 . 1 1 6 6 THR H H 6 7.881 7.881 8.261 -0.380 11451 9958 1 14 . 1 1 7 7 ASN N N 7 119.451 119.451 123.332 -3.881 11451 9959 1 14 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.566 0.009 11451 9960 1 14 . 1 1 7 7 ASN CA C 7 54.493 54.493 55.187 -0.694 11451 9961 1 14 . 1 1 7 7 ASN CB C 7 35.334 35.334 37.865 -2.531 11451 9962 1 14 . 1 1 7 7 ASN H H 7 9.334 9.334 8.855 0.479 11451 9963 1 14 . 1 1 8 8 HIS N N 8 118.490 118.490 117.801 0.689 11451 9964 1 14 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.705 -0.214 11451 9965 1 14 . 1 1 8 8 HIS CA C 8 56.790 56.790 57.416 -0.625 11451 9966 1 14 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.594 1.040 11451 9967 1 14 . 1 1 8 8 HIS H H 8 8.663 8.663 7.680 0.983 11451 9968 1 14 . 1 1 9 9 GLY N N 9 108.550 108.550 105.681 2.869 11451 9969 1 14 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.458 -0.858 11451 9970 1 14 . 1 1 9 9 GLY H H 9 7.320 7.320 7.682 -0.362 11451 9971 1 14 . 1 1 10 10 ASP N N 10 123.900 123.900 121.389 2.511 11451 9972 1 14 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.274 0.346 11451 9973 1 14 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.573 -0.263 11451 9974 1 14 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.896 -0.396 11451 9975 1 14 . 1 1 10 10 ASP H H 10 8.857 8.857 8.488 0.369 11451 9976 1 14 . 1 1 11 11 ILE N N 11 121.150 121.150 123.587 -2.437 11451 9977 1 14 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.582 -0.246 11451 9978 1 14 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.085 1.191 11451 9979 1 14 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.089 -0.430 11451 9980 1 14 . 1 1 11 11 ILE H H 11 8.638 8.638 8.858 -0.220 11451 9981 1 14 . 1 1 12 12 VAL N N 12 129.487 129.487 125.030 4.457 11451 9982 1 14 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.721 -0.190 11451 9983 1 14 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.548 1.762 11451 9984 1 14 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.387 -2.145 11451 9985 1 14 . 1 1 12 12 VAL H H 12 8.771 8.771 8.893 -0.122 11451 9986 1 14 . 1 1 13 13 ILE N N 13 127.702 127.702 126.338 1.364 11451 9987 1 14 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.729 -0.059 11451 9988 1 14 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.641 0.097 11451 9989 1 14 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.599 -0.040 11451 9990 1 14 . 1 1 13 13 ILE H H 13 9.527 9.527 9.034 0.493 11451 9991 1 14 . 1 1 14 14 LYS N N 14 126.574 126.574 126.334 0.240 11451 9992 1 14 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.602 0.175 11451 9993 1 14 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.460 -0.617 11451 9994 1 14 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.877 0.623 11451 9995 1 14 . 1 1 14 14 LYS H H 14 8.684 8.684 8.714 -0.030 11451 9996 1 14 . 1 1 15 15 THR N N 15 113.811 113.811 117.178 -3.367 11451 9997 1 14 . 1 1 15 15 THR HA H 15 4.130 4.130 4.293 -0.163 11451 9998 1 14 . 1 1 15 15 THR CA C 15 59.806 59.806 60.524 -0.718 11451 9999 1 14 . 1 1 15 15 THR CB C 15 69.319 69.319 69.733 -0.414 11451 10000 1 14 . 1 1 15 15 THR H H 15 8.343 8.343 8.368 -0.025 11451 10001 1 14 . 1 1 16 16 PHE N N 16 122.611 122.611 124.038 -1.427 11451 10002 1 14 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.794 0.481 11451 10003 1 14 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.760 -1.470 11451 10004 1 14 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.758 -0.389 11451 10005 1 14 . 1 1 16 16 PHE H H 16 8.315 8.315 8.908 -0.593 11451 10006 1 14 . 1 1 17 17 ASP N N 17 120.182 120.182 123.202 -3.020 11451 10007 1 14 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.564 -0.802 11451 10008 1 14 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.559 0.399 11451 10009 1 14 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.957 -2.008 11451 10010 1 14 . 1 1 17 17 ASP H H 17 9.106 9.106 8.169 0.937 11451 10011 1 14 . 1 1 18 18 ASP N N 18 111.686 111.686 118.598 -6.912 11451 10012 1 14 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.525 -0.150 11451 10013 1 14 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.278 -1.255 11451 10014 1 14 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.687 -0.924 11451 10015 1 14 . 1 1 18 18 ASP H H 18 8.584 8.584 8.660 -0.076 11451 10016 1 14 . 1 1 19 19 LYS N N 19 118.003 118.003 117.055 0.948 11451 10017 1 14 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.387 0.049 11451 10018 1 14 . 1 1 19 19 LYS CA C 19 55.387 55.387 56.115 -0.728 11451 10019 1 14 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.927 -0.060 11451 10020 1 14 . 1 1 19 19 LYS H H 19 7.333 7.333 7.460 -0.127 11451 10021 1 14 . 1 1 20 20 ALA N N 20 123.657 123.657 121.738 1.919 11451 10022 1 14 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.164 -0.546 11451 10023 1 14 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.786 -0.669 11451 10024 1 14 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.914 -0.679 11451 10025 1 14 . 1 1 20 20 ALA H H 20 7.560 7.560 8.262 -0.702 11451 10026 1 14 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.284 0.140 11451 10027 1 14 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.635 0.642 11451 10028 1 14 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.796 -0.288 11451 10029 1 14 . 1 1 22 22 GLU N N 22 122.557 122.557 118.385 4.172 11451 10030 1 14 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.152 -0.140 11451 10031 1 14 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.197 0.428 11451 10032 1 14 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.929 -0.449 11451 10033 1 14 . 1 1 22 22 GLU H H 22 9.855 9.855 8.165 1.690 11451 10034 1 14 . 1 1 23 23 THR N N 23 122.201 122.201 117.579 4.622 11451 10035 1 14 . 1 1 23 23 THR HA H 23 3.584 3.584 4.078 -0.494 11451 10036 1 14 . 1 1 23 23 THR CA C 23 66.554 66.554 67.054 -0.500 11451 10037 1 14 . 1 1 23 23 THR CB C 23 67.614 67.614 68.768 -1.154 11451 10038 1 14 . 1 1 23 23 THR H H 23 9.390 9.390 8.785 0.605 11451 10039 1 14 . 1 1 24 24 VAL N N 24 125.111 125.111 121.819 3.292 11451 10040 1 14 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.820 -0.335 11451 10041 1 14 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.975 1.332 11451 10042 1 14 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.206 -0.317 11451 10043 1 14 . 1 1 24 24 VAL H H 24 9.359 9.359 8.658 0.701 11451 10044 1 14 . 1 1 25 25 LYS N N 25 121.050 121.050 120.408 0.642 11451 10045 1 14 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.995 -0.127 11451 10046 1 14 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.382 0.857 11451 10047 1 14 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.972 -0.275 11451 10048 1 14 . 1 1 25 25 LYS H H 25 7.686 7.686 8.462 -0.776 11451 10049 1 14 . 1 1 26 26 ASN N N 26 116.337 116.337 117.832 -1.495 11451 10050 1 14 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.421 -0.365 11451 10051 1 14 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.249 0.310 11451 10052 1 14 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.472 2.220 11451 10053 1 14 . 1 1 26 26 ASN H H 26 7.535 7.535 7.889 -0.354 11451 10054 1 14 . 1 1 27 27 PHE N N 27 119.858 119.858 121.372 -1.514 11451 10055 1 14 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.435 0.104 11451 10056 1 14 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.551 -0.618 11451 10057 1 14 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.107 0.724 11451 10058 1 14 . 1 1 27 27 PHE H H 27 7.867 7.867 8.283 -0.416 11451 10059 1 14 . 1 1 28 28 LEU N N 28 120.761 120.761 119.862 0.899 11451 10060 1 14 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.776 -0.033 11451 10061 1 14 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.145 -0.278 11451 10062 1 14 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.347 -0.093 11451 10063 1 14 . 1 1 28 28 LEU H H 28 9.377 9.377 8.779 0.598 11451 10064 1 14 . 1 1 29 29 ASP N N 29 121.607 121.607 119.203 2.404 11451 10065 1 14 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.289 0.006 11451 10066 1 14 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.608 0.220 11451 10067 1 14 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.335 -1.309 11451 10068 1 14 . 1 1 29 29 ASP H H 29 8.374 8.374 8.438 -0.064 11451 10069 1 14 . 1 1 30 30 TYR N N 30 118.959 118.959 119.366 -0.407 11451 10070 1 14 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.313 -0.308 11451 10071 1 14 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.674 0.073 11451 10072 1 14 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.316 -0.578 11451 10073 1 14 . 1 1 30 30 TYR H H 30 7.287 7.287 7.539 -0.252 11451 10074 1 14 . 1 1 31 31 CYS N N 31 116.202 116.202 118.186 -1.984 11451 10075 1 14 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.211 -0.177 11451 10076 1 14 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.604 0.799 11451 10077 1 14 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.389 -0.168 11451 10078 1 14 . 1 1 31 31 CYS H H 31 8.336 8.336 8.174 0.162 11451 10079 1 14 . 1 1 32 32 ARG N N 32 121.949 121.949 120.310 1.639 11451 10080 1 14 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.119 -0.257 11451 10081 1 14 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.632 1.087 11451 10082 1 14 . 1 1 32 32 ARG CB C 32 30.374 30.374 29.952 0.422 11451 10083 1 14 . 1 1 32 32 ARG H H 32 9.077 9.077 8.240 0.837 11451 10084 1 14 . 1 1 33 33 GLU N N 33 116.667 116.667 116.984 -0.317 11451 10085 1 14 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.331 -0.144 11451 10086 1 14 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.551 -0.103 11451 10087 1 14 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.531 -0.273 11451 10088 1 14 . 1 1 33 33 GLU H H 33 7.920 7.920 7.870 0.050 11451 10089 1 14 . 1 1 34 34 GLY N N 34 107.273 107.273 106.585 0.688 11451 10090 1 14 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.167 0.231 11451 10091 1 14 . 1 1 34 34 GLY H H 34 7.533 7.533 7.544 -0.011 11451 10092 1 14 . 1 1 35 35 PHE N N 35 122.134 122.134 121.423 0.711 11451 10093 1 14 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.263 -0.598 11451 10094 1 14 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.422 2.183 11451 10095 1 14 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.686 0.384 11451 10096 1 14 . 1 1 35 35 PHE H H 35 8.129 8.129 8.598 -0.469 11451 10097 1 14 . 1 1 36 36 TYR N N 36 111.250 111.250 114.829 -3.579 11451 10098 1 14 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.377 -0.053 11451 10099 1 14 . 1 1 36 36 TYR CA C 36 57.678 57.678 57.426 0.252 11451 10100 1 14 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.558 -1.098 11451 10101 1 14 . 1 1 36 36 TYR H H 36 7.355 7.355 8.230 -0.875 11451 10102 1 14 . 1 1 37 37 ASN N N 37 121.890 121.890 119.932 1.958 11451 10103 1 14 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.538 -0.713 11451 10104 1 14 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.233 -0.054 11451 10105 1 14 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.660 -2.805 11451 10106 1 14 . 1 1 37 37 ASN H H 37 7.106 7.106 7.475 -0.369 11451 10107 1 14 . 1 1 38 38 ASN N N 38 121.572 121.572 121.908 -0.336 11451 10108 1 14 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.408 -0.360 11451 10109 1 14 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.564 0.156 11451 10110 1 14 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.783 0.755 11451 10111 1 14 . 1 1 38 38 ASN H H 38 9.235 9.235 8.664 0.571 11451 10112 1 14 . 1 1 39 39 THR N N 39 104.540 104.540 107.129 -2.589 11451 10113 1 14 . 1 1 39 39 THR HA H 39 5.006 5.006 5.229 -0.223 11451 10114 1 14 . 1 1 39 39 THR CA C 39 59.979 59.979 59.722 0.257 11451 10115 1 14 . 1 1 39 39 THR CB C 39 72.789 72.789 71.394 1.395 11451 10116 1 14 . 1 1 39 39 THR H H 39 7.328 7.328 7.400 -0.072 11451 10117 1 14 . 1 1 40 40 ILE N N 40 108.904 108.904 115.922 -7.018 11451 10118 1 14 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.112 0.557 11451 10119 1 14 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.652 0.148 11451 10120 1 14 . 1 1 40 40 ILE CB C 40 39.724 39.724 41.069 -1.345 11451 10121 1 14 . 1 1 40 40 ILE H H 40 7.943 7.943 8.639 -0.696 11451 10122 1 14 . 1 1 41 41 PHE N N 41 122.068 122.068 121.761 0.307 11451 10123 1 14 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.850 0.110 11451 10124 1 14 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.697 1.120 11451 10125 1 14 . 1 1 41 41 PHE CB C 41 37.410 37.410 38.831 -1.421 11451 10126 1 14 . 1 1 41 41 PHE H H 41 8.289 8.289 8.383 -0.094 11451 10127 1 14 . 1 1 42 42 HIS N N 42 121.477 121.477 118.542 2.935 11451 10128 1 14 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.581 -0.305 11451 10129 1 14 . 1 1 42 42 HIS CA C 42 56.598 56.598 55.892 0.706 11451 10130 1 14 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.238 1.425 11451 10131 1 14 . 1 1 42 42 HIS H H 42 7.862 7.862 8.041 -0.179 11451 10132 1 14 . 1 1 43 43 ARG N N 43 123.403 123.403 118.227 5.176 11451 10133 1 14 . 1 1 43 43 ARG HA H 43 4.616 4.616 5.167 -0.551 11451 10134 1 14 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.350 0.968 11451 10135 1 14 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.816 -1.541 11451 10136 1 14 . 1 1 43 43 ARG H H 43 6.933 6.933 7.311 -0.378 11451 10137 1 14 . 1 1 44 44 VAL N N 44 129.359 129.359 123.443 5.916 11451 10138 1 14 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.436 -0.296 11451 10139 1 14 . 1 1 44 44 VAL CA C 44 62.374 62.374 60.623 1.751 11451 10140 1 14 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.133 0.058 11451 10141 1 14 . 1 1 44 44 VAL H H 44 9.023 9.023 8.734 0.289 11451 10142 1 14 . 1 1 45 45 ILE N N 45 126.532 126.532 124.950 1.582 11451 10143 1 14 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.473 -0.237 11451 10144 1 14 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.736 0.728 11451 10145 1 14 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.010 -2.060 11451 10146 1 14 . 1 1 45 45 ILE H H 45 8.243 8.243 8.024 0.219 11451 10147 1 14 . 1 1 46 46 ASN N N 46 128.015 128.015 127.515 0.500 11451 10148 1 14 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.560 -0.399 11451 10149 1 14 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.160 0.181 11451 10150 1 14 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.594 -1.920 11451 10151 1 14 . 1 1 46 46 ASN H H 46 9.127 9.127 8.752 0.376 11451 10152 1 14 . 1 1 47 47 GLY N N 47 110.314 110.314 107.395 2.919 11451 10153 1 14 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.493 0.137 11451 10154 1 14 . 1 1 47 47 GLY H H 47 7.542 7.542 8.857 -1.315 11451 10155 1 14 . 1 1 48 48 PHE N N 48 116.701 116.701 118.875 -2.174 11451 10156 1 14 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.837 0.305 11451 10157 1 14 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.218 1.282 11451 10158 1 14 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.187 -2.859 11451 10159 1 14 . 1 1 48 48 PHE H H 48 7.800 7.800 7.823 -0.023 11451 10160 1 14 . 1 1 49 49 MET N N 49 117.710 117.710 117.763 -0.053 11451 10161 1 14 . 1 1 49 49 MET HA H 49 5.027 5.027 4.550 0.477 11451 10162 1 14 . 1 1 49 49 MET CA C 49 55.009 55.009 53.059 1.950 11451 10163 1 14 . 1 1 49 49 MET CB C 49 35.120 35.120 33.459 1.661 11451 10164 1 14 . 1 1 49 49 MET H H 49 8.363 8.363 6.936 1.427 11451 10165 1 14 . 1 1 50 50 ILE N N 50 110.774 110.774 113.246 -2.472 11451 10166 1 14 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.848 0.019 11451 10167 1 14 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.269 0.466 11451 10168 1 14 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.731 -0.470 11451 10169 1 14 . 1 1 50 50 ILE H H 50 7.749 7.749 7.768 -0.019 11451 10170 1 14 . 1 1 51 51 GLN N N 51 127.997 127.997 125.288 2.709 11451 10171 1 14 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.853 0.348 11451 10172 1 14 . 1 1 51 51 GLN CA C 51 54.052 54.052 54.081 -0.029 11451 10173 1 14 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.396 -0.712 11451 10174 1 14 . 1 1 51 51 GLN H H 51 9.198 9.198 7.930 1.268 11451 10175 1 14 . 1 1 52 52 GLY N N 52 111.413 111.413 107.765 3.648 11451 10176 1 14 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.232 1.061 11451 10177 1 14 . 1 1 52 52 GLY H H 52 8.037 8.037 8.225 -0.188 11451 10178 1 14 . 1 1 53 53 GLY N N 53 106.177 106.177 106.190 -0.013 11451 10179 1 14 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.319 -0.242 11451 10180 1 14 . 1 1 53 53 GLY H H 53 8.334 8.334 8.255 0.079 11451 10181 1 14 . 1 1 54 54 GLY N N 54 129.939 129.939 106.722 23.217 11451 10182 1 14 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.236 0.175 11451 10183 1 14 . 1 1 54 54 GLY H H 54 9.068 9.068 8.540 0.528 11451 10184 1 14 . 1 1 55 55 PHE N N 55 121.195 121.195 116.183 5.012 11451 10185 1 14 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.918 -0.031 11451 10186 1 14 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.279 0.419 11451 10187 1 14 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.416 -0.570 11451 10188 1 14 . 1 1 55 55 PHE H H 55 9.329 9.329 7.208 2.121 11451 10189 1 14 . 1 1 56 56 GLU N N 56 120.126 120.126 120.122 0.004 11451 10190 1 14 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.039 -0.191 11451 10191 1 14 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.657 0.542 11451 10192 1 14 . 1 1 56 56 GLU CB C 56 29.452 29.452 29.950 -0.497 11451 10193 1 14 . 1 1 56 56 GLU H H 56 8.531 8.531 8.170 0.361 11451 10194 1 14 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.309 -0.319 11451 10195 1 14 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.638 0.225 11451 10196 1 14 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.589 -0.721 11451 10197 1 14 . 1 1 58 58 GLY N N 58 113.477 113.477 104.515 8.962 11451 10198 1 14 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.187 0.179 11451 10199 1 14 . 1 1 58 58 GLY H H 58 9.454 9.454 7.918 1.536 11451 10200 1 14 . 1 1 59 59 MET N N 59 114.007 114.007 116.605 -2.598 11451 10201 1 14 . 1 1 59 59 MET HA H 59 3.946 3.946 3.706 0.240 11451 10202 1 14 . 1 1 59 59 MET CA C 59 54.650 54.650 56.149 -1.499 11451 10203 1 14 . 1 1 59 59 MET CB C 59 25.875 25.875 29.213 -3.338 11451 10204 1 14 . 1 1 59 59 MET H H 59 8.027 8.027 7.821 0.206 11451 10205 1 14 . 1 1 60 60 LYS N N 60 120.420 120.420 120.598 -0.178 11451 10206 1 14 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.441 0.025 11451 10207 1 14 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.723 -0.765 11451 10208 1 14 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.940 -0.630 11451 10209 1 14 . 1 1 60 60 LYS H H 60 6.996 6.996 7.635 -0.639 11451 10210 1 14 . 1 1 61 61 GLN N N 61 130.250 130.250 126.198 4.052 11451 10211 1 14 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.306 -0.920 11451 10212 1 14 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.150 0.629 11451 10213 1 14 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.471 -1.030 11451 10214 1 14 . 1 1 61 61 GLN H H 61 8.965 8.965 8.780 0.185 11451 10215 1 14 . 1 1 62 62 LYS N N 62 126.196 126.196 126.748 -0.552 11451 10216 1 14 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.274 -0.144 11451 10217 1 14 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.803 0.886 11451 10218 1 14 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.523 0.249 11451 10219 1 14 . 1 1 62 62 LYS H H 62 7.323 7.323 8.295 -0.972 11451 10220 1 14 . 1 1 63 63 ALA N N 63 127.588 127.588 124.153 3.435 11451 10221 1 14 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.550 -0.266 11451 10222 1 14 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.332 1.313 11451 10223 1 14 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.687 0.686 11451 10224 1 14 . 1 1 63 63 ALA H H 63 8.458 8.458 8.528 -0.070 11451 10225 1 14 . 1 1 64 64 THR N N 64 111.370 111.370 113.851 -2.481 11451 10226 1 14 . 1 1 64 64 THR HA H 64 4.550 4.550 4.206 0.344 11451 10227 1 14 . 1 1 64 64 THR CA C 64 60.554 60.554 62.311 -1.757 11451 10228 1 14 . 1 1 64 64 THR CB C 64 71.700 71.700 69.716 1.984 11451 10229 1 14 . 1 1 64 64 THR H H 64 8.122 8.122 7.776 0.346 11451 10230 1 14 . 1 1 65 65 LYS N N 65 118.451 118.451 124.125 -5.674 11451 10231 1 14 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.513 -0.094 11451 10232 1 14 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.247 0.099 11451 10233 1 14 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.403 -2.921 11451 10234 1 14 . 1 1 65 65 LYS H H 65 7.879 7.879 8.148 -0.269 11451 10235 1 14 . 1 1 66 66 GLU N N 66 118.805 118.805 119.491 -0.686 11451 10236 1 14 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.156 0.001 11451 10237 1 14 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.588 -0.706 11451 10238 1 14 . 1 1 66 66 GLU CB C 66 28.350 28.350 27.893 0.457 11451 10239 1 14 . 1 1 66 66 GLU H H 66 7.872 7.872 8.710 -0.838 11451 10240 1 14 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.566 0.288 11451 10241 1 14 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.294 -1.139 11451 10242 1 14 . 1 1 67 67 PRO CB C 67 32.690 32.690 31.978 0.712 11451 10243 1 14 . 1 1 68 68 ILE N N 68 112.686 112.686 124.201 -11.515 11451 10244 1 14 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.413 0.024 11451 10245 1 14 . 1 1 68 68 ILE CA C 68 58.971 58.971 60.091 -1.120 11451 10246 1 14 . 1 1 68 68 ILE CB C 68 41.525 41.525 39.877 1.649 11451 10247 1 14 . 1 1 68 68 ILE H H 68 8.235 8.235 8.841 -0.606 11451 10248 1 14 . 1 1 69 69 LYS N N 69 121.199 121.199 123.213 -2.014 11451 10249 1 14 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.559 -0.618 11451 10250 1 14 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.224 -0.164 11451 10251 1 14 . 1 1 69 69 LYS CB C 69 32.140 32.140 33.114 -0.974 11451 10252 1 14 . 1 1 69 69 LYS H H 69 7.849 7.849 8.331 -0.481 11451 10253 1 14 . 1 1 70 70 ASN N N 70 126.585 126.585 119.951 6.634 11451 10254 1 14 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.764 -0.542 11451 10255 1 14 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.720 -0.392 11451 10256 1 14 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.699 -1.562 11451 10257 1 14 . 1 1 70 70 ASN H H 70 10.816 10.816 9.077 1.739 11451 10258 1 14 . 1 1 71 71 GLU N N 71 126.223 126.223 125.094 1.129 11451 10259 1 14 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.624 0.029 11451 10260 1 14 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.679 -1.082 11451 10261 1 14 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.496 0.284 11451 10262 1 14 . 1 1 71 71 GLU H H 71 8.202 8.202 8.924 -0.722 11451 10263 1 14 . 1 1 72 72 ALA N N 72 120.736 120.736 122.748 -2.012 11451 10264 1 14 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.159 0.073 11451 10265 1 14 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.820 0.300 11451 10266 1 14 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.171 -0.665 11451 10267 1 14 . 1 1 72 72 ALA H H 72 9.149 9.149 8.577 0.572 11451 10268 1 14 . 1 1 73 73 ASN N N 73 114.744 114.744 115.806 -1.062 11451 10269 1 14 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.122 1.059 11451 10270 1 14 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.691 -1.361 11451 10271 1 14 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.523 -1.847 11451 10272 1 14 . 1 1 73 73 ASN H H 73 7.892 7.892 8.316 -0.424 11451 10273 1 14 . 1 1 74 74 ASN N N 74 119.796 119.796 117.399 2.397 11451 10274 1 14 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.521 -0.142 11451 10275 1 14 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.857 -1.090 11451 10276 1 14 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.711 -0.296 11451 10277 1 14 . 1 1 74 74 ASN H H 74 8.408 8.408 7.259 1.149 11451 10278 1 14 . 1 1 75 75 GLY N N 75 108.891 108.891 107.578 1.313 11451 10279 1 14 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.252 0.374 11451 10280 1 14 . 1 1 75 75 GLY H H 75 7.971 7.971 7.648 0.323 11451 10281 1 14 . 1 1 76 76 LEU N N 76 120.602 120.602 118.845 1.757 11451 10282 1 14 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.377 -0.066 11451 10283 1 14 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.739 -0.140 11451 10284 1 14 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.904 -1.816 11451 10285 1 14 . 1 1 76 76 LEU H H 76 7.734 7.734 7.202 0.532 11451 10286 1 14 . 1 1 77 77 LYS N N 77 121.982 121.982 119.216 2.766 11451 10287 1 14 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.774 -0.324 11451 10288 1 14 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.857 0.144 11451 10289 1 14 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.812 -1.112 11451 10290 1 14 . 1 1 77 77 LYS H H 77 8.161 8.161 8.237 -0.076 11451 10291 1 14 . 1 1 78 78 ASN N N 78 124.764 124.764 121.701 3.063 11451 10292 1 14 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.139 -0.472 11451 10293 1 14 . 1 1 78 78 ASN CA C 78 54.314 54.314 52.832 1.482 11451 10294 1 14 . 1 1 78 78 ASN CB C 78 37.130 37.130 40.439 -3.309 11451 10295 1 14 . 1 1 78 78 ASN H H 78 9.564 9.564 9.295 0.269 11451 10296 1 14 . 1 1 79 79 THR N N 79 114.955 114.955 114.018 0.937 11451 10297 1 14 . 1 1 79 79 THR HA H 79 4.263 4.263 4.760 -0.497 11451 10298 1 14 . 1 1 79 79 THR CA C 79 60.774 60.774 60.415 0.359 11451 10299 1 14 . 1 1 79 79 THR CB C 79 70.347 70.347 72.108 -1.761 11451 10300 1 14 . 1 1 79 79 THR H H 79 8.190 8.190 8.658 -0.468 11451 10301 1 14 . 1 1 80 80 ARG N N 80 124.080 124.080 124.912 -0.832 11451 10302 1 14 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.921 -0.718 11451 10303 1 14 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.711 0.776 11451 10304 1 14 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.994 -1.085 11451 10305 1 14 . 1 1 80 80 ARG H H 80 9.203 9.203 9.134 0.069 11451 10306 1 14 . 1 1 81 81 GLY N N 81 115.741 115.741 115.147 0.594 11451 10307 1 14 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.169 -0.098 11451 10308 1 14 . 1 1 81 81 GLY H H 81 8.976 8.976 9.226 -0.250 11451 10309 1 14 . 1 1 82 82 THR N N 82 110.362 110.362 111.531 -1.169 11451 10310 1 14 . 1 1 82 82 THR HA H 82 4.623 4.623 4.623 -0.000 11451 10311 1 14 . 1 1 82 82 THR CA C 82 61.694 61.694 59.832 1.862 11451 10312 1 14 . 1 1 82 82 THR CB C 82 72.230 72.230 71.489 0.741 11451 10313 1 14 . 1 1 82 82 THR H H 82 8.070 8.070 7.647 0.423 11451 10314 1 14 . 1 1 83 83 LEU N N 83 121.341 121.341 122.980 -1.639 11451 10315 1 14 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.376 -0.157 11451 10316 1 14 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.869 0.481 11451 10317 1 14 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.963 -2.444 11451 10318 1 14 . 1 1 83 83 LEU H H 83 7.918 7.918 8.189 -0.271 11451 10319 1 14 . 1 1 84 84 ALA N N 84 121.663 121.663 123.399 -1.736 11451 10320 1 14 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.338 0.179 11451 10321 1 14 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.639 -0.570 11451 10322 1 14 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.785 1.200 11451 10323 1 14 . 1 1 84 84 ALA H H 84 8.053 8.053 7.974 0.079 11451 10324 1 14 . 1 1 85 85 MET N N 85 115.338 115.338 117.311 -1.973 11451 10325 1 14 . 1 1 85 85 MET HA H 85 5.241 5.241 4.928 0.313 11451 10326 1 14 . 1 1 85 85 MET CA C 85 52.707 52.707 55.265 -2.558 11451 10327 1 14 . 1 1 85 85 MET CB C 85 29.801 29.801 33.597 -3.796 11451 10328 1 14 . 1 1 85 85 MET H H 85 7.539 7.539 8.202 -0.663 11451 10329 1 14 . 1 1 86 86 ALA N N 86 126.558 126.558 125.666 0.892 11451 10330 1 14 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.953 -0.270 11451 10331 1 14 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.204 0.003 11451 10332 1 14 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.821 -1.405 11451 10333 1 14 . 1 1 86 86 ALA H H 86 8.287 8.287 8.628 -0.341 11451 10334 1 14 . 1 1 87 87 ARG N N 87 113.623 113.623 119.384 -5.761 11451 10335 1 14 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.966 -0.332 11451 10336 1 14 . 1 1 87 87 ARG CA C 87 55.768 55.768 54.876 0.892 11451 10337 1 14 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.925 -3.203 11451 10338 1 14 . 1 1 87 87 ARG H H 87 8.031 8.031 8.343 -0.312 11451 10339 1 14 . 1 1 88 88 THR N N 88 111.627 111.627 114.738 -3.111 11451 10340 1 14 . 1 1 88 88 THR HA H 88 4.624 4.624 4.245 0.379 11451 10341 1 14 . 1 1 88 88 THR CA C 88 60.554 60.554 64.799 -4.245 11451 10342 1 14 . 1 1 88 88 THR CB C 88 68.430 68.430 69.604 -1.174 11451 10343 1 14 . 1 1 88 88 THR H H 88 7.892 7.892 8.445 -0.553 11451 10344 1 14 . 1 1 89 89 GLN N N 89 117.361 117.361 118.001 -0.640 11451 10345 1 14 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.396 -0.545 11451 10346 1 14 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.622 2.289 11451 10347 1 14 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.289 -1.919 11451 10348 1 14 . 1 1 89 89 GLN H H 89 8.188 8.188 8.251 -0.063 11451 10349 1 14 . 1 1 90 90 ALA N N 90 122.998 122.998 124.312 -1.314 11451 10350 1 14 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.546 -0.201 11451 10351 1 14 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.931 -1.205 11451 10352 1 14 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.904 -0.730 11451 10353 1 14 . 1 1 90 90 ALA H H 90 7.962 7.962 8.078 -0.116 11451 10354 1 14 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.907 -0.439 11451 10355 1 14 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.235 1.202 11451 10356 1 14 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.310 -1.341 11451 10357 1 14 . 1 1 92 92 HIS N N 92 118.470 118.470 114.091 4.379 11451 10358 1 14 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.979 -0.155 11451 10359 1 14 . 1 1 92 92 HIS CA C 92 54.201 54.201 54.718 -0.517 11451 10360 1 14 . 1 1 92 92 HIS CB C 92 28.309 28.309 28.955 -0.646 11451 10361 1 14 . 1 1 92 92 HIS H H 92 7.977 7.977 7.978 -0.001 11451 10362 1 14 . 1 1 93 93 SER N N 93 108.425 108.425 115.110 -6.685 11451 10363 1 14 . 1 1 93 93 SER HA H 93 4.380 4.380 4.610 -0.230 11451 10364 1 14 . 1 1 93 93 SER CA C 93 57.696 57.696 57.928 -0.232 11451 10365 1 14 . 1 1 93 93 SER CB C 93 65.924 65.924 63.579 2.345 11451 10366 1 14 . 1 1 93 93 SER H H 93 6.374 6.374 7.645 -1.271 11451 10367 1 14 . 1 1 94 94 ALA N N 94 130.109 130.109 125.853 4.256 11451 10368 1 14 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.098 -0.822 11451 10369 1 14 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.092 3.081 11451 10370 1 14 . 1 1 94 94 ALA CB C 94 20.366 20.366 19.646 0.720 11451 10371 1 14 . 1 1 94 94 ALA H H 94 8.543 8.543 7.318 1.225 11451 10372 1 14 . 1 1 95 95 THR N N 95 110.794 110.794 116.557 -5.763 11451 10373 1 14 . 1 1 95 95 THR HA H 95 4.722 4.722 4.445 0.277 11451 10374 1 14 . 1 1 95 95 THR CA C 95 59.725 59.725 63.311 -3.586 11451 10375 1 14 . 1 1 95 95 THR CB C 95 70.157 70.157 69.790 0.367 11451 10376 1 14 . 1 1 95 95 THR H H 95 8.925 8.925 8.157 0.768 11451 10377 1 14 . 1 1 96 96 ALA N N 96 121.615 121.615 123.795 -2.180 11451 10378 1 14 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.812 -0.385 11451 10379 1 14 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.630 -0.095 11451 10380 1 14 . 1 1 96 96 ALA CB C 96 23.216 23.216 18.760 4.456 11451 10381 1 14 . 1 1 96 96 ALA H H 96 7.954 7.954 8.184 -0.230 11451 10382 1 14 . 1 1 97 97 GLN N N 97 115.548 115.548 117.171 -1.623 11451 10383 1 14 . 1 1 97 97 GLN HA H 97 4.629 4.629 5.096 -0.467 11451 10384 1 14 . 1 1 97 97 GLN CA C 97 57.388 57.388 54.395 2.993 11451 10385 1 14 . 1 1 97 97 GLN CB C 97 30.757 30.757 33.044 -2.287 11451 10386 1 14 . 1 1 97 97 GLN H H 97 7.866 7.866 8.033 -0.167 11451 10387 1 14 . 1 1 98 98 PHE N N 98 117.593 117.593 118.131 -0.538 11451 10388 1 14 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.505 0.283 11451 10389 1 14 . 1 1 98 98 PHE CA C 98 54.655 54.655 56.134 -1.479 11451 10390 1 14 . 1 1 98 98 PHE CB C 98 43.225 43.225 42.863 0.362 11451 10391 1 14 . 1 1 98 98 PHE H H 98 7.623 7.623 8.144 -0.521 11451 10392 1 14 . 1 1 99 99 PHE N N 99 116.226 116.226 114.699 1.527 11451 10393 1 14 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.211 0.521 11451 10394 1 14 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.613 -0.564 11451 10395 1 14 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.106 1.914 11451 10396 1 14 . 1 1 99 99 PHE H H 99 9.518 9.518 8.679 0.839 11451 10397 1 14 . 1 1 100 100 ILE N N 100 117.687 117.687 120.689 -3.002 11451 10398 1 14 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.798 0.029 11451 10399 1 14 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.136 -0.787 11451 10400 1 14 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.753 -0.084 11451 10401 1 14 . 1 1 100 100 ILE H H 100 9.136 9.136 9.093 0.043 11451 10402 1 14 . 1 1 101 101 ASN N N 101 126.524 126.524 128.182 -1.658 11451 10403 1 14 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.796 -0.337 11451 10404 1 14 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.568 2.165 11451 10405 1 14 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.352 1.574 11451 10406 1 14 . 1 1 101 101 ASN H H 101 8.877 8.877 9.198 -0.321 11451 10407 1 14 . 1 1 102 102 VAL N N 102 117.660 117.660 119.439 -1.779 11451 10408 1 14 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.115 0.296 11451 10409 1 14 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.160 -1.253 11451 10410 1 14 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.704 -2.334 11451 10411 1 14 . 1 1 102 102 VAL H H 102 7.700 7.700 7.864 -0.164 11451 10412 1 14 . 1 1 103 103 VAL N N 103 116.637 116.637 113.447 3.190 11451 10413 1 14 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.399 -0.046 11451 10414 1 14 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.637 1.022 11451 10415 1 14 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.911 0.599 11451 10416 1 14 . 1 1 103 103 VAL H H 103 7.753 7.753 7.055 0.698 11451 10417 1 14 . 1 1 104 104 ASP N N 104 118.510 118.510 121.543 -3.033 11451 10418 1 14 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.649 -0.394 11451 10419 1 14 . 1 1 104 104 ASP CA C 104 55.500 55.500 54.668 0.832 11451 10420 1 14 . 1 1 104 104 ASP CB C 104 39.088 39.088 40.877 -1.789 11451 10421 1 14 . 1 1 104 104 ASP H H 104 8.171 8.171 8.427 -0.256 11451 10422 1 14 . 1 1 105 105 ASN N N 105 128.132 128.132 123.560 4.572 11451 10423 1 14 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.842 0.237 11451 10424 1 14 . 1 1 105 105 ASN CA C 105 51.529 51.529 51.929 -0.400 11451 10425 1 14 . 1 1 105 105 ASN CB C 105 39.135 39.135 38.919 0.216 11451 10426 1 14 . 1 1 105 105 ASN H H 105 8.352 8.352 8.076 0.276 11451 10427 1 14 . 1 1 106 106 ASP N N 106 121.636 121.636 122.564 -0.928 11451 10428 1 14 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.278 -0.007 11451 10429 1 14 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.462 -0.675 11451 10430 1 14 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.991 -1.186 11451 10431 1 14 . 1 1 106 106 ASP H H 106 8.203 8.203 8.792 -0.589 11451 10432 1 14 . 1 1 107 107 PHE N N 107 114.525 114.525 115.015 -0.490 11451 10433 1 14 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.452 0.046 11451 10434 1 14 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.135 -1.740 11451 10435 1 14 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.072 -1.292 11451 10436 1 14 . 1 1 107 107 PHE H H 107 7.388 7.388 7.785 -0.397 11451 10437 1 14 . 1 1 108 108 LEU N N 108 121.576 121.576 118.374 3.202 11451 10438 1 14 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.527 -0.061 11451 10439 1 14 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.298 -0.820 11451 10440 1 14 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.318 0.781 11451 10441 1 14 . 1 1 108 108 LEU H H 108 7.163 7.163 7.360 -0.197 11451 10442 1 14 . 1 1 109 109 ASN N N 109 116.121 116.121 118.031 -1.910 11451 10443 1 14 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.909 0.240 11451 10444 1 14 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.230 -0.260 11451 10445 1 14 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.221 -1.102 11451 10446 1 14 . 1 1 109 109 ASN H H 109 7.312 7.312 7.797 -0.485 11451 10447 1 14 . 1 1 110 110 PHE N N 110 124.182 124.182 119.995 4.187 11451 10448 1 14 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.834 -0.582 11451 10449 1 14 . 1 1 110 110 PHE CA C 110 59.055 59.055 58.823 0.232 11451 10450 1 14 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.382 -0.589 11451 10451 1 14 . 1 1 110 110 PHE H H 110 8.825 8.825 7.991 0.834 11451 10452 1 14 . 1 1 111 111 SER N N 111 122.136 122.136 121.136 1.000 11451 10453 1 14 . 1 1 111 111 SER HA H 111 4.179 4.179 4.366 -0.187 11451 10454 1 14 . 1 1 111 111 SER CA C 111 57.521 57.521 57.763 -0.242 11451 10455 1 14 . 1 1 111 111 SER CB C 111 64.617 64.617 64.181 0.436 11451 10456 1 14 . 1 1 111 111 SER H H 111 9.456 9.456 8.229 1.227 11451 10457 1 14 . 1 1 112 112 GLY N N 112 110.435 110.435 108.002 2.433 11451 10458 1 14 . 1 1 112 112 GLY CA C 112 45.378 45.378 45.000 0.378 11451 10459 1 14 . 1 1 112 112 GLY H H 112 5.514 5.514 7.004 -1.490 11451 10460 1 14 . 1 1 113 113 GLU N N 113 118.926 118.926 118.344 0.582 11451 10461 1 14 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.613 -0.966 11451 10462 1 14 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.432 -2.462 11451 10463 1 14 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.015 -2.352 11451 10464 1 14 . 1 1 113 113 GLU H H 113 7.862 7.862 8.143 -0.281 11451 10465 1 14 . 1 1 114 114 SER N N 114 119.323 119.323 114.563 4.760 11451 10466 1 14 . 1 1 114 114 SER HA H 114 4.625 4.625 4.800 -0.175 11451 10467 1 14 . 1 1 114 114 SER CA C 114 56.279 56.279 57.391 -1.112 11451 10468 1 14 . 1 1 114 114 SER H H 114 7.621 7.621 7.954 -0.333 11451 10469 1 14 . 1 1 115 115 LEU N N 115 122.373 122.373 129.064 -6.691 11451 10470 1 14 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.923 0.194 11451 10471 1 14 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.378 1.582 11451 10472 1 14 . 1 1 115 115 LEU CB C 115 41.125 41.125 42.250 -1.125 11451 10473 1 14 . 1 1 115 115 LEU H H 115 8.745 8.745 8.995 -0.250 11451 10474 1 14 . 1 1 116 116 GLN N N 116 114.490 114.490 116.002 -1.512 11451 10475 1 14 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.218 0.044 11451 10476 1 14 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.902 0.225 11451 10477 1 14 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.663 -0.466 11451 10478 1 14 . 1 1 116 116 GLN H H 116 8.292 8.292 8.417 -0.125 11451 10479 1 14 . 1 1 117 117 GLY N N 117 109.729 109.729 108.672 1.057 11451 10480 1 14 . 1 1 117 117 GLY CA C 117 45.541 45.541 45.004 0.537 11451 10481 1 14 . 1 1 117 117 GLY H H 117 7.832 7.832 8.171 -0.339 11451 10482 1 14 . 1 1 118 118 TRP N N 118 123.807 123.807 123.625 0.182 11451 10483 1 14 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.939 -0.625 11451 10484 1 14 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.835 7.459 11451 10485 1 14 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.063 2.104 11451 10486 1 14 . 1 1 118 118 TRP H H 118 7.801 7.801 7.818 -0.017 11451 10487 1 14 . 1 1 119 119 GLY N N 119 124.815 124.815 111.001 13.814 11451 10488 1 14 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.416 -0.097 11451 10489 1 14 . 1 1 119 119 GLY H H 119 7.438 7.438 8.686 -1.248 11451 10490 1 14 . 1 1 120 120 TYR N N 120 119.720 119.720 117.436 2.284 11451 10491 1 14 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.047 0.155 11451 10492 1 14 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.131 0.188 11451 10493 1 14 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.574 -2.835 11451 10494 1 14 . 1 1 120 120 TYR H H 120 8.281 8.281 8.308 -0.027 11451 10495 1 14 . 1 1 121 121 CYS N N 121 126.117 126.117 122.596 3.521 11451 10496 1 14 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.708 -0.469 11451 10497 1 14 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.651 1.046 11451 10498 1 14 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.273 -0.263 11451 10499 1 14 . 1 1 121 121 CYS H H 121 9.818 9.818 9.220 0.598 11451 10500 1 14 . 1 1 122 122 VAL N N 122 106.168 106.168 130.573 -24.405 11451 10501 1 14 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.259 0.304 11451 10502 1 14 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.664 -0.014 11451 10503 1 14 . 1 1 122 122 VAL CB C 122 31.479 31.479 29.936 1.543 11451 10504 1 14 . 1 1 122 122 VAL H H 122 9.382 9.382 8.892 0.490 11451 10505 1 14 . 1 1 123 123 PHE N N 123 118.398 118.398 122.832 -4.434 11451 10506 1 14 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.589 0.272 11451 10507 1 14 . 1 1 123 123 PHE CA C 123 54.939 54.939 58.107 -3.168 11451 10508 1 14 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.609 2.031 11451 10509 1 14 . 1 1 123 123 PHE H H 123 7.842 7.842 7.952 -0.110 11451 10510 1 14 . 1 1 124 124 ALA N N 124 124.412 124.412 118.304 6.108 11451 10511 1 14 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.682 -0.032 11451 10512 1 14 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.546 0.213 11451 10513 1 14 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.707 1.928 11451 10514 1 14 . 1 1 124 124 ALA H H 124 7.327 7.327 6.882 0.445 11451 10515 1 14 . 1 1 125 125 GLU N N 125 115.272 115.272 117.205 -1.933 11451 10516 1 14 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.624 0.147 11451 10517 1 14 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.283 0.368 11451 10518 1 14 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.499 -0.729 11451 10519 1 14 . 1 1 125 125 GLU H H 125 8.223 8.223 8.223 -0.000 11451 10520 1 14 . 1 1 126 126 VAL N N 126 123.948 123.948 121.441 2.507 11451 10521 1 14 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.976 -0.067 11451 10522 1 14 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.554 -0.289 11451 10523 1 14 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.604 -0.794 11451 10524 1 14 . 1 1 126 126 VAL H H 126 8.786 8.786 8.260 0.526 11451 10525 1 14 . 1 1 127 127 VAL N N 127 123.644 123.644 127.687 -4.043 11451 10526 1 14 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.227 0.123 11451 10527 1 14 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.644 -2.150 11451 10528 1 14 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.773 -0.291 11451 10529 1 14 . 1 1 127 127 VAL H H 127 9.096 9.096 8.995 0.101 11451 10530 1 14 . 1 1 128 128 ASP N N 128 121.165 121.165 119.014 2.151 11451 10531 1 14 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.805 0.117 11451 10532 1 14 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.772 0.629 11451 10533 1 14 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.402 -1.353 11451 10534 1 14 . 1 1 128 128 ASP H H 128 7.719 7.719 7.736 -0.017 11451 10535 1 14 . 1 1 129 129 GLY N N 129 110.821 110.821 108.193 2.628 11451 10536 1 14 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.564 0.197 11451 10537 1 14 . 1 1 129 129 GLY H H 129 8.276 8.276 8.932 -0.656 11451 10538 1 14 . 1 1 130 130 MET N N 130 122.991 122.991 120.161 2.830 11451 10539 1 14 . 1 1 130 130 MET HA H 130 4.468 4.468 4.161 0.307 11451 10540 1 14 . 1 1 130 130 MET CA C 130 55.953 55.953 57.965 -2.012 11451 10541 1 14 . 1 1 130 130 MET CB C 130 28.771 28.771 31.465 -2.694 11451 10542 1 14 . 1 1 130 130 MET H H 130 8.945 8.945 8.451 0.494 11451 10543 1 14 . 1 1 131 131 ASP N N 131 117.183 117.183 118.431 -1.248 11451 10544 1 14 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.449 -0.204 11451 10545 1 14 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.507 -0.868 11451 10546 1 14 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.298 -1.620 11451 10547 1 14 . 1 1 131 131 ASP H H 131 8.924 8.924 8.725 0.199 11451 10548 1 14 . 1 1 132 132 VAL N N 132 124.340 124.340 120.432 3.908 11451 10549 1 14 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.779 -0.340 11451 10550 1 14 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.640 0.375 11451 10551 1 14 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.819 -1.038 11451 10552 1 14 . 1 1 132 132 VAL H H 132 7.222 7.222 7.613 -0.391 11451 10553 1 14 . 1 1 133 133 VAL N N 133 121.730 121.730 120.786 0.944 11451 10554 1 14 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.469 -0.451 11451 10555 1 14 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.676 0.400 11451 10556 1 14 . 1 1 133 133 VAL CB C 133 30.820 30.820 30.836 -0.016 11451 10557 1 14 . 1 1 133 133 VAL H H 133 7.367 7.367 8.182 -0.815 11451 10558 1 14 . 1 1 134 134 ASP N N 134 117.555 117.555 118.528 -0.973 11451 10559 1 14 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.382 -0.132 11451 10560 1 14 . 1 1 134 134 ASP CA C 134 56.263 56.263 57.194 -0.931 11451 10561 1 14 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.181 -1.369 11451 10562 1 14 . 1 1 134 134 ASP H H 134 8.411 8.411 8.202 0.209 11451 10563 1 14 . 1 1 135 135 LYS N N 135 122.646 122.646 118.848 3.798 11451 10564 1 14 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.104 -0.103 11451 10565 1 14 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.717 0.191 11451 10566 1 14 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.471 -0.461 11451 10567 1 14 . 1 1 135 135 LYS H H 135 7.418 7.418 7.081 0.337 11451 10568 1 14 . 1 1 136 136 ILE N N 136 121.613 121.613 118.300 3.313 11451 10569 1 14 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.384 -0.322 11451 10570 1 14 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.581 0.726 11451 10571 1 14 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.827 -0.528 11451 10572 1 14 . 1 1 136 136 ILE H H 136 8.075 8.075 8.417 -0.342 11451 10573 1 14 . 1 1 137 137 LYS N N 137 113.499 113.499 115.635 -2.136 11451 10574 1 14 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.218 -0.474 11451 10575 1 14 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.333 0.555 11451 10576 1 14 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.592 -1.237 11451 10577 1 14 . 1 1 137 137 LYS H H 137 7.976 7.976 7.404 0.572 11451 10578 1 14 . 1 1 138 138 GLY N N 138 104.829 104.829 106.485 -1.656 11451 10579 1 14 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.302 -1.121 11451 10580 1 14 . 1 1 138 138 GLY H H 138 6.858 6.858 7.558 -0.700 11451 10581 1 14 . 1 1 139 139 VAL N N 139 116.189 116.189 117.723 -1.534 11451 10582 1 14 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.875 0.208 11451 10583 1 14 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.335 -2.591 11451 10584 1 14 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.883 0.967 11451 10585 1 14 . 1 1 139 139 VAL H H 139 7.220 7.220 7.769 -0.549 11451 10586 1 14 . 1 1 140 140 ALA N N 140 123.097 123.097 120.650 2.447 11451 10587 1 14 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.590 -0.308 11451 10588 1 14 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.254 0.596 11451 10589 1 14 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.413 -2.041 11451 10590 1 14 . 1 1 140 140 ALA H H 140 8.262 8.262 7.832 0.430 11451 10591 1 14 . 1 1 141 141 THR N N 141 113.326 113.326 112.668 0.658 11451 10592 1 14 . 1 1 141 141 THR HA H 141 4.925 4.925 4.534 0.391 11451 10593 1 14 . 1 1 141 141 THR CA C 141 59.382 59.382 60.811 -1.429 11451 10594 1 14 . 1 1 141 141 THR CB C 141 73.286 73.286 71.518 1.768 11451 10595 1 14 . 1 1 141 141 THR H H 141 8.278 8.278 7.997 0.281 11451 10596 1 14 . 1 1 142 142 GLY N N 142 107.299 107.299 109.560 -2.261 11451 10597 1 14 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.623 -0.451 11451 10598 1 14 . 1 1 142 142 GLY H H 142 8.484 8.484 8.097 0.387 11451 10599 1 14 . 1 1 143 143 ARG N N 143 120.230 120.230 121.153 -0.923 11451 10600 1 14 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.238 0.559 11451 10601 1 14 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.048 -0.848 11451 10602 1 14 . 1 1 143 143 ARG CB C 143 31.351 31.351 31.160 0.191 11451 10603 1 14 . 1 1 143 143 ARG H H 143 8.185 8.185 8.316 -0.131 11451 10604 1 14 . 1 1 144 144 SER N N 144 119.429 119.429 117.662 1.767 11451 10605 1 14 . 1 1 144 144 SER HA H 144 4.466 4.466 4.659 -0.193 11451 10606 1 14 . 1 1 144 144 SER CA C 144 56.856 56.856 56.897 -0.041 11451 10607 1 14 . 1 1 144 144 SER CB C 144 63.174 63.174 64.521 -1.347 11451 10608 1 14 . 1 1 144 144 SER H H 144 8.427 8.427 8.548 -0.121 11451 10609 1 14 . 1 1 145 145 GLY N N 145 117.736 117.736 112.205 5.531 11451 10610 1 14 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.776 -0.090 11451 10611 1 14 . 1 1 145 145 GLY H H 145 8.902 8.902 8.916 -0.014 11451 10612 1 14 . 1 1 146 146 MET N N 146 125.723 125.723 116.926 8.797 11451 10613 1 14 . 1 1 146 146 MET HA H 146 4.315 4.315 4.478 -0.163 11451 10614 1 14 . 1 1 146 146 MET CA C 146 55.431 55.431 55.462 -0.032 11451 10615 1 14 . 1 1 146 146 MET H H 146 8.827 8.827 7.615 1.212 11451 10616 1 14 . 1 1 147 147 HIS N N 147 121.581 121.581 117.219 4.362 11451 10617 1 14 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.830 -0.406 11451 10618 1 14 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.460 0.615 11451 10619 1 14 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.423 -0.830 11451 10620 1 14 . 1 1 147 147 HIS H H 147 8.010 8.010 7.651 0.359 11451 10621 1 14 . 1 1 148 148 GLN N N 148 121.305 121.305 123.630 -2.325 11451 10622 1 14 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.503 -0.033 11451 10623 1 14 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.390 -0.926 11451 10624 1 14 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.653 1.038 11451 10625 1 14 . 1 1 148 148 GLN H H 148 8.681 8.681 8.772 -0.091 11451 10626 1 14 . 1 1 149 149 ASP N N 149 117.085 117.085 117.626 -0.541 11451 10627 1 14 . 1 1 149 149 ASP CB C 149 39.479 39.479 38.894 0.585 11451 10628 1 14 . 1 1 149 149 ASP H H 149 8.635 8.635 8.917 -0.282 11451 10629 1 14 . 1 1 150 150 VAL N N 150 120.313 120.313 111.507 8.806 11451 10630 1 14 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.769 -0.390 11451 10631 1 14 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.127 1.042 11451 10632 1 14 . 1 1 150 150 VAL CB C 150 33.080 33.080 34.789 -1.709 11451 10633 1 14 . 1 1 150 150 VAL H H 150 8.470 8.470 7.643 0.827 11451 10634 1 14 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.622 -0.208 11451 10635 1 14 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.751 1.185 11451 10636 1 14 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.489 -0.313 11451 10637 1 14 . 1 1 152 152 LYS N N 152 125.675 125.675 120.922 4.753 11451 10638 1 14 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.266 -0.395 11451 10639 1 14 . 1 1 152 152 LYS CA C 152 58.601 58.601 56.839 1.762 11451 10640 1 14 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.491 -0.706 11451 10641 1 14 . 1 1 152 152 LYS H H 152 8.169 8.169 8.480 -0.311 11451 10642 1 14 . 1 1 153 153 GLU N N 153 119.081 119.081 121.365 -2.284 11451 10643 1 14 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.325 0.070 11451 10644 1 14 . 1 1 153 153 GLU CA C 153 54.216 54.216 56.098 -1.882 11451 10645 1 14 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.707 0.031 11451 10646 1 14 . 1 1 153 153 GLU H H 153 7.960 7.960 8.184 -0.224 11451 10647 1 14 . 1 1 154 154 ASP N N 154 121.884 121.884 122.059 -0.175 11451 10648 1 14 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.611 -0.379 11451 10649 1 14 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.835 2.265 11451 10650 1 14 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.103 -0.563 11451 10651 1 14 . 1 1 154 154 ASP H H 154 8.149 8.149 8.674 -0.525 11451 10652 1 14 . 1 1 155 155 VAL N N 155 129.777 129.777 125.282 4.495 11451 10653 1 14 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.854 -0.415 11451 10654 1 14 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.945 0.366 11451 10655 1 14 . 1 1 155 155 VAL CB C 155 31.469 31.469 33.112 -1.643 11451 10656 1 14 . 1 1 155 155 VAL H H 155 10.043 10.043 8.675 1.368 11451 10657 1 14 . 1 1 156 156 ILE N N 156 125.807 125.807 125.487 0.320 11451 10658 1 14 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.009 -0.597 11451 10659 1 14 . 1 1 156 156 ILE CA C 156 60.685 60.685 59.221 1.464 11451 10660 1 14 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.638 0.276 11451 10661 1 14 . 1 1 156 156 ILE H H 156 8.252 8.252 9.533 -1.281 11451 10662 1 14 . 1 1 157 157 ILE N N 157 126.581 126.581 124.071 2.510 11451 10663 1 14 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.252 -0.573 11451 10664 1 14 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.833 0.672 11451 10665 1 14 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.924 -0.552 11451 10666 1 14 . 1 1 157 157 ILE H H 157 9.168 9.168 8.976 0.192 11451 10667 1 14 . 1 1 158 158 GLU N N 158 130.185 130.185 128.553 1.632 11451 10668 1 14 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.324 -0.284 11451 10669 1 14 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.252 0.653 11451 10670 1 14 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.865 -0.867 11451 10671 1 14 . 1 1 158 158 GLU H H 158 8.910 8.910 8.888 0.022 11451 10672 1 14 . 1 1 159 159 SER N N 159 108.037 108.037 112.512 -4.475 11451 10673 1 14 . 1 1 159 159 SER HA H 159 4.399 4.399 4.872 -0.473 11451 10674 1 14 . 1 1 159 159 SER CA C 159 57.505 57.505 57.417 0.088 11451 10675 1 14 . 1 1 159 159 SER CB C 159 64.403 64.403 65.031 -0.629 11451 10676 1 14 . 1 1 159 159 SER H H 159 7.772 7.772 7.948 -0.176 11451 10677 1 14 . 1 1 160 160 VAL N N 160 119.790 119.790 122.185 -2.395 11451 10678 1 14 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.413 -0.238 11451 10679 1 14 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.096 -0.531 11451 10680 1 14 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.796 -0.781 11451 10681 1 14 . 1 1 160 160 VAL H H 160 7.681 7.681 8.545 -0.864 11451 10682 1 14 . 1 1 161 161 THR N N 161 122.628 122.628 122.311 0.317 11451 10683 1 14 . 1 1 161 161 THR HA H 161 4.662 4.662 4.740 -0.078 11451 10684 1 14 . 1 1 161 161 THR CA C 161 61.452 61.452 60.971 0.481 11451 10685 1 14 . 1 1 161 161 THR CB C 161 70.781 70.781 71.911 -1.130 11451 10686 1 14 . 1 1 161 161 THR H H 161 8.817 8.817 9.291 -0.474 11451 10687 1 14 . 1 1 162 162 VAL N N 162 129.304 129.304 126.805 2.499 11451 10688 1 14 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.461 0.026 11451 10689 1 14 . 1 1 162 162 VAL CA C 162 61.757 61.757 61.781 -0.024 11451 10690 1 14 . 1 1 162 162 VAL CB C 162 32.482 32.482 31.634 0.848 11451 10691 1 14 . 1 1 162 162 VAL H H 162 9.075 9.075 8.576 0.499 11451 10692 1 14 . 1 1 163 163 SER N N 163 123.979 123.979 124.003 -0.024 11451 10693 1 14 . 1 1 163 163 SER HA H 163 4.601 4.601 4.746 -0.145 11451 10694 1 14 . 1 1 163 163 SER CA C 163 57.521 57.521 56.532 0.989 11451 10695 1 14 . 1 1 163 163 SER CB C 163 64.409 64.409 64.862 -0.453 11451 10696 1 14 . 1 1 163 163 SER H H 163 8.727 8.727 8.822 -0.095 11451 10697 1 15 . 1 1 2 2 VAL N N 2 123.776 123.776 123.691 0.085 11451 10698 1 15 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.827 -0.052 11451 10699 1 15 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.547 0.477 11451 10700 1 15 . 1 1 2 2 VAL CB C 2 35.131 35.131 35.434 -0.304 11451 10701 1 15 . 1 1 2 2 VAL H H 2 8.961 8.961 9.030 -0.069 11451 10702 1 15 . 1 1 3 3 THR N N 3 121.749 121.749 123.542 -1.793 11451 10703 1 15 . 1 1 3 3 THR HA H 3 5.053 5.053 4.867 0.186 11451 10704 1 15 . 1 1 3 3 THR CA C 3 61.176 61.176 61.765 -0.589 11451 10705 1 15 . 1 1 3 3 THR CB C 3 70.356 70.356 69.542 0.814 11451 10706 1 15 . 1 1 3 3 THR H H 3 8.912 8.912 9.000 -0.088 11451 10707 1 15 . 1 1 4 4 PHE N N 4 125.726 125.726 126.294 -0.568 11451 10708 1 15 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.935 -0.140 11451 10709 1 15 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.116 -1.105 11451 10710 1 15 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.345 -1.624 11451 10711 1 15 . 1 1 4 4 PHE H H 4 9.442 9.442 9.182 0.260 11451 10712 1 15 . 1 1 5 5 HIS N N 5 125.337 125.337 123.893 1.444 11451 10713 1 15 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.074 0.275 11451 10714 1 15 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.000 -0.692 11451 10715 1 15 . 1 1 5 5 HIS CB C 5 26.517 26.517 29.931 -3.414 11451 10716 1 15 . 1 1 5 5 HIS H H 5 8.897 8.897 9.505 -0.608 11451 10717 1 15 . 1 1 6 6 THR N N 6 115.752 115.752 116.334 -0.582 11451 10718 1 15 . 1 1 6 6 THR HA H 6 6.126 6.126 5.113 1.013 11451 10719 1 15 . 1 1 6 6 THR CA C 6 60.220 60.220 59.327 0.893 11451 10720 1 15 . 1 1 6 6 THR CB C 6 72.515 72.515 71.537 0.978 11451 10721 1 15 . 1 1 6 6 THR H H 6 7.881 7.881 8.055 -0.174 11451 10722 1 15 . 1 1 7 7 ASN N N 7 119.451 119.451 124.096 -4.645 11451 10723 1 15 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.583 -0.008 11451 10724 1 15 . 1 1 7 7 ASN CA C 7 54.493 54.493 55.280 -0.787 11451 10725 1 15 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.504 -3.170 11451 10726 1 15 . 1 1 7 7 ASN H H 7 9.334 9.334 8.977 0.357 11451 10727 1 15 . 1 1 8 8 HIS N N 8 118.490 118.490 116.746 1.744 11451 10728 1 15 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.659 -0.168 11451 10729 1 15 . 1 1 8 8 HIS CA C 8 56.790 56.790 57.001 -0.211 11451 10730 1 15 . 1 1 8 8 HIS CB C 8 32.634 32.634 30.893 1.741 11451 10731 1 15 . 1 1 8 8 HIS H H 8 8.663 8.663 7.810 0.853 11451 10732 1 15 . 1 1 9 9 GLY N N 9 108.550 108.550 105.962 2.588 11451 10733 1 15 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.387 -0.787 11451 10734 1 15 . 1 1 9 9 GLY H H 9 7.320 7.320 7.606 -0.286 11451 10735 1 15 . 1 1 10 10 ASP N N 10 123.900 123.900 121.484 2.416 11451 10736 1 15 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.243 0.377 11451 10737 1 15 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.744 -0.434 11451 10738 1 15 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.827 -0.327 11451 10739 1 15 . 1 1 10 10 ASP H H 10 8.857 8.857 8.491 0.366 11451 10740 1 15 . 1 1 11 11 ILE N N 11 121.150 121.150 123.532 -2.382 11451 10741 1 15 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.577 -0.241 11451 10742 1 15 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.263 1.013 11451 10743 1 15 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.118 -0.459 11451 10744 1 15 . 1 1 11 11 ILE H H 11 8.638 8.638 8.805 -0.167 11451 10745 1 15 . 1 1 12 12 VAL N N 12 129.487 129.487 124.969 4.518 11451 10746 1 15 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.748 -0.217 11451 10747 1 15 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.789 1.521 11451 10748 1 15 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.675 -2.433 11451 10749 1 15 . 1 1 12 12 VAL H H 12 8.771 8.771 8.903 -0.132 11451 10750 1 15 . 1 1 13 13 ILE N N 13 127.702 127.702 126.723 0.979 11451 10751 1 15 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.817 -0.147 11451 10752 1 15 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.438 0.300 11451 10753 1 15 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.475 0.084 11451 10754 1 15 . 1 1 13 13 ILE H H 13 9.527 9.527 9.087 0.440 11451 10755 1 15 . 1 1 14 14 LYS N N 14 126.574 126.574 127.458 -0.884 11451 10756 1 15 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.633 0.144 11451 10757 1 15 . 1 1 14 14 LYS CA C 14 53.843 53.843 53.889 -0.046 11451 10758 1 15 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.248 1.252 11451 10759 1 15 . 1 1 14 14 LYS H H 14 8.684 8.684 8.910 -0.226 11451 10760 1 15 . 1 1 15 15 THR N N 15 113.811 113.811 116.720 -2.909 11451 10761 1 15 . 1 1 15 15 THR HA H 15 4.130 4.130 4.321 -0.191 11451 10762 1 15 . 1 1 15 15 THR CA C 15 59.806 59.806 60.346 -0.541 11451 10763 1 15 . 1 1 15 15 THR CB C 15 69.319 69.319 69.887 -0.568 11451 10764 1 15 . 1 1 15 15 THR H H 15 8.343 8.343 8.215 0.128 11451 10765 1 15 . 1 1 16 16 PHE N N 16 122.611 122.611 124.046 -1.435 11451 10766 1 15 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.786 0.489 11451 10767 1 15 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.822 -1.532 11451 10768 1 15 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.712 -0.342 11451 10769 1 15 . 1 1 16 16 PHE H H 16 8.315 8.315 8.938 -0.623 11451 10770 1 15 . 1 1 17 17 ASP N N 17 120.182 120.182 123.068 -2.886 11451 10771 1 15 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.561 -0.799 11451 10772 1 15 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.547 0.410 11451 10773 1 15 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.949 -2.000 11451 10774 1 15 . 1 1 17 17 ASP H H 17 9.106 9.106 8.109 0.997 11451 10775 1 15 . 1 1 18 18 ASP N N 18 111.686 111.686 118.737 -7.051 11451 10776 1 15 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.524 -0.149 11451 10777 1 15 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.325 -1.302 11451 10778 1 15 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.698 -0.935 11451 10779 1 15 . 1 1 18 18 ASP H H 18 8.584 8.584 8.673 -0.089 11451 10780 1 15 . 1 1 19 19 LYS N N 19 118.003 118.003 116.869 1.134 11451 10781 1 15 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.388 0.048 11451 10782 1 15 . 1 1 19 19 LYS CA C 19 55.387 55.387 56.089 -0.702 11451 10783 1 15 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.837 0.030 11451 10784 1 15 . 1 1 19 19 LYS H H 19 7.333 7.333 7.473 -0.140 11451 10785 1 15 . 1 1 20 20 ALA N N 20 123.657 123.657 121.697 1.960 11451 10786 1 15 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.167 -0.549 11451 10787 1 15 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.778 -0.661 11451 10788 1 15 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.968 -0.733 11451 10789 1 15 . 1 1 20 20 ALA H H 20 7.560 7.560 8.230 -0.670 11451 10790 1 15 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.288 0.136 11451 10791 1 15 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.626 0.651 11451 10792 1 15 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.796 -0.288 11451 10793 1 15 . 1 1 22 22 GLU N N 22 122.557 122.557 118.760 3.797 11451 10794 1 15 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.152 -0.140 11451 10795 1 15 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.085 0.539 11451 10796 1 15 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.003 -0.523 11451 10797 1 15 . 1 1 22 22 GLU H H 22 9.855 9.855 8.160 1.695 11451 10798 1 15 . 1 1 23 23 THR N N 23 122.201 122.201 118.573 3.628 11451 10799 1 15 . 1 1 23 23 THR HA H 23 3.584 3.584 4.011 -0.427 11451 10800 1 15 . 1 1 23 23 THR CA C 23 66.554 66.554 67.418 -0.864 11451 10801 1 15 . 1 1 23 23 THR CB C 23 67.614 67.614 68.925 -1.311 11451 10802 1 15 . 1 1 23 23 THR H H 23 9.390 9.390 8.633 0.757 11451 10803 1 15 . 1 1 24 24 VAL N N 24 125.111 125.111 121.629 3.482 11451 10804 1 15 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.657 -0.172 11451 10805 1 15 . 1 1 24 24 VAL CA C 24 68.307 68.307 67.350 0.957 11451 10806 1 15 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.643 -0.754 11451 10807 1 15 . 1 1 24 24 VAL H H 24 9.359 9.359 8.574 0.785 11451 10808 1 15 . 1 1 25 25 LYS N N 25 121.050 121.050 120.207 0.843 11451 10809 1 15 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.936 -0.068 11451 10810 1 15 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.404 0.835 11451 10811 1 15 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.802 -0.105 11451 10812 1 15 . 1 1 25 25 LYS H H 25 7.686 7.686 8.498 -0.812 11451 10813 1 15 . 1 1 26 26 ASN N N 26 116.337 116.337 117.510 -1.173 11451 10814 1 15 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.454 -0.398 11451 10815 1 15 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.084 0.475 11451 10816 1 15 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.475 2.217 11451 10817 1 15 . 1 1 26 26 ASN H H 26 7.535 7.535 7.804 -0.269 11451 10818 1 15 . 1 1 27 27 PHE N N 27 119.858 119.858 121.768 -1.910 11451 10819 1 15 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.421 0.118 11451 10820 1 15 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.529 -0.596 11451 10821 1 15 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.131 0.700 11451 10822 1 15 . 1 1 27 27 PHE H H 27 7.867 7.867 8.467 -0.600 11451 10823 1 15 . 1 1 28 28 LEU N N 28 120.761 120.761 119.554 1.207 11451 10824 1 15 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.805 -0.062 11451 10825 1 15 . 1 1 28 28 LEU CA C 28 57.868 57.868 57.927 -0.059 11451 10826 1 15 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.326 -0.072 11451 10827 1 15 . 1 1 28 28 LEU H H 28 9.377 9.377 8.819 0.558 11451 10828 1 15 . 1 1 29 29 ASP N N 29 121.607 121.607 119.535 2.072 11451 10829 1 15 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.309 -0.014 11451 10830 1 15 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.660 0.169 11451 10831 1 15 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.402 -1.376 11451 10832 1 15 . 1 1 29 29 ASP H H 29 8.374 8.374 8.529 -0.155 11451 10833 1 15 . 1 1 30 30 TYR N N 30 118.959 118.959 119.438 -0.479 11451 10834 1 15 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.327 -0.322 11451 10835 1 15 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.772 -0.024 11451 10836 1 15 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.328 -0.589 11451 10837 1 15 . 1 1 30 30 TYR H H 30 7.287 7.287 7.490 -0.203 11451 10838 1 15 . 1 1 31 31 CYS N N 31 116.202 116.202 117.815 -1.613 11451 10839 1 15 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.183 -0.149 11451 10840 1 15 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.891 0.513 11451 10841 1 15 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.159 0.062 11451 10842 1 15 . 1 1 31 31 CYS H H 31 8.336 8.336 8.107 0.229 11451 10843 1 15 . 1 1 32 32 ARG N N 32 121.949 121.949 121.080 0.869 11451 10844 1 15 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.107 -0.245 11451 10845 1 15 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.947 0.772 11451 10846 1 15 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.078 0.296 11451 10847 1 15 . 1 1 32 32 ARG H H 32 9.077 9.077 8.291 0.786 11451 10848 1 15 . 1 1 33 33 GLU N N 33 116.667 116.667 117.000 -0.333 11451 10849 1 15 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.330 -0.143 11451 10850 1 15 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.483 -0.035 11451 10851 1 15 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.482 -0.224 11451 10852 1 15 . 1 1 33 33 GLU H H 33 7.920 7.920 7.850 0.070 11451 10853 1 15 . 1 1 34 34 GLY N N 34 107.273 107.273 106.585 0.688 11451 10854 1 15 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.242 0.156 11451 10855 1 15 . 1 1 34 34 GLY H H 34 7.533 7.533 7.535 -0.002 11451 10856 1 15 . 1 1 35 35 PHE N N 35 122.134 122.134 121.311 0.823 11451 10857 1 15 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.241 -0.576 11451 10858 1 15 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.614 1.991 11451 10859 1 15 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.379 0.691 11451 10860 1 15 . 1 1 35 35 PHE H H 35 8.129 8.129 8.349 -0.220 11451 10861 1 15 . 1 1 36 36 TYR N N 36 111.250 111.250 114.011 -2.761 11451 10862 1 15 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.229 0.095 11451 10863 1 15 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.725 -1.047 11451 10864 1 15 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.441 -0.981 11451 10865 1 15 . 1 1 36 36 TYR H H 36 7.355 7.355 8.278 -0.923 11451 10866 1 15 . 1 1 37 37 ASN N N 37 121.890 121.890 119.325 2.565 11451 10867 1 15 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.560 -0.735 11451 10868 1 15 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.244 -0.065 11451 10869 1 15 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.253 -2.398 11451 10870 1 15 . 1 1 37 37 ASN H H 37 7.106 7.106 7.656 -0.550 11451 10871 1 15 . 1 1 38 38 ASN N N 38 121.572 121.572 118.464 3.108 11451 10872 1 15 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.421 -0.373 11451 10873 1 15 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.785 -0.065 11451 10874 1 15 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.945 0.593 11451 10875 1 15 . 1 1 38 38 ASN H H 38 9.235 9.235 8.844 0.391 11451 10876 1 15 . 1 1 39 39 THR N N 39 104.540 104.540 107.222 -2.682 11451 10877 1 15 . 1 1 39 39 THR HA H 39 5.006 5.006 5.169 -0.163 11451 10878 1 15 . 1 1 39 39 THR CA C 39 59.979 59.979 60.600 -0.621 11451 10879 1 15 . 1 1 39 39 THR CB C 39 72.789 72.789 70.609 2.180 11451 10880 1 15 . 1 1 39 39 THR H H 39 7.328 7.328 7.526 -0.198 11451 10881 1 15 . 1 1 40 40 ILE N N 40 108.904 108.904 115.204 -6.300 11451 10882 1 15 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.089 0.580 11451 10883 1 15 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.335 0.465 11451 10884 1 15 . 1 1 40 40 ILE CB C 40 39.724 39.724 42.017 -2.293 11451 10885 1 15 . 1 1 40 40 ILE H H 40 7.943 7.943 8.522 -0.579 11451 10886 1 15 . 1 1 41 41 PHE N N 41 122.068 122.068 121.694 0.374 11451 10887 1 15 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.925 0.035 11451 10888 1 15 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.497 1.320 11451 10889 1 15 . 1 1 41 41 PHE CB C 41 37.410 37.410 38.892 -1.482 11451 10890 1 15 . 1 1 41 41 PHE H H 41 8.289 8.289 8.611 -0.322 11451 10891 1 15 . 1 1 42 42 HIS N N 42 121.477 121.477 118.451 3.026 11451 10892 1 15 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.594 -0.318 11451 10893 1 15 . 1 1 42 42 HIS CA C 42 56.598 56.598 55.908 0.690 11451 10894 1 15 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.320 1.343 11451 10895 1 15 . 1 1 42 42 HIS H H 42 7.862 7.862 8.100 -0.238 11451 10896 1 15 . 1 1 43 43 ARG N N 43 123.403 123.403 117.567 5.836 11451 10897 1 15 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.745 -0.129 11451 10898 1 15 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.141 1.177 11451 10899 1 15 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.213 -0.938 11451 10900 1 15 . 1 1 43 43 ARG H H 43 6.933 6.933 7.317 -0.384 11451 10901 1 15 . 1 1 44 44 VAL N N 44 129.359 129.359 122.368 6.991 11451 10902 1 15 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.453 -0.313 11451 10903 1 15 . 1 1 44 44 VAL CA C 44 62.374 62.374 60.713 1.661 11451 10904 1 15 . 1 1 44 44 VAL CB C 44 35.191 35.191 34.262 0.929 11451 10905 1 15 . 1 1 44 44 VAL H H 44 9.023 9.023 8.542 0.481 11451 10906 1 15 . 1 1 45 45 ILE N N 45 126.532 126.532 126.352 0.180 11451 10907 1 15 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.490 -0.254 11451 10908 1 15 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.882 0.582 11451 10909 1 15 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.234 -2.284 11451 10910 1 15 . 1 1 45 45 ILE H H 45 8.243 8.243 8.127 0.116 11451 10911 1 15 . 1 1 46 46 ASN N N 46 128.015 128.015 127.321 0.694 11451 10912 1 15 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.560 -0.399 11451 10913 1 15 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.136 0.205 11451 10914 1 15 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.613 -1.939 11451 10915 1 15 . 1 1 46 46 ASN H H 46 9.127 9.127 8.749 0.378 11451 10916 1 15 . 1 1 47 47 GLY N N 47 110.314 110.314 109.351 0.963 11451 10917 1 15 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.571 0.059 11451 10918 1 15 . 1 1 47 47 GLY H H 47 7.542 7.542 8.723 -1.181 11451 10919 1 15 . 1 1 48 48 PHE N N 48 116.701 116.701 118.523 -1.822 11451 10920 1 15 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.941 0.201 11451 10921 1 15 . 1 1 48 48 PHE CA C 48 57.500 57.500 55.468 2.032 11451 10922 1 15 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.283 -2.955 11451 10923 1 15 . 1 1 48 48 PHE H H 48 7.800 7.800 7.826 -0.026 11451 10924 1 15 . 1 1 49 49 MET N N 49 117.710 117.710 118.663 -0.953 11451 10925 1 15 . 1 1 49 49 MET HA H 49 5.027 5.027 4.538 0.489 11451 10926 1 15 . 1 1 49 49 MET CA C 49 55.009 55.009 53.534 1.475 11451 10927 1 15 . 1 1 49 49 MET CB C 49 35.120 35.120 33.323 1.797 11451 10928 1 15 . 1 1 49 49 MET H H 49 8.363 8.363 6.966 1.397 11451 10929 1 15 . 1 1 50 50 ILE N N 50 110.774 110.774 113.168 -2.394 11451 10930 1 15 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.828 0.039 11451 10931 1 15 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.320 0.415 11451 10932 1 15 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.712 -0.451 11451 10933 1 15 . 1 1 50 50 ILE H H 50 7.749 7.749 7.707 0.042 11451 10934 1 15 . 1 1 51 51 GLN N N 51 127.997 127.997 124.991 3.006 11451 10935 1 15 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.881 0.320 11451 10936 1 15 . 1 1 51 51 GLN CA C 51 54.052 54.052 54.106 -0.054 11451 10937 1 15 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.479 -0.795 11451 10938 1 15 . 1 1 51 51 GLN H H 51 9.198 9.198 8.008 1.190 11451 10939 1 15 . 1 1 52 52 GLY N N 52 111.413 111.413 107.788 3.625 11451 10940 1 15 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.164 1.129 11451 10941 1 15 . 1 1 52 52 GLY H H 52 8.037 8.037 8.450 -0.413 11451 10942 1 15 . 1 1 53 53 GLY N N 53 106.177 106.177 106.313 -0.136 11451 10943 1 15 . 1 1 53 53 GLY CA C 53 46.077 46.077 45.935 0.142 11451 10944 1 15 . 1 1 53 53 GLY H H 53 8.334 8.334 8.102 0.232 11451 10945 1 15 . 1 1 54 54 GLY N N 54 129.939 129.939 106.240 23.699 11451 10946 1 15 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.404 0.008 11451 10947 1 15 . 1 1 54 54 GLY H H 54 9.068 9.068 7.741 1.327 11451 10948 1 15 . 1 1 55 55 PHE N N 55 121.195 121.195 116.090 5.105 11451 10949 1 15 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.974 -0.087 11451 10950 1 15 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.358 0.340 11451 10951 1 15 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.498 -0.652 11451 10952 1 15 . 1 1 55 55 PHE H H 55 9.329 9.329 7.165 2.164 11451 10953 1 15 . 1 1 56 56 GLU N N 56 120.126 120.126 119.527 0.599 11451 10954 1 15 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.182 -0.334 11451 10955 1 15 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.251 0.948 11451 10956 1 15 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.392 -0.940 11451 10957 1 15 . 1 1 56 56 GLU H H 56 8.531 8.531 8.173 0.358 11451 10958 1 15 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.342 -0.352 11451 10959 1 15 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.407 0.456 11451 10960 1 15 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.633 -0.765 11451 10961 1 15 . 1 1 58 58 GLY N N 58 113.477 113.477 104.787 8.690 11451 10962 1 15 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.339 0.027 11451 10963 1 15 . 1 1 58 58 GLY H H 58 9.454 9.454 8.031 1.423 11451 10964 1 15 . 1 1 59 59 MET N N 59 114.007 114.007 116.252 -2.245 11451 10965 1 15 . 1 1 59 59 MET HA H 59 3.946 3.946 3.822 0.124 11451 10966 1 15 . 1 1 59 59 MET CA C 59 54.650 54.650 55.744 -1.094 11451 10967 1 15 . 1 1 59 59 MET CB C 59 25.875 25.875 29.071 -3.196 11451 10968 1 15 . 1 1 59 59 MET H H 59 8.027 8.027 7.872 0.155 11451 10969 1 15 . 1 1 60 60 LYS N N 60 120.420 120.420 120.272 0.148 11451 10970 1 15 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.449 0.017 11451 10971 1 15 . 1 1 60 60 LYS CA C 60 54.958 54.958 56.012 -1.054 11451 10972 1 15 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.745 -0.435 11451 10973 1 15 . 1 1 60 60 LYS H H 60 6.996 6.996 7.605 -0.609 11451 10974 1 15 . 1 1 61 61 GLN N N 61 130.250 130.250 126.788 3.462 11451 10975 1 15 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.205 -0.819 11451 10976 1 15 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.223 0.556 11451 10977 1 15 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.374 -0.933 11451 10978 1 15 . 1 1 61 61 GLN H H 61 8.965 8.965 8.809 0.156 11451 10979 1 15 . 1 1 62 62 LYS N N 62 126.196 126.196 125.685 0.511 11451 10980 1 15 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.223 -0.093 11451 10981 1 15 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.959 0.731 11451 10982 1 15 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.432 0.340 11451 10983 1 15 . 1 1 62 62 LYS H H 62 7.323 7.323 8.100 -0.777 11451 10984 1 15 . 1 1 63 63 ALA N N 63 127.588 127.588 125.552 2.036 11451 10985 1 15 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.463 -0.179 11451 10986 1 15 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.383 1.262 11451 10987 1 15 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.629 0.744 11451 10988 1 15 . 1 1 63 63 ALA H H 63 8.458 8.458 8.672 -0.214 11451 10989 1 15 . 1 1 64 64 THR N N 64 111.370 111.370 116.436 -5.066 11451 10990 1 15 . 1 1 64 64 THR HA H 64 4.550 4.550 4.229 0.321 11451 10991 1 15 . 1 1 64 64 THR CA C 64 60.554 60.554 62.764 -2.210 11451 10992 1 15 . 1 1 64 64 THR CB C 64 71.700 71.700 69.160 2.540 11451 10993 1 15 . 1 1 64 64 THR H H 64 8.122 8.122 7.825 0.297 11451 10994 1 15 . 1 1 65 65 LYS N N 65 118.451 118.451 125.815 -7.364 11451 10995 1 15 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.484 -0.065 11451 10996 1 15 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.023 0.323 11451 10997 1 15 . 1 1 65 65 LYS CB C 65 32.482 32.482 34.839 -2.357 11451 10998 1 15 . 1 1 65 65 LYS H H 65 7.879 7.879 8.048 -0.169 11451 10999 1 15 . 1 1 66 66 GLU N N 66 118.805 118.805 119.543 -0.738 11451 11000 1 15 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.149 0.008 11451 11001 1 15 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.595 -0.713 11451 11002 1 15 . 1 1 66 66 GLU CB C 66 28.350 28.350 27.904 0.447 11451 11003 1 15 . 1 1 66 66 GLU H H 66 7.872 7.872 8.731 -0.859 11451 11004 1 15 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.569 0.285 11451 11005 1 15 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.310 -1.155 11451 11006 1 15 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.204 0.486 11451 11007 1 15 . 1 1 68 68 ILE N N 68 112.686 112.686 122.600 -9.914 11451 11008 1 15 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.566 -0.129 11451 11009 1 15 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.428 -0.457 11451 11010 1 15 . 1 1 68 68 ILE CB C 68 41.525 41.525 41.166 0.359 11451 11011 1 15 . 1 1 68 68 ILE H H 68 8.235 8.235 8.402 -0.167 11451 11012 1 15 . 1 1 69 69 LYS N N 69 121.199 121.199 121.829 -0.630 11451 11013 1 15 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.546 -0.606 11451 11014 1 15 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.865 -0.805 11451 11015 1 15 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.497 -0.357 11451 11016 1 15 . 1 1 69 69 LYS H H 69 7.849 7.849 8.313 -0.464 11451 11017 1 15 . 1 1 70 70 ASN N N 70 126.585 126.585 119.803 6.782 11451 11018 1 15 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.401 -0.179 11451 11019 1 15 . 1 1 70 70 ASN CA C 70 53.328 53.328 55.890 -2.562 11451 11020 1 15 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.933 -1.796 11451 11021 1 15 . 1 1 70 70 ASN H H 70 10.816 10.816 8.926 1.890 11451 11022 1 15 . 1 1 71 71 GLU N N 71 126.223 126.223 113.302 12.921 11451 11023 1 15 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.237 0.416 11451 11024 1 15 . 1 1 71 71 GLU CA C 71 55.597 55.597 58.020 -2.423 11451 11025 1 15 . 1 1 71 71 GLU CB C 71 29.780 29.780 27.611 2.169 11451 11026 1 15 . 1 1 71 71 GLU H H 71 8.202 8.202 9.013 -0.811 11451 11027 1 15 . 1 1 72 72 ALA N N 72 120.736 120.736 121.543 -0.807 11451 11028 1 15 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.188 0.044 11451 11029 1 15 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.677 0.443 11451 11030 1 15 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.105 -0.599 11451 11031 1 15 . 1 1 72 72 ALA H H 72 9.149 9.149 8.180 0.969 11451 11032 1 15 . 1 1 73 73 ASN N N 73 114.744 114.744 115.028 -0.284 11451 11033 1 15 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.216 0.965 11451 11034 1 15 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.851 -1.520 11451 11035 1 15 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.668 -1.992 11451 11036 1 15 . 1 1 73 73 ASN H H 73 7.892 7.892 8.720 -0.828 11451 11037 1 15 . 1 1 74 74 ASN N N 74 119.796 119.796 117.765 2.031 11451 11038 1 15 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.600 -0.221 11451 11039 1 15 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.600 -0.833 11451 11040 1 15 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.597 -0.182 11451 11041 1 15 . 1 1 74 74 ASN H H 74 8.408 8.408 7.350 1.058 11451 11042 1 15 . 1 1 75 75 GLY N N 75 108.891 108.891 107.294 1.597 11451 11043 1 15 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.329 0.298 11451 11044 1 15 . 1 1 75 75 GLY H H 75 7.971 7.971 7.390 0.581 11451 11045 1 15 . 1 1 76 76 LEU N N 76 120.602 120.602 120.924 -0.322 11451 11046 1 15 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.385 -0.074 11451 11047 1 15 . 1 1 76 76 LEU CA C 76 54.599 54.599 55.396 -0.797 11451 11048 1 15 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.829 -1.741 11451 11049 1 15 . 1 1 76 76 LEU H H 76 7.734 7.734 7.597 0.137 11451 11050 1 15 . 1 1 77 77 LYS N N 77 121.982 121.982 121.485 0.497 11451 11051 1 15 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.807 -0.357 11451 11052 1 15 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.996 0.005 11451 11053 1 15 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.802 -1.102 11451 11054 1 15 . 1 1 77 77 LYS H H 77 8.161 8.161 8.334 -0.173 11451 11055 1 15 . 1 1 78 78 ASN N N 78 124.764 124.764 123.716 1.048 11451 11056 1 15 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.118 -0.451 11451 11057 1 15 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.054 1.260 11451 11058 1 15 . 1 1 78 78 ASN CB C 78 37.130 37.130 39.073 -1.943 11451 11059 1 15 . 1 1 78 78 ASN H H 78 9.564 9.564 9.406 0.158 11451 11060 1 15 . 1 1 79 79 THR N N 79 114.955 114.955 112.697 2.258 11451 11061 1 15 . 1 1 79 79 THR HA H 79 4.263 4.263 4.905 -0.642 11451 11062 1 15 . 1 1 79 79 THR CA C 79 60.774 60.774 59.451 1.323 11451 11063 1 15 . 1 1 79 79 THR CB C 79 70.347 70.347 71.334 -0.987 11451 11064 1 15 . 1 1 79 79 THR H H 79 8.190 8.190 7.688 0.502 11451 11065 1 15 . 1 1 80 80 ARG N N 80 124.080 124.080 121.936 2.144 11451 11066 1 15 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.043 -0.840 11451 11067 1 15 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.010 1.477 11451 11068 1 15 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.701 -0.792 11451 11069 1 15 . 1 1 80 80 ARG H H 80 9.203 9.203 9.233 -0.030 11451 11070 1 15 . 1 1 81 81 GLY N N 81 115.741 115.741 114.283 1.458 11451 11071 1 15 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.268 -0.197 11451 11072 1 15 . 1 1 81 81 GLY H H 81 8.976 8.976 9.166 -0.190 11451 11073 1 15 . 1 1 82 82 THR N N 82 110.362 110.362 111.643 -1.281 11451 11074 1 15 . 1 1 82 82 THR HA H 82 4.623 4.623 4.600 0.023 11451 11075 1 15 . 1 1 82 82 THR CA C 82 61.694 61.694 60.085 1.609 11451 11076 1 15 . 1 1 82 82 THR CB C 82 72.230 72.230 71.593 0.637 11451 11077 1 15 . 1 1 82 82 THR H H 82 8.070 8.070 7.459 0.611 11451 11078 1 15 . 1 1 83 83 LEU N N 83 121.341 121.341 122.700 -1.359 11451 11079 1 15 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.321 -0.102 11451 11080 1 15 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.886 0.464 11451 11081 1 15 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.855 -2.336 11451 11082 1 15 . 1 1 83 83 LEU H H 83 7.918 7.918 8.424 -0.506 11451 11083 1 15 . 1 1 84 84 ALA N N 84 121.663 121.663 123.847 -2.184 11451 11084 1 15 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.315 0.202 11451 11085 1 15 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.477 -0.408 11451 11086 1 15 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.706 1.279 11451 11087 1 15 . 1 1 84 84 ALA H H 84 8.053 8.053 7.978 0.075 11451 11088 1 15 . 1 1 85 85 MET N N 85 115.338 115.338 117.047 -1.709 11451 11089 1 15 . 1 1 85 85 MET HA H 85 5.241 5.241 5.015 0.226 11451 11090 1 15 . 1 1 85 85 MET CA C 85 52.707 52.707 55.011 -2.304 11451 11091 1 15 . 1 1 85 85 MET CB C 85 29.801 29.801 33.644 -3.843 11451 11092 1 15 . 1 1 85 85 MET H H 85 7.539 7.539 8.010 -0.471 11451 11093 1 15 . 1 1 86 86 ALA N N 86 126.558 126.558 124.253 2.305 11451 11094 1 15 . 1 1 86 86 ALA HA H 86 4.683 4.683 5.018 -0.335 11451 11095 1 15 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.032 0.175 11451 11096 1 15 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.728 -1.312 11451 11097 1 15 . 1 1 86 86 ALA H H 86 8.287 8.287 8.663 -0.376 11451 11098 1 15 . 1 1 87 87 ARG N N 87 113.623 113.623 119.023 -5.400 11451 11099 1 15 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.859 -0.225 11451 11100 1 15 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.032 0.736 11451 11101 1 15 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.496 -2.774 11451 11102 1 15 . 1 1 87 87 ARG H H 87 8.031 8.031 8.407 -0.376 11451 11103 1 15 . 1 1 88 88 THR N N 88 111.627 111.627 114.761 -3.134 11451 11104 1 15 . 1 1 88 88 THR HA H 88 4.624 4.624 4.285 0.339 11451 11105 1 15 . 1 1 88 88 THR CA C 88 60.554 60.554 64.637 -4.083 11451 11106 1 15 . 1 1 88 88 THR CB C 88 68.430 68.430 69.582 -1.152 11451 11107 1 15 . 1 1 88 88 THR H H 88 7.892 7.892 8.599 -0.707 11451 11108 1 15 . 1 1 89 89 GLN N N 89 117.361 117.361 117.804 -0.443 11451 11109 1 15 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.404 -0.553 11451 11110 1 15 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.515 2.396 11451 11111 1 15 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.199 -1.829 11451 11112 1 15 . 1 1 89 89 GLN H H 89 8.188 8.188 8.173 0.015 11451 11113 1 15 . 1 1 90 90 ALA N N 90 122.998 122.998 124.242 -1.244 11451 11114 1 15 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.623 -0.278 11451 11115 1 15 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.710 -0.984 11451 11116 1 15 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.877 -0.703 11451 11117 1 15 . 1 1 90 90 ALA H H 90 7.962 7.962 8.072 -0.110 11451 11118 1 15 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.910 -0.442 11451 11119 1 15 . 1 1 91 91 PRO CA C 91 65.437 65.437 63.968 1.469 11451 11120 1 15 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.480 -1.511 11451 11121 1 15 . 1 1 92 92 HIS N N 92 118.470 118.470 114.066 4.404 11451 11122 1 15 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.900 -0.076 11451 11123 1 15 . 1 1 92 92 HIS CA C 92 54.201 54.201 54.807 -0.606 11451 11124 1 15 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.112 -0.803 11451 11125 1 15 . 1 1 92 92 HIS H H 92 7.977 7.977 7.818 0.159 11451 11126 1 15 . 1 1 93 93 SER N N 93 108.425 108.425 114.778 -6.353 11451 11127 1 15 . 1 1 93 93 SER HA H 93 4.380 4.380 4.613 -0.233 11451 11128 1 15 . 1 1 93 93 SER CA C 93 57.696 57.696 57.843 -0.147 11451 11129 1 15 . 1 1 93 93 SER CB C 93 65.924 65.924 63.839 2.085 11451 11130 1 15 . 1 1 93 93 SER H H 93 6.374 6.374 7.715 -1.341 11451 11131 1 15 . 1 1 94 94 ALA N N 94 130.109 130.109 125.632 4.477 11451 11132 1 15 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.056 -0.780 11451 11133 1 15 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.267 2.906 11451 11134 1 15 . 1 1 94 94 ALA CB C 94 20.366 20.366 19.775 0.591 11451 11135 1 15 . 1 1 94 94 ALA H H 94 8.543 8.543 7.375 1.168 11451 11136 1 15 . 1 1 95 95 THR N N 95 110.794 110.794 116.872 -6.078 11451 11137 1 15 . 1 1 95 95 THR HA H 95 4.722 4.722 4.455 0.267 11451 11138 1 15 . 1 1 95 95 THR CA C 95 59.725 59.725 63.200 -3.474 11451 11139 1 15 . 1 1 95 95 THR CB C 95 70.157 70.157 69.699 0.458 11451 11140 1 15 . 1 1 95 95 THR H H 95 8.925 8.925 8.118 0.807 11451 11141 1 15 . 1 1 96 96 ALA N N 96 121.615 121.615 123.951 -2.336 11451 11142 1 15 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.842 -0.415 11451 11143 1 15 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.603 -0.067 11451 11144 1 15 . 1 1 96 96 ALA CB C 96 23.216 23.216 18.994 4.223 11451 11145 1 15 . 1 1 96 96 ALA H H 96 7.954 7.954 8.246 -0.292 11451 11146 1 15 . 1 1 97 97 GLN N N 97 115.548 115.548 118.021 -2.473 11451 11147 1 15 . 1 1 97 97 GLN HA H 97 4.629 4.629 5.063 -0.434 11451 11148 1 15 . 1 1 97 97 GLN CA C 97 57.388 57.388 54.785 2.603 11451 11149 1 15 . 1 1 97 97 GLN CB C 97 30.757 30.757 32.419 -1.662 11451 11150 1 15 . 1 1 97 97 GLN H H 97 7.866 7.866 8.003 -0.137 11451 11151 1 15 . 1 1 98 98 PHE N N 98 117.593 117.593 118.439 -0.846 11451 11152 1 15 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.557 0.231 11451 11153 1 15 . 1 1 98 98 PHE CA C 98 54.655 54.655 56.258 -1.603 11451 11154 1 15 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.163 0.062 11451 11155 1 15 . 1 1 98 98 PHE H H 98 7.623 7.623 8.513 -0.890 11451 11156 1 15 . 1 1 99 99 PHE N N 99 116.226 116.226 114.680 1.546 11451 11157 1 15 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.226 0.506 11451 11158 1 15 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.702 -0.653 11451 11159 1 15 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.214 1.806 11451 11160 1 15 . 1 1 99 99 PHE H H 99 9.518 9.518 8.796 0.722 11451 11161 1 15 . 1 1 100 100 ILE N N 100 117.687 117.687 120.469 -2.782 11451 11162 1 15 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.814 0.013 11451 11163 1 15 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.146 -0.797 11451 11164 1 15 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.760 -0.091 11451 11165 1 15 . 1 1 100 100 ILE H H 100 9.136 9.136 9.007 0.129 11451 11166 1 15 . 1 1 101 101 ASN N N 101 126.524 126.524 128.303 -1.779 11451 11167 1 15 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.746 -0.287 11451 11168 1 15 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.582 2.151 11451 11169 1 15 . 1 1 101 101 ASN CB C 101 39.926 39.926 37.901 2.025 11451 11170 1 15 . 1 1 101 101 ASN H H 101 8.877 8.877 9.208 -0.331 11451 11171 1 15 . 1 1 102 102 VAL N N 102 117.660 117.660 118.391 -0.731 11451 11172 1 15 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.093 0.318 11451 11173 1 15 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.712 -1.805 11451 11174 1 15 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.276 -1.906 11451 11175 1 15 . 1 1 102 102 VAL H H 102 7.700 7.700 7.942 -0.242 11451 11176 1 15 . 1 1 103 103 VAL N N 103 116.637 116.637 112.883 3.754 11451 11177 1 15 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.468 -0.115 11451 11178 1 15 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.604 1.055 11451 11179 1 15 . 1 1 103 103 VAL CB C 103 35.510 35.510 35.617 -0.107 11451 11180 1 15 . 1 1 103 103 VAL H H 103 7.753 7.753 7.184 0.570 11451 11181 1 15 . 1 1 104 104 ASP N N 104 118.510 118.510 121.609 -3.099 11451 11182 1 15 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.607 -0.352 11451 11183 1 15 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.054 0.446 11451 11184 1 15 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.179 -2.091 11451 11185 1 15 . 1 1 104 104 ASP H H 104 8.171 8.171 8.458 -0.287 11451 11186 1 15 . 1 1 105 105 ASN N N 105 128.132 128.132 123.149 4.983 11451 11187 1 15 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.756 0.323 11451 11188 1 15 . 1 1 105 105 ASN CA C 105 51.529 51.529 51.797 -0.268 11451 11189 1 15 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.683 -0.548 11451 11190 1 15 . 1 1 105 105 ASN H H 105 8.352 8.352 8.783 -0.431 11451 11191 1 15 . 1 1 106 106 ASP N N 106 121.636 121.636 119.469 2.167 11451 11192 1 15 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.585 -0.315 11451 11193 1 15 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.108 0.679 11451 11194 1 15 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.507 -0.702 11451 11195 1 15 . 1 1 106 106 ASP H H 106 8.203 8.203 8.467 -0.264 11451 11196 1 15 . 1 1 107 107 PHE N N 107 114.525 114.525 115.761 -1.236 11451 11197 1 15 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.600 -0.102 11451 11198 1 15 . 1 1 107 107 PHE CA C 107 57.395 57.395 58.398 -1.003 11451 11199 1 15 . 1 1 107 107 PHE CB C 107 36.780 36.780 37.939 -1.159 11451 11200 1 15 . 1 1 107 107 PHE H H 107 7.388 7.388 7.338 0.050 11451 11201 1 15 . 1 1 108 108 LEU N N 108 121.576 121.576 118.198 3.378 11451 11202 1 15 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.512 -0.046 11451 11203 1 15 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.339 -0.861 11451 11204 1 15 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.498 0.601 11451 11205 1 15 . 1 1 108 108 LEU H H 108 7.163 7.163 7.556 -0.393 11451 11206 1 15 . 1 1 109 109 ASN N N 109 116.121 116.121 117.881 -1.760 11451 11207 1 15 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.820 0.329 11451 11208 1 15 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.535 -0.565 11451 11209 1 15 . 1 1 109 109 ASN CB C 109 38.119 38.119 38.979 -0.860 11451 11210 1 15 . 1 1 109 109 ASN H H 109 7.312 7.312 7.473 -0.161 11451 11211 1 15 . 1 1 110 110 PHE N N 110 124.182 124.182 120.614 3.568 11451 11212 1 15 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.571 -0.319 11451 11213 1 15 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.737 -0.682 11451 11214 1 15 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.123 -0.330 11451 11215 1 15 . 1 1 110 110 PHE H H 110 8.825 8.825 8.003 0.822 11451 11216 1 15 . 1 1 111 111 SER N N 111 122.136 122.136 117.350 4.786 11451 11217 1 15 . 1 1 111 111 SER HA H 111 4.179 4.179 4.395 -0.216 11451 11218 1 15 . 1 1 111 111 SER CA C 111 57.521 57.521 58.028 -0.507 11451 11219 1 15 . 1 1 111 111 SER CB C 111 64.617 64.617 63.909 0.708 11451 11220 1 15 . 1 1 111 111 SER H H 111 9.456 9.456 7.136 2.320 11451 11221 1 15 . 1 1 112 112 GLY N N 112 110.435 110.435 107.522 2.913 11451 11222 1 15 . 1 1 112 112 GLY CA C 112 45.378 45.378 45.211 0.167 11451 11223 1 15 . 1 1 112 112 GLY H H 112 5.514 5.514 6.930 -1.416 11451 11224 1 15 . 1 1 113 113 GLU N N 113 118.926 118.926 116.869 2.057 11451 11225 1 15 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.436 -0.789 11451 11226 1 15 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.044 -2.074 11451 11227 1 15 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.087 -2.424 11451 11228 1 15 . 1 1 113 113 GLU H H 113 7.862 7.862 7.760 0.102 11451 11229 1 15 . 1 1 114 114 SER N N 114 119.323 119.323 112.069 7.254 11451 11230 1 15 . 1 1 114 114 SER HA H 114 4.625 4.625 4.805 -0.180 11451 11231 1 15 . 1 1 114 114 SER CA C 114 56.279 56.279 56.312 -0.033 11451 11232 1 15 . 1 1 114 114 SER H H 114 7.621 7.621 7.534 0.087 11451 11233 1 15 . 1 1 115 115 LEU N N 115 122.373 122.373 126.859 -4.486 11451 11234 1 15 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.110 0.007 11451 11235 1 15 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.683 1.277 11451 11236 1 15 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.675 -0.550 11451 11237 1 15 . 1 1 115 115 LEU H H 115 8.745 8.745 9.025 -0.280 11451 11238 1 15 . 1 1 116 116 GLN N N 116 114.490 114.490 115.784 -1.294 11451 11239 1 15 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.231 0.031 11451 11240 1 15 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.883 0.244 11451 11241 1 15 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.356 -0.159 11451 11242 1 15 . 1 1 116 116 GLN H H 116 8.292 8.292 8.352 -0.060 11451 11243 1 15 . 1 1 117 117 GLY N N 117 109.729 109.729 108.891 0.838 11451 11244 1 15 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.763 0.778 11451 11245 1 15 . 1 1 117 117 GLY H H 117 7.832 7.832 8.107 -0.275 11451 11246 1 15 . 1 1 118 118 TRP N N 118 123.807 123.807 123.285 0.522 11451 11247 1 15 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.965 -0.651 11451 11248 1 15 . 1 1 118 118 TRP CA C 118 62.294 62.294 53.892 8.402 11451 11249 1 15 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.130 2.038 11451 11250 1 15 . 1 1 118 118 TRP H H 118 7.801 7.801 7.758 0.043 11451 11251 1 15 . 1 1 119 119 GLY N N 119 124.815 124.815 110.893 13.922 11451 11252 1 15 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.073 0.246 11451 11253 1 15 . 1 1 119 119 GLY H H 119 7.438 7.438 8.002 -0.564 11451 11254 1 15 . 1 1 120 120 TYR N N 120 119.720 119.720 119.211 0.509 11451 11255 1 15 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.102 0.100 11451 11256 1 15 . 1 1 120 120 TYR CA C 120 57.319 57.319 56.907 0.412 11451 11257 1 15 . 1 1 120 120 TYR CB C 120 39.739 39.739 41.879 -2.139 11451 11258 1 15 . 1 1 120 120 TYR H H 120 8.281 8.281 8.488 -0.207 11451 11259 1 15 . 1 1 121 121 CYS N N 121 126.117 126.117 123.424 2.693 11451 11260 1 15 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.781 -0.542 11451 11261 1 15 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.009 1.688 11451 11262 1 15 . 1 1 121 121 CYS CB C 121 28.010 28.010 29.397 -1.387 11451 11263 1 15 . 1 1 121 121 CYS H H 121 9.818 9.818 9.088 0.730 11451 11264 1 15 . 1 1 122 122 VAL N N 122 106.168 106.168 129.628 -23.460 11451 11265 1 15 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.187 0.376 11451 11266 1 15 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.086 -0.436 11451 11267 1 15 . 1 1 122 122 VAL CB C 122 31.479 31.479 31.024 0.455 11451 11268 1 15 . 1 1 122 122 VAL H H 122 9.382 9.382 8.928 0.454 11451 11269 1 15 . 1 1 123 123 PHE N N 123 118.398 118.398 123.356 -4.958 11451 11270 1 15 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.500 0.361 11451 11271 1 15 . 1 1 123 123 PHE CA C 123 54.939 54.939 58.098 -3.159 11451 11272 1 15 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.384 2.256 11451 11273 1 15 . 1 1 123 123 PHE H H 123 7.842 7.842 7.877 -0.035 11451 11274 1 15 . 1 1 124 124 ALA N N 124 124.412 124.412 118.396 6.016 11451 11275 1 15 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.713 -0.063 11451 11276 1 15 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.561 0.198 11451 11277 1 15 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.796 1.839 11451 11278 1 15 . 1 1 124 124 ALA H H 124 7.327 7.327 7.036 0.291 11451 11279 1 15 . 1 1 125 125 GLU N N 125 115.272 115.272 118.060 -2.788 11451 11280 1 15 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.685 0.086 11451 11281 1 15 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.254 0.397 11451 11282 1 15 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.723 -0.953 11451 11283 1 15 . 1 1 125 125 GLU H H 125 8.223 8.223 8.260 -0.037 11451 11284 1 15 . 1 1 126 126 VAL N N 126 123.948 123.948 122.075 1.873 11451 11285 1 15 . 1 1 126 126 VAL HA H 126 3.909 3.909 4.003 -0.095 11451 11286 1 15 . 1 1 126 126 VAL CA C 126 63.265 63.265 62.788 0.477 11451 11287 1 15 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.448 -0.638 11451 11288 1 15 . 1 1 126 126 VAL H H 126 8.786 8.786 8.053 0.733 11451 11289 1 15 . 1 1 127 127 VAL N N 127 123.644 123.644 127.600 -3.956 11451 11290 1 15 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.225 0.125 11451 11291 1 15 . 1 1 127 127 VAL CA C 127 61.494 61.494 62.556 -1.062 11451 11292 1 15 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.446 0.036 11451 11293 1 15 . 1 1 127 127 VAL H H 127 9.096 9.096 8.941 0.155 11451 11294 1 15 . 1 1 128 128 ASP N N 128 121.165 121.165 118.893 2.272 11451 11295 1 15 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.805 0.117 11451 11296 1 15 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.710 0.691 11451 11297 1 15 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.377 -1.328 11451 11298 1 15 . 1 1 128 128 ASP H H 128 7.719 7.719 7.727 -0.008 11451 11299 1 15 . 1 1 129 129 GLY N N 129 110.821 110.821 108.190 2.631 11451 11300 1 15 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.604 0.157 11451 11301 1 15 . 1 1 129 129 GLY H H 129 8.276 8.276 8.946 -0.670 11451 11302 1 15 . 1 1 130 130 MET N N 130 122.991 122.991 120.383 2.608 11451 11303 1 15 . 1 1 130 130 MET HA H 130 4.468 4.468 4.197 0.271 11451 11304 1 15 . 1 1 130 130 MET CA C 130 55.953 55.953 57.068 -1.115 11451 11305 1 15 . 1 1 130 130 MET CB C 130 28.771 28.771 31.226 -2.454 11451 11306 1 15 . 1 1 130 130 MET H H 130 8.945 8.945 8.452 0.493 11451 11307 1 15 . 1 1 131 131 ASP N N 131 117.183 117.183 118.628 -1.445 11451 11308 1 15 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.452 -0.207 11451 11309 1 15 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.344 -0.706 11451 11310 1 15 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.355 -1.677 11451 11311 1 15 . 1 1 131 131 ASP H H 131 8.924 8.924 8.771 0.153 11451 11312 1 15 . 1 1 132 132 VAL N N 132 124.340 124.340 119.879 4.461 11451 11313 1 15 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.832 -0.393 11451 11314 1 15 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.114 0.901 11451 11315 1 15 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.426 -0.645 11451 11316 1 15 . 1 1 132 132 VAL H H 132 7.222 7.222 7.651 -0.429 11451 11317 1 15 . 1 1 133 133 VAL N N 133 121.730 121.730 121.443 0.287 11451 11318 1 15 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.465 -0.447 11451 11319 1 15 . 1 1 133 133 VAL CA C 133 67.076 67.076 67.412 -0.336 11451 11320 1 15 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.304 -0.484 11451 11321 1 15 . 1 1 133 133 VAL H H 133 7.367 7.367 8.334 -0.967 11451 11322 1 15 . 1 1 134 134 ASP N N 134 117.555 117.555 118.045 -0.490 11451 11323 1 15 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.332 -0.082 11451 11324 1 15 . 1 1 134 134 ASP CA C 134 56.263 56.263 57.117 -0.855 11451 11325 1 15 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.040 -1.228 11451 11326 1 15 . 1 1 134 134 ASP H H 134 8.411 8.411 8.353 0.058 11451 11327 1 15 . 1 1 135 135 LYS N N 135 122.646 122.646 119.778 2.868 11451 11328 1 15 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.168 -0.167 11451 11329 1 15 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.341 0.567 11451 11330 1 15 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.040 -0.030 11451 11331 1 15 . 1 1 135 135 LYS H H 135 7.418 7.418 7.298 0.120 11451 11332 1 15 . 1 1 136 136 ILE N N 136 121.613 121.613 117.923 3.690 11451 11333 1 15 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.471 -0.409 11451 11334 1 15 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.962 0.345 11451 11335 1 15 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.880 -0.581 11451 11336 1 15 . 1 1 136 136 ILE H H 136 8.075 8.075 8.413 -0.338 11451 11337 1 15 . 1 1 137 137 LYS N N 137 113.499 113.499 115.771 -2.272 11451 11338 1 15 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.210 -0.466 11451 11339 1 15 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.014 0.875 11451 11340 1 15 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.312 -0.957 11451 11341 1 15 . 1 1 137 137 LYS H H 137 7.976 7.976 7.585 0.391 11451 11342 1 15 . 1 1 138 138 GLY N N 138 104.829 104.829 106.602 -1.773 11451 11343 1 15 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.025 -0.844 11451 11344 1 15 . 1 1 138 138 GLY H H 138 6.858 6.858 7.589 -0.731 11451 11345 1 15 . 1 1 139 139 VAL N N 139 116.189 116.189 118.125 -1.936 11451 11346 1 15 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.912 0.171 11451 11347 1 15 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.483 -2.739 11451 11348 1 15 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.392 1.458 11451 11349 1 15 . 1 1 139 139 VAL H H 139 7.220 7.220 7.807 -0.587 11451 11350 1 15 . 1 1 140 140 ALA N N 140 123.097 123.097 121.811 1.286 11451 11351 1 15 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.571 -0.289 11451 11352 1 15 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.313 0.537 11451 11353 1 15 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.057 -1.685 11451 11354 1 15 . 1 1 140 140 ALA H H 140 8.262 8.262 8.004 0.258 11451 11355 1 15 . 1 1 141 141 THR N N 141 113.326 113.326 112.485 0.841 11451 11356 1 15 . 1 1 141 141 THR HA H 141 4.925 4.925 4.481 0.444 11451 11357 1 15 . 1 1 141 141 THR CA C 141 59.382 59.382 60.966 -1.584 11451 11358 1 15 . 1 1 141 141 THR CB C 141 73.286 73.286 71.301 1.985 11451 11359 1 15 . 1 1 141 141 THR H H 141 8.278 8.278 7.914 0.364 11451 11360 1 15 . 1 1 142 142 GLY N N 142 107.299 107.299 109.030 -1.731 11451 11361 1 15 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.544 -0.372 11451 11362 1 15 . 1 1 142 142 GLY H H 142 8.484 8.484 8.193 0.291 11451 11363 1 15 . 1 1 143 143 ARG N N 143 120.230 120.230 121.908 -1.678 11451 11364 1 15 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.204 0.593 11451 11365 1 15 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.253 -1.053 11451 11366 1 15 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.958 0.393 11451 11367 1 15 . 1 1 143 143 ARG H H 143 8.185 8.185 8.364 -0.179 11451 11368 1 15 . 1 1 144 144 SER N N 144 119.429 119.429 118.864 0.565 11451 11369 1 15 . 1 1 144 144 SER HA H 144 4.466 4.466 4.621 -0.155 11451 11370 1 15 . 1 1 144 144 SER CA C 144 56.856 56.856 56.646 0.210 11451 11371 1 15 . 1 1 144 144 SER CB C 144 63.174 63.174 66.227 -3.053 11451 11372 1 15 . 1 1 144 144 SER H H 144 8.427 8.427 8.516 -0.089 11451 11373 1 15 . 1 1 145 145 GLY N N 145 117.736 117.736 107.882 9.854 11451 11374 1 15 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.658 0.028 11451 11375 1 15 . 1 1 145 145 GLY H H 145 8.902 8.902 8.937 -0.035 11451 11376 1 15 . 1 1 146 146 MET N N 146 125.723 125.723 118.120 7.603 11451 11377 1 15 . 1 1 146 146 MET HA H 146 4.315 4.315 4.465 -0.150 11451 11378 1 15 . 1 1 146 146 MET CA C 146 55.431 55.431 56.016 -0.585 11451 11379 1 15 . 1 1 146 146 MET H H 146 8.827 8.827 7.507 1.320 11451 11380 1 15 . 1 1 147 147 HIS N N 147 121.581 121.581 116.840 4.741 11451 11381 1 15 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.828 -0.404 11451 11382 1 15 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.294 0.781 11451 11383 1 15 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.388 -0.795 11451 11384 1 15 . 1 1 147 147 HIS H H 147 8.010 8.010 8.146 -0.136 11451 11385 1 15 . 1 1 148 148 GLN N N 148 121.305 121.305 123.963 -2.658 11451 11386 1 15 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.373 0.097 11451 11387 1 15 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.948 -1.484 11451 11388 1 15 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.071 1.620 11451 11389 1 15 . 1 1 148 148 GLN H H 148 8.681 8.681 8.783 -0.102 11451 11390 1 15 . 1 1 149 149 ASP N N 149 117.085 117.085 118.788 -1.703 11451 11391 1 15 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.769 -0.290 11451 11392 1 15 . 1 1 149 149 ASP H H 149 8.635 8.635 8.847 -0.212 11451 11393 1 15 . 1 1 150 150 VAL N N 150 120.313 120.313 112.199 8.114 11451 11394 1 15 . 1 1 150 150 VAL HA H 150 4.379 4.379 5.026 -0.647 11451 11395 1 15 . 1 1 150 150 VAL CA C 150 59.168 59.168 57.990 1.178 11451 11396 1 15 . 1 1 150 150 VAL CB C 150 33.080 33.080 35.291 -2.211 11451 11397 1 15 . 1 1 150 150 VAL H H 150 8.470 8.470 7.512 0.958 11451 11398 1 15 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.602 -0.188 11451 11399 1 15 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.828 1.107 11451 11400 1 15 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.494 -0.318 11451 11401 1 15 . 1 1 152 152 LYS N N 152 125.675 125.675 120.935 4.740 11451 11402 1 15 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.241 -0.370 11451 11403 1 15 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.077 1.524 11451 11404 1 15 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.582 -0.797 11451 11405 1 15 . 1 1 152 152 LYS H H 152 8.169 8.169 8.466 -0.297 11451 11406 1 15 . 1 1 153 153 GLU N N 153 119.081 119.081 121.088 -2.007 11451 11407 1 15 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.367 0.028 11451 11408 1 15 . 1 1 153 153 GLU CA C 153 54.216 54.216 56.174 -1.958 11451 11409 1 15 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.385 0.353 11451 11410 1 15 . 1 1 153 153 GLU H H 153 7.960 7.960 8.276 -0.316 11451 11411 1 15 . 1 1 154 154 ASP N N 154 121.884 121.884 120.894 0.990 11451 11412 1 15 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.633 -0.401 11451 11413 1 15 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.909 2.191 11451 11414 1 15 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.200 -0.659 11451 11415 1 15 . 1 1 154 154 ASP H H 154 8.149 8.149 8.569 -0.420 11451 11416 1 15 . 1 1 155 155 VAL N N 155 129.777 129.777 125.404 4.373 11451 11417 1 15 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.490 -0.051 11451 11418 1 15 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.621 0.690 11451 11419 1 15 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.987 -1.518 11451 11420 1 15 . 1 1 155 155 VAL H H 155 10.043 10.043 8.608 1.435 11451 11421 1 15 . 1 1 156 156 ILE N N 156 125.807 125.807 123.120 2.687 11451 11422 1 15 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.146 -0.734 11451 11423 1 15 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.913 1.772 11451 11424 1 15 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.221 0.693 11451 11425 1 15 . 1 1 156 156 ILE H H 156 8.252 8.252 8.419 -0.167 11451 11426 1 15 . 1 1 157 157 ILE N N 157 126.581 126.581 125.677 0.904 11451 11427 1 15 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.322 -0.643 11451 11428 1 15 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.897 0.608 11451 11429 1 15 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.572 -0.200 11451 11430 1 15 . 1 1 157 157 ILE H H 157 9.168 9.168 9.179 -0.011 11451 11431 1 15 . 1 1 158 158 GLU N N 158 130.185 130.185 128.839 1.346 11451 11432 1 15 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.250 -0.210 11451 11433 1 15 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.869 0.037 11451 11434 1 15 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.658 -0.660 11451 11435 1 15 . 1 1 158 158 GLU H H 158 8.910 8.910 8.862 0.048 11451 11436 1 15 . 1 1 159 159 SER N N 159 108.037 108.037 111.669 -3.632 11451 11437 1 15 . 1 1 159 159 SER HA H 159 4.399 4.399 4.816 -0.417 11451 11438 1 15 . 1 1 159 159 SER CA C 159 57.505 57.505 57.581 -0.076 11451 11439 1 15 . 1 1 159 159 SER CB C 159 64.403 64.403 64.871 -0.468 11451 11440 1 15 . 1 1 159 159 SER H H 159 7.772 7.772 8.086 -0.314 11451 11441 1 15 . 1 1 160 160 VAL N N 160 119.790 119.790 121.463 -1.673 11451 11442 1 15 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.232 -0.057 11451 11443 1 15 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.150 -0.585 11451 11444 1 15 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.669 -0.654 11451 11445 1 15 . 1 1 160 160 VAL H H 160 7.681 7.681 8.220 -0.539 11451 11446 1 15 . 1 1 161 161 THR N N 161 122.628 122.628 122.913 -0.285 11451 11447 1 15 . 1 1 161 161 THR HA H 161 4.662 4.662 4.731 -0.069 11451 11448 1 15 . 1 1 161 161 THR CA C 161 61.452 61.452 61.229 0.223 11451 11449 1 15 . 1 1 161 161 THR CB C 161 70.781 70.781 71.376 -0.595 11451 11450 1 15 . 1 1 161 161 THR H H 161 8.817 8.817 9.233 -0.416 11451 11451 1 15 . 1 1 162 162 VAL N N 162 129.304 129.304 127.481 1.823 11451 11452 1 15 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.300 0.187 11451 11453 1 15 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.044 -0.287 11451 11454 1 15 . 1 1 162 162 VAL CB C 162 32.482 32.482 31.935 0.547 11451 11455 1 15 . 1 1 162 162 VAL H H 162 9.075 9.075 8.682 0.393 11451 11456 1 15 . 1 1 163 163 SER N N 163 123.979 123.979 123.917 0.062 11451 11457 1 15 . 1 1 163 163 SER HA H 163 4.601 4.601 4.742 -0.141 11451 11458 1 15 . 1 1 163 163 SER CA C 163 57.521 57.521 56.719 0.802 11451 11459 1 15 . 1 1 163 163 SER CB C 163 64.409 64.409 64.506 -0.097 11451 11460 1 15 . 1 1 163 163 SER H H 163 8.727 8.727 8.663 0.064 11451 11461 1 16 . 1 1 2 2 VAL N N 2 123.776 123.776 120.984 2.792 11451 11462 1 16 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.722 0.053 11451 11463 1 16 . 1 1 2 2 VAL CA C 2 61.024 61.024 61.120 -0.096 11451 11464 1 16 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.270 0.861 11451 11465 1 16 . 1 1 2 2 VAL H H 2 8.961 8.961 8.872 0.089 11451 11466 1 16 . 1 1 3 3 THR N N 3 121.749 121.749 123.850 -2.101 11451 11467 1 16 . 1 1 3 3 THR HA H 3 5.053 5.053 4.907 0.146 11451 11468 1 16 . 1 1 3 3 THR CA C 3 61.176 61.176 61.504 -0.328 11451 11469 1 16 . 1 1 3 3 THR CB C 3 70.356 70.356 69.600 0.756 11451 11470 1 16 . 1 1 3 3 THR H H 3 8.912 8.912 9.104 -0.192 11451 11471 1 16 . 1 1 4 4 PHE N N 4 125.726 125.726 126.391 -0.665 11451 11472 1 16 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.928 -0.133 11451 11473 1 16 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.335 -1.324 11451 11474 1 16 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.077 -1.356 11451 11475 1 16 . 1 1 4 4 PHE H H 4 9.442 9.442 9.155 0.287 11451 11476 1 16 . 1 1 5 5 HIS N N 5 125.337 125.337 123.581 1.756 11451 11477 1 16 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.104 0.245 11451 11478 1 16 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.041 -0.733 11451 11479 1 16 . 1 1 5 5 HIS CB C 5 26.517 26.517 29.904 -3.387 11451 11480 1 16 . 1 1 5 5 HIS H H 5 8.897 8.897 9.489 -0.592 11451 11481 1 16 . 1 1 6 6 THR N N 6 115.752 115.752 116.990 -1.238 11451 11482 1 16 . 1 1 6 6 THR HA H 6 6.126 6.126 5.202 0.924 11451 11483 1 16 . 1 1 6 6 THR CA C 6 60.220 60.220 59.080 1.140 11451 11484 1 16 . 1 1 6 6 THR CB C 6 72.515 72.515 71.330 1.185 11451 11485 1 16 . 1 1 6 6 THR H H 6 7.881 7.881 8.292 -0.411 11451 11486 1 16 . 1 1 7 7 ASN N N 7 119.451 119.451 123.790 -4.339 11451 11487 1 16 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.545 0.030 11451 11488 1 16 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.949 -0.456 11451 11489 1 16 . 1 1 7 7 ASN CB C 7 35.334 35.334 37.905 -2.571 11451 11490 1 16 . 1 1 7 7 ASN H H 7 9.334 9.334 9.092 0.242 11451 11491 1 16 . 1 1 8 8 HIS N N 8 118.490 118.490 116.770 1.720 11451 11492 1 16 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.782 -0.291 11451 11493 1 16 . 1 1 8 8 HIS CA C 8 56.790 56.790 56.860 -0.070 11451 11494 1 16 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.408 1.226 11451 11495 1 16 . 1 1 8 8 HIS H H 8 8.663 8.663 7.606 1.057 11451 11496 1 16 . 1 1 9 9 GLY N N 9 108.550 108.550 106.602 1.948 11451 11497 1 16 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.524 -0.924 11451 11498 1 16 . 1 1 9 9 GLY H H 9 7.320 7.320 7.610 -0.290 11451 11499 1 16 . 1 1 10 10 ASP N N 10 123.900 123.900 121.402 2.498 11451 11500 1 16 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.348 0.272 11451 11501 1 16 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.399 -0.089 11451 11502 1 16 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.995 -0.495 11451 11503 1 16 . 1 1 10 10 ASP H H 10 8.857 8.857 8.474 0.383 11451 11504 1 16 . 1 1 11 11 ILE N N 11 121.150 121.150 123.421 -2.271 11451 11505 1 16 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.550 -0.214 11451 11506 1 16 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.262 1.014 11451 11507 1 16 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.102 -0.443 11451 11508 1 16 . 1 1 11 11 ILE H H 11 8.638 8.638 8.797 -0.159 11451 11509 1 16 . 1 1 12 12 VAL N N 12 129.487 129.487 125.422 4.065 11451 11510 1 16 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.688 -0.157 11451 11511 1 16 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.966 1.344 11451 11512 1 16 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.442 -2.200 11451 11513 1 16 . 1 1 12 12 VAL H H 12 8.771 8.771 8.919 -0.148 11451 11514 1 16 . 1 1 13 13 ILE N N 13 127.702 127.702 126.586 1.116 11451 11515 1 16 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.746 -0.076 11451 11516 1 16 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.428 0.310 11451 11517 1 16 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.654 -0.095 11451 11518 1 16 . 1 1 13 13 ILE H H 13 9.527 9.527 9.055 0.472 11451 11519 1 16 . 1 1 14 14 LYS N N 14 126.574 126.574 126.296 0.278 11451 11520 1 16 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.620 0.157 11451 11521 1 16 . 1 1 14 14 LYS CA C 14 53.843 53.843 53.869 -0.026 11451 11522 1 16 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.391 1.109 11451 11523 1 16 . 1 1 14 14 LYS H H 14 8.684 8.684 8.766 -0.082 11451 11524 1 16 . 1 1 15 15 THR N N 15 113.811 113.811 117.130 -3.319 11451 11525 1 16 . 1 1 15 15 THR HA H 15 4.130 4.130 4.330 -0.200 11451 11526 1 16 . 1 1 15 15 THR CA C 15 59.806 59.806 60.520 -0.714 11451 11527 1 16 . 1 1 15 15 THR CB C 15 69.319 69.319 69.767 -0.449 11451 11528 1 16 . 1 1 15 15 THR H H 15 8.343 8.343 8.310 0.033 11451 11529 1 16 . 1 1 16 16 PHE N N 16 122.611 122.611 123.933 -1.322 11451 11530 1 16 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.795 0.479 11451 11531 1 16 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.791 -1.501 11451 11532 1 16 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.756 -0.386 11451 11533 1 16 . 1 1 16 16 PHE H H 16 8.315 8.315 8.941 -0.626 11451 11534 1 16 . 1 1 17 17 ASP N N 17 120.182 120.182 123.224 -3.042 11451 11535 1 16 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.568 -0.806 11451 11536 1 16 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.611 0.347 11451 11537 1 16 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.968 -2.019 11451 11538 1 16 . 1 1 17 17 ASP H H 17 9.106 9.106 8.170 0.936 11451 11539 1 16 . 1 1 18 18 ASP N N 18 111.686 111.686 118.523 -6.837 11451 11540 1 16 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.514 -0.139 11451 11541 1 16 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.710 -1.687 11451 11542 1 16 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.633 -0.870 11451 11543 1 16 . 1 1 18 18 ASP H H 18 8.584 8.584 8.752 -0.168 11451 11544 1 16 . 1 1 19 19 LYS N N 19 118.003 118.003 116.687 1.316 11451 11545 1 16 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.381 0.055 11451 11546 1 16 . 1 1 19 19 LYS CA C 19 55.387 55.387 56.481 -1.094 11451 11547 1 16 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.499 0.368 11451 11548 1 16 . 1 1 19 19 LYS H H 19 7.333 7.333 7.966 -0.633 11451 11549 1 16 . 1 1 20 20 ALA N N 20 123.657 123.657 121.841 1.816 11451 11550 1 16 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.190 -0.572 11451 11551 1 16 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.749 -0.632 11451 11552 1 16 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.931 -0.696 11451 11553 1 16 . 1 1 20 20 ALA H H 20 7.560 7.560 8.249 -0.689 11451 11554 1 16 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.282 0.142 11451 11555 1 16 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.658 0.619 11451 11556 1 16 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.779 -0.271 11451 11557 1 16 . 1 1 22 22 GLU N N 22 122.557 122.557 118.731 3.826 11451 11558 1 16 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.147 -0.135 11451 11559 1 16 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.120 0.504 11451 11560 1 16 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.027 -0.547 11451 11561 1 16 . 1 1 22 22 GLU H H 22 9.855 9.855 8.275 1.580 11451 11562 1 16 . 1 1 23 23 THR N N 23 122.201 122.201 118.121 4.080 11451 11563 1 16 . 1 1 23 23 THR HA H 23 3.584 3.584 4.034 -0.450 11451 11564 1 16 . 1 1 23 23 THR CA C 23 66.554 66.554 67.044 -0.490 11451 11565 1 16 . 1 1 23 23 THR CB C 23 67.614 67.614 68.970 -1.356 11451 11566 1 16 . 1 1 23 23 THR H H 23 9.390 9.390 8.716 0.674 11451 11567 1 16 . 1 1 24 24 VAL N N 24 125.111 125.111 121.677 3.434 11451 11568 1 16 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.868 -0.383 11451 11569 1 16 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.830 1.477 11451 11570 1 16 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.415 -0.526 11451 11571 1 16 . 1 1 24 24 VAL H H 24 9.359 9.359 8.479 0.880 11451 11572 1 16 . 1 1 25 25 LYS N N 25 121.050 121.050 120.553 0.497 11451 11573 1 16 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.939 -0.071 11451 11574 1 16 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.663 0.575 11451 11575 1 16 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.937 -0.240 11451 11576 1 16 . 1 1 25 25 LYS H H 25 7.686 7.686 8.594 -0.908 11451 11577 1 16 . 1 1 26 26 ASN N N 26 116.337 116.337 117.332 -0.995 11451 11578 1 16 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.425 -0.369 11451 11579 1 16 . 1 1 26 26 ASN CA C 26 56.559 56.559 55.827 0.732 11451 11580 1 16 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.291 2.401 11451 11581 1 16 . 1 1 26 26 ASN H H 26 7.535 7.535 7.609 -0.074 11451 11582 1 16 . 1 1 27 27 PHE N N 27 119.858 119.858 121.873 -2.015 11451 11583 1 16 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.472 0.067 11451 11584 1 16 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.441 -0.508 11451 11585 1 16 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.031 0.800 11451 11586 1 16 . 1 1 27 27 PHE H H 27 7.867 7.867 7.852 0.015 11451 11587 1 16 . 1 1 28 28 LEU N N 28 120.761 120.761 119.692 1.069 11451 11588 1 16 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.735 0.008 11451 11589 1 16 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.104 -0.236 11451 11590 1 16 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.381 -0.127 11451 11591 1 16 . 1 1 28 28 LEU H H 28 9.377 9.377 8.646 0.731 11451 11592 1 16 . 1 1 29 29 ASP N N 29 121.607 121.607 119.052 2.555 11451 11593 1 16 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.342 -0.047 11451 11594 1 16 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.429 0.400 11451 11595 1 16 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.419 -1.393 11451 11596 1 16 . 1 1 29 29 ASP H H 29 8.374 8.374 8.496 -0.122 11451 11597 1 16 . 1 1 30 30 TYR N N 30 118.959 118.959 119.958 -0.999 11451 11598 1 16 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.290 -0.285 11451 11599 1 16 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.580 0.167 11451 11600 1 16 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.206 -0.467 11451 11601 1 16 . 1 1 30 30 TYR H H 30 7.287 7.287 7.840 -0.553 11451 11602 1 16 . 1 1 31 31 CYS N N 31 116.202 116.202 119.131 -2.929 11451 11603 1 16 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.270 -0.236 11451 11604 1 16 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.755 0.647 11451 11605 1 16 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.488 -0.267 11451 11606 1 16 . 1 1 31 31 CYS H H 31 8.336 8.336 8.179 0.157 11451 11607 1 16 . 1 1 32 32 ARG N N 32 121.949 121.949 120.524 1.425 11451 11608 1 16 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.037 -0.175 11451 11609 1 16 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.926 0.793 11451 11610 1 16 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.234 0.140 11451 11611 1 16 . 1 1 32 32 ARG H H 32 9.077 9.077 8.343 0.734 11451 11612 1 16 . 1 1 33 33 GLU N N 33 116.667 116.667 116.568 0.099 11451 11613 1 16 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.352 -0.165 11451 11614 1 16 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.472 -0.024 11451 11615 1 16 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.998 -0.740 11451 11616 1 16 . 1 1 33 33 GLU H H 33 7.920 7.920 7.739 0.181 11451 11617 1 16 . 1 1 34 34 GLY N N 34 107.273 107.273 106.511 0.762 11451 11618 1 16 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.207 0.191 11451 11619 1 16 . 1 1 34 34 GLY H H 34 7.533 7.533 7.609 -0.076 11451 11620 1 16 . 1 1 35 35 PHE N N 35 122.134 122.134 121.612 0.522 11451 11621 1 16 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.292 -0.627 11451 11622 1 16 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.938 1.667 11451 11623 1 16 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.380 0.690 11451 11624 1 16 . 1 1 35 35 PHE H H 35 8.129 8.129 8.512 -0.383 11451 11625 1 16 . 1 1 36 36 TYR N N 36 111.250 111.250 115.790 -4.540 11451 11626 1 16 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.424 -0.100 11451 11627 1 16 . 1 1 36 36 TYR CA C 36 57.678 57.678 59.709 -2.031 11451 11628 1 16 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.322 -0.862 11451 11629 1 16 . 1 1 36 36 TYR H H 36 7.355 7.355 8.499 -1.144 11451 11630 1 16 . 1 1 37 37 ASN N N 37 121.890 121.890 118.147 3.743 11451 11631 1 16 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.674 -0.849 11451 11632 1 16 . 1 1 37 37 ASN CA C 37 54.179 54.179 55.080 -0.901 11451 11633 1 16 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.690 -2.835 11451 11634 1 16 . 1 1 37 37 ASN H H 37 7.106 7.106 7.791 -0.685 11451 11635 1 16 . 1 1 38 38 ASN N N 38 121.572 121.572 116.689 4.883 11451 11636 1 16 . 1 1 38 38 ASN HA H 38 4.048 4.048 5.095 -1.047 11451 11637 1 16 . 1 1 38 38 ASN CA C 38 54.720 54.720 52.325 2.394 11451 11638 1 16 . 1 1 38 38 ASN CB C 38 38.538 38.538 39.190 -0.652 11451 11639 1 16 . 1 1 38 38 ASN H H 38 9.235 9.235 7.961 1.274 11451 11640 1 16 . 1 1 39 39 THR N N 39 104.540 104.540 111.971 -7.431 11451 11641 1 16 . 1 1 39 39 THR HA H 39 5.006 5.006 5.423 -0.417 11451 11642 1 16 . 1 1 39 39 THR CA C 39 59.979 59.979 59.709 0.270 11451 11643 1 16 . 1 1 39 39 THR CB C 39 72.789 72.789 71.693 1.096 11451 11644 1 16 . 1 1 39 39 THR H H 39 7.328 7.328 7.559 -0.231 11451 11645 1 16 . 1 1 40 40 ILE N N 40 108.904 108.904 114.338 -5.434 11451 11646 1 16 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.214 0.455 11451 11647 1 16 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.528 0.272 11451 11648 1 16 . 1 1 40 40 ILE CB C 40 39.724 39.724 42.222 -2.498 11451 11649 1 16 . 1 1 40 40 ILE H H 40 7.943 7.943 8.132 -0.189 11451 11650 1 16 . 1 1 41 41 PHE N N 41 122.068 122.068 121.210 0.858 11451 11651 1 16 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.849 0.111 11451 11652 1 16 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.728 1.089 11451 11653 1 16 . 1 1 41 41 PHE CB C 41 37.410 37.410 39.440 -2.030 11451 11654 1 16 . 1 1 41 41 PHE H H 41 8.289 8.289 8.465 -0.176 11451 11655 1 16 . 1 1 42 42 HIS N N 42 121.477 121.477 119.477 2.000 11451 11656 1 16 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.695 -0.419 11451 11657 1 16 . 1 1 42 42 HIS CA C 42 56.598 56.598 55.058 1.540 11451 11658 1 16 . 1 1 42 42 HIS CB C 42 31.663 31.663 31.234 0.429 11451 11659 1 16 . 1 1 42 42 HIS H H 42 7.862 7.862 8.109 -0.247 11451 11660 1 16 . 1 1 43 43 ARG N N 43 123.403 123.403 120.048 3.355 11451 11661 1 16 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.770 -0.154 11451 11662 1 16 . 1 1 43 43 ARG CA C 43 55.318 55.318 55.264 0.054 11451 11663 1 16 . 1 1 43 43 ARG CB C 43 32.275 32.275 32.880 -0.605 11451 11664 1 16 . 1 1 43 43 ARG H H 43 6.933 6.933 7.309 -0.377 11451 11665 1 16 . 1 1 44 44 VAL N N 44 129.359 129.359 125.283 4.076 11451 11666 1 16 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.666 -0.526 11451 11667 1 16 . 1 1 44 44 VAL CA C 44 62.374 62.374 59.802 2.572 11451 11668 1 16 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.813 -0.622 11451 11669 1 16 . 1 1 44 44 VAL H H 44 9.023 9.023 8.803 0.220 11451 11670 1 16 . 1 1 45 45 ILE N N 45 126.532 126.532 126.334 0.198 11451 11671 1 16 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.384 -0.148 11451 11672 1 16 . 1 1 45 45 ILE CA C 45 60.464 60.464 60.030 0.434 11451 11673 1 16 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.770 -1.820 11451 11674 1 16 . 1 1 45 45 ILE H H 45 8.243 8.243 7.999 0.244 11451 11675 1 16 . 1 1 46 46 ASN N N 46 128.015 128.015 127.640 0.375 11451 11676 1 16 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.629 -0.468 11451 11677 1 16 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.542 -0.201 11451 11678 1 16 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.486 -1.812 11451 11679 1 16 . 1 1 46 46 ASN H H 46 9.127 9.127 8.794 0.333 11451 11680 1 16 . 1 1 47 47 GLY N N 47 110.314 110.314 108.573 1.741 11451 11681 1 16 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.512 0.118 11451 11682 1 16 . 1 1 47 47 GLY H H 47 7.542 7.542 8.908 -1.366 11451 11683 1 16 . 1 1 48 48 PHE N N 48 116.701 116.701 118.942 -2.241 11451 11684 1 16 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.834 0.308 11451 11685 1 16 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.256 1.244 11451 11686 1 16 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.002 -2.674 11451 11687 1 16 . 1 1 48 48 PHE H H 48 7.800 7.800 7.677 0.123 11451 11688 1 16 . 1 1 49 49 MET N N 49 117.710 117.710 117.198 0.512 11451 11689 1 16 . 1 1 49 49 MET HA H 49 5.027 5.027 4.499 0.528 11451 11690 1 16 . 1 1 49 49 MET CA C 49 55.009 55.009 53.343 1.666 11451 11691 1 16 . 1 1 49 49 MET CB C 49 35.120 35.120 33.047 2.073 11451 11692 1 16 . 1 1 49 49 MET H H 49 8.363 8.363 6.824 1.539 11451 11693 1 16 . 1 1 50 50 ILE N N 50 110.774 110.774 112.393 -1.619 11451 11694 1 16 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.938 -0.071 11451 11695 1 16 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.258 0.477 11451 11696 1 16 . 1 1 50 50 ILE CB C 50 40.261 40.261 41.479 -1.218 11451 11697 1 16 . 1 1 50 50 ILE H H 50 7.749 7.749 7.832 -0.083 11451 11698 1 16 . 1 1 51 51 GLN N N 51 127.997 127.997 124.238 3.759 11451 11699 1 16 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.071 0.130 11451 11700 1 16 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.649 0.403 11451 11701 1 16 . 1 1 51 51 GLN CB C 51 31.684 31.684 33.128 -1.444 11451 11702 1 16 . 1 1 51 51 GLN H H 51 9.198 9.198 8.729 0.469 11451 11703 1 16 . 1 1 52 52 GLY N N 52 111.413 111.413 108.248 3.165 11451 11704 1 16 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.394 0.899 11451 11705 1 16 . 1 1 52 52 GLY H H 52 8.037 8.037 8.466 -0.429 11451 11706 1 16 . 1 1 53 53 GLY N N 53 106.177 106.177 106.021 0.156 11451 11707 1 16 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.291 -0.214 11451 11708 1 16 . 1 1 53 53 GLY H H 53 8.334 8.334 8.339 -0.005 11451 11709 1 16 . 1 1 54 54 GLY N N 54 129.939 129.939 106.545 23.394 11451 11710 1 16 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.058 0.354 11451 11711 1 16 . 1 1 54 54 GLY H H 54 9.068 9.068 8.460 0.608 11451 11712 1 16 . 1 1 55 55 PHE N N 55 121.195 121.195 116.545 4.650 11451 11713 1 16 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.960 -0.073 11451 11714 1 16 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.223 0.475 11451 11715 1 16 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.717 -0.870 11451 11716 1 16 . 1 1 55 55 PHE H H 55 9.329 9.329 7.240 2.089 11451 11717 1 16 . 1 1 56 56 GLU N N 56 120.126 120.126 119.662 0.464 11451 11718 1 16 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.084 -0.236 11451 11719 1 16 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.403 0.796 11451 11720 1 16 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.090 -0.638 11451 11721 1 16 . 1 1 56 56 GLU H H 56 8.531 8.531 8.132 0.399 11451 11722 1 16 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.327 -0.337 11451 11723 1 16 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.531 0.332 11451 11724 1 16 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.580 -0.712 11451 11725 1 16 . 1 1 58 58 GLY N N 58 113.477 113.477 105.492 7.985 11451 11726 1 16 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.170 0.195 11451 11727 1 16 . 1 1 58 58 GLY H H 58 9.454 9.454 8.031 1.423 11451 11728 1 16 . 1 1 59 59 MET N N 59 114.007 114.007 116.977 -2.970 11451 11729 1 16 . 1 1 59 59 MET HA H 59 3.946 3.946 3.961 -0.015 11451 11730 1 16 . 1 1 59 59 MET CA C 59 54.650 54.650 55.815 -1.165 11451 11731 1 16 . 1 1 59 59 MET CB C 59 25.875 25.875 29.072 -3.197 11451 11732 1 16 . 1 1 59 59 MET H H 59 8.027 8.027 7.947 0.080 11451 11733 1 16 . 1 1 60 60 LYS N N 60 120.420 120.420 119.866 0.554 11451 11734 1 16 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.505 -0.039 11451 11735 1 16 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.496 -0.538 11451 11736 1 16 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.100 -0.790 11451 11737 1 16 . 1 1 60 60 LYS H H 60 6.996 6.996 7.728 -0.732 11451 11738 1 16 . 1 1 61 61 GLN N N 61 130.250 130.250 125.807 4.443 11451 11739 1 16 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.097 -0.711 11451 11740 1 16 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.256 0.523 11451 11741 1 16 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.467 -1.026 11451 11742 1 16 . 1 1 61 61 GLN H H 61 8.965 8.965 8.698 0.267 11451 11743 1 16 . 1 1 62 62 LYS N N 62 126.196 126.196 124.827 1.369 11451 11744 1 16 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.249 -0.119 11451 11745 1 16 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.882 0.808 11451 11746 1 16 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.493 0.279 11451 11747 1 16 . 1 1 62 62 LYS H H 62 7.323 7.323 8.032 -0.709 11451 11748 1 16 . 1 1 63 63 ALA N N 63 127.588 127.588 125.371 2.217 11451 11749 1 16 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.416 -0.132 11451 11750 1 16 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.588 1.057 11451 11751 1 16 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.345 1.028 11451 11752 1 16 . 1 1 63 63 ALA H H 63 8.458 8.458 8.696 -0.238 11451 11753 1 16 . 1 1 64 64 THR N N 64 111.370 111.370 116.007 -4.637 11451 11754 1 16 . 1 1 64 64 THR HA H 64 4.550 4.550 4.292 0.258 11451 11755 1 16 . 1 1 64 64 THR CA C 64 60.554 60.554 62.464 -1.910 11451 11756 1 16 . 1 1 64 64 THR CB C 64 71.700 71.700 68.592 3.108 11451 11757 1 16 . 1 1 64 64 THR H H 64 8.122 8.122 7.855 0.267 11451 11758 1 16 . 1 1 65 65 LYS N N 65 118.451 118.451 126.705 -8.254 11451 11759 1 16 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.499 -0.080 11451 11760 1 16 . 1 1 65 65 LYS CA C 65 55.346 55.346 54.857 0.489 11451 11761 1 16 . 1 1 65 65 LYS CB C 65 32.482 32.482 34.174 -1.692 11451 11762 1 16 . 1 1 65 65 LYS H H 65 7.879 7.879 8.192 -0.313 11451 11763 1 16 . 1 1 66 66 GLU N N 66 118.805 118.805 118.937 -0.132 11451 11764 1 16 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.150 0.007 11451 11765 1 16 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.502 -0.620 11451 11766 1 16 . 1 1 66 66 GLU CB C 66 28.350 28.350 27.774 0.576 11451 11767 1 16 . 1 1 66 66 GLU H H 66 7.872 7.872 8.739 -0.867 11451 11768 1 16 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.398 0.456 11451 11769 1 16 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.416 -1.261 11451 11770 1 16 . 1 1 67 67 PRO CB C 67 32.690 32.690 31.979 0.711 11451 11771 1 16 . 1 1 68 68 ILE N N 68 112.686 112.686 120.900 -8.214 11451 11772 1 16 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.369 0.068 11451 11773 1 16 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.225 -0.254 11451 11774 1 16 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.933 0.592 11451 11775 1 16 . 1 1 68 68 ILE H H 68 8.235 8.235 7.928 0.307 11451 11776 1 16 . 1 1 69 69 LYS N N 69 121.199 121.199 123.438 -2.239 11451 11777 1 16 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.593 -0.652 11451 11778 1 16 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.396 -0.336 11451 11779 1 16 . 1 1 69 69 LYS CB C 69 32.140 32.140 33.077 -0.937 11451 11780 1 16 . 1 1 69 69 LYS H H 69 7.849 7.849 8.397 -0.548 11451 11781 1 16 . 1 1 70 70 ASN N N 70 126.585 126.585 120.029 6.556 11451 11782 1 16 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.677 -0.455 11451 11783 1 16 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.690 -0.362 11451 11784 1 16 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.737 -1.600 11451 11785 1 16 . 1 1 70 70 ASN H H 70 10.816 10.816 8.832 1.984 11451 11786 1 16 . 1 1 71 71 GLU N N 71 126.223 126.223 124.733 1.490 11451 11787 1 16 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.824 -0.171 11451 11788 1 16 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.638 -1.041 11451 11789 1 16 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.599 0.182 11451 11790 1 16 . 1 1 71 71 GLU H H 71 8.202 8.202 8.877 -0.675 11451 11791 1 16 . 1 1 72 72 ALA N N 72 120.736 120.736 123.216 -2.480 11451 11792 1 16 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.131 0.101 11451 11793 1 16 . 1 1 72 72 ALA CA C 72 55.120 55.120 55.041 0.079 11451 11794 1 16 . 1 1 72 72 ALA CB C 72 18.506 18.506 18.993 -0.487 11451 11795 1 16 . 1 1 72 72 ALA H H 72 9.149 9.149 8.979 0.170 11451 11796 1 16 . 1 1 73 73 ASN N N 73 114.744 114.744 116.053 -1.309 11451 11797 1 16 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.431 0.750 11451 11798 1 16 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.939 -1.608 11451 11799 1 16 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.500 -1.824 11451 11800 1 16 . 1 1 73 73 ASN H H 73 7.892 7.892 8.583 -0.691 11451 11801 1 16 . 1 1 74 74 ASN N N 74 119.796 119.796 117.421 2.375 11451 11802 1 16 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.551 -0.172 11451 11803 1 16 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.857 -1.090 11451 11804 1 16 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.779 -0.364 11451 11805 1 16 . 1 1 74 74 ASN H H 74 8.408 8.408 7.327 1.081 11451 11806 1 16 . 1 1 75 75 GLY N N 75 108.891 108.891 107.496 1.395 11451 11807 1 16 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.174 0.453 11451 11808 1 16 . 1 1 75 75 GLY H H 75 7.971 7.971 7.779 0.192 11451 11809 1 16 . 1 1 76 76 LEU N N 76 120.602 120.602 119.107 1.495 11451 11810 1 16 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.355 -0.044 11451 11811 1 16 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.881 -0.282 11451 11812 1 16 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.899 -1.811 11451 11813 1 16 . 1 1 76 76 LEU H H 76 7.734 7.734 7.238 0.496 11451 11814 1 16 . 1 1 77 77 LYS N N 77 121.982 121.982 119.288 2.694 11451 11815 1 16 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.830 -0.380 11451 11816 1 16 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.844 0.157 11451 11817 1 16 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.870 -1.170 11451 11818 1 16 . 1 1 77 77 LYS H H 77 8.161 8.161 8.250 -0.089 11451 11819 1 16 . 1 1 78 78 ASN N N 78 124.764 124.764 121.406 3.358 11451 11820 1 16 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.140 -0.473 11451 11821 1 16 . 1 1 78 78 ASN CA C 78 54.314 54.314 52.766 1.548 11451 11822 1 16 . 1 1 78 78 ASN CB C 78 37.130 37.130 40.553 -3.424 11451 11823 1 16 . 1 1 78 78 ASN H H 78 9.564 9.564 9.280 0.284 11451 11824 1 16 . 1 1 79 79 THR N N 79 114.955 114.955 113.881 1.074 11451 11825 1 16 . 1 1 79 79 THR HA H 79 4.263 4.263 4.841 -0.578 11451 11826 1 16 . 1 1 79 79 THR CA C 79 60.774 60.774 60.395 0.379 11451 11827 1 16 . 1 1 79 79 THR CB C 79 70.347 70.347 72.016 -1.669 11451 11828 1 16 . 1 1 79 79 THR H H 79 8.190 8.190 8.613 -0.423 11451 11829 1 16 . 1 1 80 80 ARG N N 80 124.080 124.080 122.327 1.753 11451 11830 1 16 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.984 -0.781 11451 11831 1 16 . 1 1 80 80 ARG CA C 80 58.487 58.487 56.946 1.541 11451 11832 1 16 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.412 -0.503 11451 11833 1 16 . 1 1 80 80 ARG H H 80 9.203 9.203 9.248 -0.045 11451 11834 1 16 . 1 1 81 81 GLY N N 81 115.741 115.741 113.877 1.864 11451 11835 1 16 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.252 -0.181 11451 11836 1 16 . 1 1 81 81 GLY H H 81 8.976 8.976 9.319 -0.343 11451 11837 1 16 . 1 1 82 82 THR N N 82 110.362 110.362 111.168 -0.806 11451 11838 1 16 . 1 1 82 82 THR HA H 82 4.623 4.623 4.646 -0.023 11451 11839 1 16 . 1 1 82 82 THR CA C 82 61.694 61.694 59.810 1.884 11451 11840 1 16 . 1 1 82 82 THR CB C 82 72.230 72.230 71.621 0.609 11451 11841 1 16 . 1 1 82 82 THR H H 82 8.070 8.070 7.567 0.503 11451 11842 1 16 . 1 1 83 83 LEU N N 83 121.341 121.341 122.515 -1.174 11451 11843 1 16 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.342 -0.123 11451 11844 1 16 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.990 0.360 11451 11845 1 16 . 1 1 83 83 LEU CB C 83 43.519 43.519 46.105 -2.586 11451 11846 1 16 . 1 1 83 83 LEU H H 83 7.918 7.918 8.219 -0.301 11451 11847 1 16 . 1 1 84 84 ALA N N 84 121.663 121.663 123.550 -1.887 11451 11848 1 16 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.266 0.251 11451 11849 1 16 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.684 -0.615 11451 11850 1 16 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.542 1.443 11451 11851 1 16 . 1 1 84 84 ALA H H 84 8.053 8.053 8.097 -0.044 11451 11852 1 16 . 1 1 85 85 MET N N 85 115.338 115.338 119.012 -3.674 11451 11853 1 16 . 1 1 85 85 MET HA H 85 5.241 5.241 4.696 0.545 11451 11854 1 16 . 1 1 85 85 MET CA C 85 52.707 52.707 52.903 -0.196 11451 11855 1 16 . 1 1 85 85 MET CB C 85 29.801 29.801 32.125 -2.324 11451 11856 1 16 . 1 1 85 85 MET H H 85 7.539 7.539 8.309 -0.770 11451 11857 1 16 . 1 1 86 86 ALA N N 86 126.558 126.558 126.333 0.225 11451 11858 1 16 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.996 -0.313 11451 11859 1 16 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.082 0.125 11451 11860 1 16 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.397 -0.981 11451 11861 1 16 . 1 1 86 86 ALA H H 86 8.287 8.287 8.769 -0.482 11451 11862 1 16 . 1 1 87 87 ARG N N 87 113.623 113.623 121.146 -7.523 11451 11863 1 16 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.552 0.082 11451 11864 1 16 . 1 1 87 87 ARG CA C 87 55.768 55.768 56.068 -0.300 11451 11865 1 16 . 1 1 87 87 ARG CB C 87 29.722 29.722 30.680 -0.958 11451 11866 1 16 . 1 1 87 87 ARG H H 87 8.031 8.031 8.708 -0.677 11451 11867 1 16 . 1 1 88 88 THR N N 88 111.627 111.627 115.719 -4.092 11451 11868 1 16 . 1 1 88 88 THR HA H 88 4.624 4.624 4.281 0.343 11451 11869 1 16 . 1 1 88 88 THR CA C 88 60.554 60.554 65.370 -4.816 11451 11870 1 16 . 1 1 88 88 THR CB C 88 68.430 68.430 69.613 -1.183 11451 11871 1 16 . 1 1 88 88 THR H H 88 7.892 7.892 8.471 -0.579 11451 11872 1 16 . 1 1 89 89 GLN N N 89 117.361 117.361 117.372 -0.011 11451 11873 1 16 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.435 -0.584 11451 11874 1 16 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.753 2.158 11451 11875 1 16 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.027 -1.657 11451 11876 1 16 . 1 1 89 89 GLN H H 89 8.188 8.188 8.348 -0.160 11451 11877 1 16 . 1 1 90 90 ALA N N 90 122.998 122.998 124.370 -1.372 11451 11878 1 16 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.619 -0.274 11451 11879 1 16 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.603 -0.877 11451 11880 1 16 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.942 -0.768 11451 11881 1 16 . 1 1 90 90 ALA H H 90 7.962 7.962 8.199 -0.237 11451 11882 1 16 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.957 -0.489 11451 11883 1 16 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.139 1.298 11451 11884 1 16 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.502 -1.533 11451 11885 1 16 . 1 1 92 92 HIS N N 92 118.470 118.470 114.315 4.155 11451 11886 1 16 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.956 -0.132 11451 11887 1 16 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.075 -0.874 11451 11888 1 16 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.091 -0.782 11451 11889 1 16 . 1 1 92 92 HIS H H 92 7.977 7.977 7.960 0.017 11451 11890 1 16 . 1 1 93 93 SER N N 93 108.425 108.425 114.870 -6.445 11451 11891 1 16 . 1 1 93 93 SER HA H 93 4.380 4.380 4.652 -0.272 11451 11892 1 16 . 1 1 93 93 SER CA C 93 57.696 57.696 57.861 -0.166 11451 11893 1 16 . 1 1 93 93 SER CB C 93 65.924 65.924 63.621 2.303 11451 11894 1 16 . 1 1 93 93 SER H H 93 6.374 6.374 7.734 -1.360 11451 11895 1 16 . 1 1 94 94 ALA N N 94 130.109 130.109 126.861 3.248 11451 11896 1 16 . 1 1 94 94 ALA HA H 94 4.276 4.276 4.896 -0.620 11451 11897 1 16 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.480 2.693 11451 11898 1 16 . 1 1 94 94 ALA CB C 94 20.366 20.366 17.704 2.662 11451 11899 1 16 . 1 1 94 94 ALA H H 94 8.543 8.543 7.521 1.022 11451 11900 1 16 . 1 1 95 95 THR N N 95 110.794 110.794 113.626 -2.832 11451 11901 1 16 . 1 1 95 95 THR HA H 95 4.722 4.722 4.369 0.353 11451 11902 1 16 . 1 1 95 95 THR CA C 95 59.725 59.725 64.759 -5.034 11451 11903 1 16 . 1 1 95 95 THR CB C 95 70.157 70.157 69.428 0.729 11451 11904 1 16 . 1 1 95 95 THR H H 95 8.925 8.925 7.944 0.981 11451 11905 1 16 . 1 1 96 96 ALA N N 96 121.615 121.615 121.814 -0.199 11451 11906 1 16 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.884 -0.457 11451 11907 1 16 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.644 -0.108 11451 11908 1 16 . 1 1 96 96 ALA CB C 96 23.216 23.216 20.205 3.011 11451 11909 1 16 . 1 1 96 96 ALA H H 96 7.954 7.954 8.357 -0.403 11451 11910 1 16 . 1 1 97 97 GLN N N 97 115.548 115.548 119.696 -4.148 11451 11911 1 16 . 1 1 97 97 GLN HA H 97 4.629 4.629 5.082 -0.454 11451 11912 1 16 . 1 1 97 97 GLN CA C 97 57.388 57.388 55.173 2.215 11451 11913 1 16 . 1 1 97 97 GLN CB C 97 30.757 30.757 31.039 -0.282 11451 11914 1 16 . 1 1 97 97 GLN H H 97 7.866 7.866 8.143 -0.277 11451 11915 1 16 . 1 1 98 98 PHE N N 98 117.593 117.593 118.818 -1.225 11451 11916 1 16 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.546 0.242 11451 11917 1 16 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.643 -0.988 11451 11918 1 16 . 1 1 98 98 PHE CB C 98 43.225 43.225 42.996 0.229 11451 11919 1 16 . 1 1 98 98 PHE H H 98 7.623 7.623 8.442 -0.819 11451 11920 1 16 . 1 1 99 99 PHE N N 99 116.226 116.226 114.712 1.514 11451 11921 1 16 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.274 0.458 11451 11922 1 16 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.537 -0.488 11451 11923 1 16 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.190 1.830 11451 11924 1 16 . 1 1 99 99 PHE H H 99 9.518 9.518 8.809 0.709 11451 11925 1 16 . 1 1 100 100 ILE N N 100 117.687 117.687 120.543 -2.856 11451 11926 1 16 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.888 -0.061 11451 11927 1 16 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.054 -0.705 11451 11928 1 16 . 1 1 100 100 ILE CB C 100 39.669 39.669 40.013 -0.344 11451 11929 1 16 . 1 1 100 100 ILE H H 100 9.136 9.136 9.187 -0.051 11451 11930 1 16 . 1 1 101 101 ASN N N 101 126.524 126.524 127.497 -0.973 11451 11931 1 16 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.825 -0.366 11451 11932 1 16 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.417 2.316 11451 11933 1 16 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.941 0.985 11451 11934 1 16 . 1 1 101 101 ASN H H 101 8.877 8.877 9.222 -0.345 11451 11935 1 16 . 1 1 102 102 VAL N N 102 117.660 117.660 116.749 0.911 11451 11936 1 16 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.184 0.227 11451 11937 1 16 . 1 1 102 102 VAL CA C 102 61.907 61.907 62.106 -0.199 11451 11938 1 16 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.705 -2.335 11451 11939 1 16 . 1 1 102 102 VAL H H 102 7.700 7.700 8.199 -0.499 11451 11940 1 16 . 1 1 103 103 VAL N N 103 116.637 116.637 112.947 3.690 11451 11941 1 16 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.409 -0.056 11451 11942 1 16 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.782 0.877 11451 11943 1 16 . 1 1 103 103 VAL CB C 103 35.510 35.510 35.127 0.383 11451 11944 1 16 . 1 1 103 103 VAL H H 103 7.753 7.753 7.012 0.741 11451 11945 1 16 . 1 1 104 104 ASP N N 104 118.510 118.510 122.159 -3.649 11451 11946 1 16 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.685 -0.430 11451 11947 1 16 . 1 1 104 104 ASP CA C 104 55.500 55.500 54.684 0.816 11451 11948 1 16 . 1 1 104 104 ASP CB C 104 39.088 39.088 40.944 -1.856 11451 11949 1 16 . 1 1 104 104 ASP H H 104 8.171 8.171 8.463 -0.292 11451 11950 1 16 . 1 1 105 105 ASN N N 105 128.132 128.132 123.674 4.458 11451 11951 1 16 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.836 0.243 11451 11952 1 16 . 1 1 105 105 ASN CA C 105 51.529 51.529 51.782 -0.253 11451 11953 1 16 . 1 1 105 105 ASN CB C 105 39.135 39.135 38.810 0.325 11451 11954 1 16 . 1 1 105 105 ASN H H 105 8.352 8.352 8.083 0.269 11451 11955 1 16 . 1 1 106 106 ASP N N 106 121.636 121.636 122.443 -0.807 11451 11956 1 16 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.266 0.005 11451 11957 1 16 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.513 -0.726 11451 11958 1 16 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.974 -1.169 11451 11959 1 16 . 1 1 106 106 ASP H H 106 8.203 8.203 8.754 -0.551 11451 11960 1 16 . 1 1 107 107 PHE N N 107 114.525 114.525 114.333 0.192 11451 11961 1 16 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.362 0.136 11451 11962 1 16 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.037 -1.642 11451 11963 1 16 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.002 -1.222 11451 11964 1 16 . 1 1 107 107 PHE H H 107 7.388 7.388 7.717 -0.329 11451 11965 1 16 . 1 1 108 108 LEU N N 108 121.576 121.576 117.496 4.080 11451 11966 1 16 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.477 -0.011 11451 11967 1 16 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.326 -0.848 11451 11968 1 16 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.548 0.551 11451 11969 1 16 . 1 1 108 108 LEU H H 108 7.163 7.163 7.262 -0.099 11451 11970 1 16 . 1 1 109 109 ASN N N 109 116.121 116.121 117.829 -1.708 11451 11971 1 16 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.900 0.249 11451 11972 1 16 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.007 -0.036 11451 11973 1 16 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.058 -0.939 11451 11974 1 16 . 1 1 109 109 ASN H H 109 7.312 7.312 7.747 -0.435 11451 11975 1 16 . 1 1 110 110 PHE N N 110 124.182 124.182 120.669 3.513 11451 11976 1 16 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.684 -0.432 11451 11977 1 16 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.543 -0.488 11451 11978 1 16 . 1 1 110 110 PHE CB C 110 39.793 39.793 39.984 -0.192 11451 11979 1 16 . 1 1 110 110 PHE H H 110 8.825 8.825 8.118 0.707 11451 11980 1 16 . 1 1 111 111 SER N N 111 122.136 122.136 120.006 2.130 11451 11981 1 16 . 1 1 111 111 SER HA H 111 4.179 4.179 4.310 -0.131 11451 11982 1 16 . 1 1 111 111 SER CA C 111 57.521 57.521 57.907 -0.386 11451 11983 1 16 . 1 1 111 111 SER CB C 111 64.617 64.617 64.431 0.186 11451 11984 1 16 . 1 1 111 111 SER H H 111 9.456 9.456 7.802 1.654 11451 11985 1 16 . 1 1 112 112 GLY N N 112 110.435 110.435 107.656 2.779 11451 11986 1 16 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.587 0.791 11451 11987 1 16 . 1 1 112 112 GLY H H 112 5.514 5.514 6.807 -1.293 11451 11988 1 16 . 1 1 113 113 GLU N N 113 118.926 118.926 116.823 2.103 11451 11989 1 16 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.680 -1.033 11451 11990 1 16 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.506 -2.536 11451 11991 1 16 . 1 1 113 113 GLU CB C 113 26.663 26.663 28.778 -2.115 11451 11992 1 16 . 1 1 113 113 GLU H H 113 7.862 7.862 7.931 -0.069 11451 11993 1 16 . 1 1 114 114 SER N N 114 119.323 119.323 113.180 6.143 11451 11994 1 16 . 1 1 114 114 SER HA H 114 4.625 4.625 4.888 -0.263 11451 11995 1 16 . 1 1 114 114 SER CA C 114 56.279 56.279 56.582 -0.303 11451 11996 1 16 . 1 1 114 114 SER H H 114 7.621 7.621 7.511 0.110 11451 11997 1 16 . 1 1 115 115 LEU N N 115 122.373 122.373 127.630 -5.257 11451 11998 1 16 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.079 0.038 11451 11999 1 16 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.386 1.574 11451 12000 1 16 . 1 1 115 115 LEU CB C 115 41.125 41.125 42.086 -0.961 11451 12001 1 16 . 1 1 115 115 LEU H H 115 8.745 8.745 9.071 -0.326 11451 12002 1 16 . 1 1 116 116 GLN N N 116 114.490 114.490 115.157 -0.667 11451 12003 1 16 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.369 -0.107 11451 12004 1 16 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.494 0.633 11451 12005 1 16 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.814 -0.617 11451 12006 1 16 . 1 1 116 116 GLN H H 116 8.292 8.292 8.441 -0.149 11451 12007 1 16 . 1 1 117 117 GLY N N 117 109.729 109.729 107.793 1.936 11451 12008 1 16 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.769 0.772 11451 12009 1 16 . 1 1 117 117 GLY H H 117 7.832 7.832 7.957 -0.125 11451 12010 1 16 . 1 1 118 118 TRP N N 118 123.807 123.807 123.631 0.176 11451 12011 1 16 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.774 -0.461 11451 12012 1 16 . 1 1 118 118 TRP CA C 118 62.294 62.294 55.041 7.253 11451 12013 1 16 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.241 1.926 11451 12014 1 16 . 1 1 118 118 TRP H H 118 7.801 7.801 7.945 -0.144 11451 12015 1 16 . 1 1 119 119 GLY N N 119 124.815 124.815 110.423 14.392 11451 12016 1 16 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.112 0.207 11451 12017 1 16 . 1 1 119 119 GLY H H 119 7.438 7.438 7.969 -0.531 11451 12018 1 16 . 1 1 120 120 TYR N N 120 119.720 119.720 116.886 2.834 11451 12019 1 16 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.014 0.188 11451 12020 1 16 . 1 1 120 120 TYR CA C 120 57.319 57.319 56.701 0.618 11451 12021 1 16 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.297 -2.558 11451 12022 1 16 . 1 1 120 120 TYR H H 120 8.281 8.281 7.634 0.647 11451 12023 1 16 . 1 1 121 121 CYS N N 121 126.117 126.117 122.574 3.543 11451 12024 1 16 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.830 -0.591 11451 12025 1 16 . 1 1 121 121 CYS CA C 121 59.697 59.697 57.771 1.926 11451 12026 1 16 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.397 -0.387 11451 12027 1 16 . 1 1 121 121 CYS H H 121 9.818 9.818 9.130 0.688 11451 12028 1 16 . 1 1 122 122 VAL N N 122 106.168 106.168 130.692 -24.524 11451 12029 1 16 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.248 0.315 11451 12030 1 16 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.766 -0.116 11451 12031 1 16 . 1 1 122 122 VAL CB C 122 31.479 31.479 29.704 1.775 11451 12032 1 16 . 1 1 122 122 VAL H H 122 9.382 9.382 8.948 0.434 11451 12033 1 16 . 1 1 123 123 PHE N N 123 118.398 118.398 122.496 -4.098 11451 12034 1 16 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.590 0.271 11451 12035 1 16 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.876 -2.937 11451 12036 1 16 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.518 2.122 11451 12037 1 16 . 1 1 123 123 PHE H H 123 7.842 7.842 8.050 -0.208 11451 12038 1 16 . 1 1 124 124 ALA N N 124 124.412 124.412 118.463 5.949 11451 12039 1 16 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.676 -0.026 11451 12040 1 16 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.578 0.181 11451 12041 1 16 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.657 1.978 11451 12042 1 16 . 1 1 124 124 ALA H H 124 7.327 7.327 6.941 0.386 11451 12043 1 16 . 1 1 125 125 GLU N N 125 115.272 115.272 117.720 -2.448 11451 12044 1 16 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.670 0.101 11451 12045 1 16 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.285 0.366 11451 12046 1 16 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.557 -0.787 11451 12047 1 16 . 1 1 125 125 GLU H H 125 8.223 8.223 8.218 0.005 11451 12048 1 16 . 1 1 126 126 VAL N N 126 123.948 123.948 121.234 2.714 11451 12049 1 16 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.950 -0.041 11451 12050 1 16 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.776 -0.511 11451 12051 1 16 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.524 -0.714 11451 12052 1 16 . 1 1 126 126 VAL H H 126 8.786 8.786 8.238 0.548 11451 12053 1 16 . 1 1 127 127 VAL N N 127 123.644 123.644 126.830 -3.186 11451 12054 1 16 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.228 0.122 11451 12055 1 16 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.758 -2.264 11451 12056 1 16 . 1 1 127 127 VAL CB C 127 32.482 32.482 33.478 -0.997 11451 12057 1 16 . 1 1 127 127 VAL H H 127 9.096 9.096 8.911 0.185 11451 12058 1 16 . 1 1 128 128 ASP N N 128 121.165 121.165 118.961 2.204 11451 12059 1 16 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.800 0.122 11451 12060 1 16 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.687 0.714 11451 12061 1 16 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.422 -1.373 11451 12062 1 16 . 1 1 128 128 ASP H H 128 7.719 7.719 7.719 -0.000 11451 12063 1 16 . 1 1 129 129 GLY N N 129 110.821 110.821 108.135 2.686 11451 12064 1 16 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.563 0.198 11451 12065 1 16 . 1 1 129 129 GLY H H 129 8.276 8.276 8.926 -0.650 11451 12066 1 16 . 1 1 130 130 MET N N 130 122.991 122.991 120.083 2.908 11451 12067 1 16 . 1 1 130 130 MET HA H 130 4.468 4.468 4.153 0.315 11451 12068 1 16 . 1 1 130 130 MET CA C 130 55.953 55.953 57.940 -1.987 11451 12069 1 16 . 1 1 130 130 MET CB C 130 28.771 28.771 31.450 -2.679 11451 12070 1 16 . 1 1 130 130 MET H H 130 8.945 8.945 8.442 0.503 11451 12071 1 16 . 1 1 131 131 ASP N N 131 117.183 117.183 118.513 -1.330 11451 12072 1 16 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.438 -0.193 11451 12073 1 16 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.500 -0.861 11451 12074 1 16 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.319 -1.641 11451 12075 1 16 . 1 1 131 131 ASP H H 131 8.924 8.924 8.682 0.242 11451 12076 1 16 . 1 1 132 132 VAL N N 132 124.340 124.340 120.046 4.294 11451 12077 1 16 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.781 -0.342 11451 12078 1 16 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.788 0.227 11451 12079 1 16 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.862 -1.081 11451 12080 1 16 . 1 1 132 132 VAL H H 132 7.222 7.222 7.746 -0.524 11451 12081 1 16 . 1 1 133 133 VAL N N 133 121.730 121.730 120.414 1.316 11451 12082 1 16 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.436 -0.418 11451 12083 1 16 . 1 1 133 133 VAL CA C 133 67.076 67.076 67.225 -0.150 11451 12084 1 16 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.415 -0.595 11451 12085 1 16 . 1 1 133 133 VAL H H 133 7.367 7.367 7.865 -0.498 11451 12086 1 16 . 1 1 134 134 ASP N N 134 117.555 117.555 118.115 -0.560 11451 12087 1 16 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.356 -0.106 11451 12088 1 16 . 1 1 134 134 ASP CA C 134 56.263 56.263 57.053 -0.790 11451 12089 1 16 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.113 -1.301 11451 12090 1 16 . 1 1 134 134 ASP H H 134 8.411 8.411 8.240 0.171 11451 12091 1 16 . 1 1 135 135 LYS N N 135 122.646 122.646 119.054 3.592 11451 12092 1 16 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.113 -0.112 11451 12093 1 16 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.050 0.858 11451 12094 1 16 . 1 1 135 135 LYS CB C 135 32.010 32.010 31.901 0.109 11451 12095 1 16 . 1 1 135 135 LYS H H 135 7.418 7.418 7.106 0.312 11451 12096 1 16 . 1 1 136 136 ILE N N 136 121.613 121.613 118.110 3.503 11451 12097 1 16 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.423 -0.361 11451 12098 1 16 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.645 0.662 11451 12099 1 16 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.809 -0.510 11451 12100 1 16 . 1 1 136 136 ILE H H 136 8.075 8.075 8.277 -0.202 11451 12101 1 16 . 1 1 137 137 LYS N N 137 113.499 113.499 115.779 -2.280 11451 12102 1 16 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.176 -0.432 11451 12103 1 16 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.215 0.673 11451 12104 1 16 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.440 -1.085 11451 12105 1 16 . 1 1 137 137 LYS H H 137 7.976 7.976 7.433 0.543 11451 12106 1 16 . 1 1 138 138 GLY N N 138 104.829 104.829 106.228 -1.399 11451 12107 1 16 . 1 1 138 138 GLY CA C 138 44.181 44.181 44.975 -0.794 11451 12108 1 16 . 1 1 138 138 GLY H H 138 6.858 6.858 7.543 -0.685 11451 12109 1 16 . 1 1 139 139 VAL N N 139 116.189 116.189 118.611 -2.422 11451 12110 1 16 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.854 0.229 11451 12111 1 16 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.496 -2.752 11451 12112 1 16 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.659 1.191 11451 12113 1 16 . 1 1 139 139 VAL H H 139 7.220 7.220 7.692 -0.472 11451 12114 1 16 . 1 1 140 140 ALA N N 140 123.097 123.097 120.009 3.088 11451 12115 1 16 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.551 -0.269 11451 12116 1 16 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.219 0.631 11451 12117 1 16 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.140 -1.768 11451 12118 1 16 . 1 1 140 140 ALA H H 140 8.262 8.262 7.812 0.450 11451 12119 1 16 . 1 1 141 141 THR N N 141 113.326 113.326 113.085 0.241 11451 12120 1 16 . 1 1 141 141 THR HA H 141 4.925 4.925 5.109 -0.184 11451 12121 1 16 . 1 1 141 141 THR CA C 141 59.382 59.382 59.588 -0.206 11451 12122 1 16 . 1 1 141 141 THR CB C 141 73.286 73.286 71.671 1.615 11451 12123 1 16 . 1 1 141 141 THR H H 141 8.278 8.278 8.089 0.189 11451 12124 1 16 . 1 1 142 142 GLY N N 142 107.299 107.299 111.169 -3.870 11451 12125 1 16 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.746 -0.574 11451 12126 1 16 . 1 1 142 142 GLY H H 142 8.484 8.484 8.605 -0.121 11451 12127 1 16 . 1 1 143 143 ARG N N 143 120.230 120.230 120.139 0.091 11451 12128 1 16 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.271 0.526 11451 12129 1 16 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.325 -1.125 11451 12130 1 16 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.868 0.483 11451 12131 1 16 . 1 1 143 143 ARG H H 143 8.185 8.185 8.165 0.020 11451 12132 1 16 . 1 1 144 144 SER N N 144 119.429 119.429 116.893 2.536 11451 12133 1 16 . 1 1 144 144 SER HA H 144 4.466 4.466 4.735 -0.269 11451 12134 1 16 . 1 1 144 144 SER CA C 144 56.856 56.856 56.574 0.282 11451 12135 1 16 . 1 1 144 144 SER CB C 144 63.174 63.174 64.604 -1.430 11451 12136 1 16 . 1 1 144 144 SER H H 144 8.427 8.427 8.406 0.021 11451 12137 1 16 . 1 1 145 145 GLY N N 145 117.736 117.736 110.800 6.936 11451 12138 1 16 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.857 -0.171 11451 12139 1 16 . 1 1 145 145 GLY H H 145 8.902 8.902 8.873 0.029 11451 12140 1 16 . 1 1 146 146 MET N N 146 125.723 125.723 117.786 7.937 11451 12141 1 16 . 1 1 146 146 MET HA H 146 4.315 4.315 4.429 -0.114 11451 12142 1 16 . 1 1 146 146 MET CA C 146 55.431 55.431 55.255 0.176 11451 12143 1 16 . 1 1 146 146 MET H H 146 8.827 8.827 7.930 0.897 11451 12144 1 16 . 1 1 147 147 HIS N N 147 121.581 121.581 116.943 4.638 11451 12145 1 16 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.871 -0.447 11451 12146 1 16 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.053 1.022 11451 12147 1 16 . 1 1 147 147 HIS CB C 147 31.593 31.593 31.690 -0.097 11451 12148 1 16 . 1 1 147 147 HIS H H 147 8.010 8.010 7.878 0.132 11451 12149 1 16 . 1 1 148 148 GLN N N 148 121.305 121.305 123.190 -1.885 11451 12150 1 16 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.516 -0.046 11451 12151 1 16 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.483 -1.019 11451 12152 1 16 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.716 0.975 11451 12153 1 16 . 1 1 148 148 GLN H H 148 8.681 8.681 8.682 -0.001 11451 12154 1 16 . 1 1 149 149 ASP N N 149 117.085 117.085 118.144 -1.059 11451 12155 1 16 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.220 0.259 11451 12156 1 16 . 1 1 149 149 ASP H H 149 8.635 8.635 8.724 -0.089 11451 12157 1 16 . 1 1 150 150 VAL N N 150 120.313 120.313 112.494 7.819 11451 12158 1 16 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.680 -0.301 11451 12159 1 16 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.210 0.958 11451 12160 1 16 . 1 1 150 150 VAL CB C 150 33.080 33.080 35.444 -2.364 11451 12161 1 16 . 1 1 150 150 VAL H H 150 8.470 8.470 7.665 0.805 11451 12162 1 16 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.740 -0.326 11451 12163 1 16 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.670 1.266 11451 12164 1 16 . 1 1 151 151 PRO CB C 151 32.176 32.176 31.987 0.189 11451 12165 1 16 . 1 1 152 152 LYS N N 152 125.675 125.675 122.372 3.303 11451 12166 1 16 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.282 -0.411 11451 12167 1 16 . 1 1 152 152 LYS CA C 152 58.601 58.601 56.750 1.851 11451 12168 1 16 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.863 -1.078 11451 12169 1 16 . 1 1 152 152 LYS H H 152 8.169 8.169 8.357 -0.188 11451 12170 1 16 . 1 1 153 153 GLU N N 153 119.081 119.081 121.575 -2.494 11451 12171 1 16 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.323 0.072 11451 12172 1 16 . 1 1 153 153 GLU CA C 153 54.216 54.216 56.229 -2.013 11451 12173 1 16 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.752 -0.014 11451 12174 1 16 . 1 1 153 153 GLU H H 153 7.960 7.960 7.838 0.122 11451 12175 1 16 . 1 1 154 154 ASP N N 154 121.884 121.884 123.326 -1.442 11451 12176 1 16 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.610 -0.378 11451 12177 1 16 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.852 2.248 11451 12178 1 16 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.969 -0.429 11451 12179 1 16 . 1 1 154 154 ASP H H 154 8.149 8.149 8.653 -0.504 11451 12180 1 16 . 1 1 155 155 VAL N N 155 129.777 129.777 125.573 4.204 11451 12181 1 16 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.851 -0.411 11451 12182 1 16 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.314 0.997 11451 12183 1 16 . 1 1 155 155 VAL CB C 155 31.469 31.469 31.937 -0.468 11451 12184 1 16 . 1 1 155 155 VAL H H 155 10.043 10.043 8.663 1.380 11451 12185 1 16 . 1 1 156 156 ILE N N 156 125.807 125.807 124.164 1.643 11451 12186 1 16 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.240 -0.828 11451 12187 1 16 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.798 1.887 11451 12188 1 16 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.784 0.130 11451 12189 1 16 . 1 1 156 156 ILE H H 156 8.252 8.252 9.583 -1.331 11451 12190 1 16 . 1 1 157 157 ILE N N 157 126.581 126.581 126.216 0.365 11451 12191 1 16 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.343 -0.664 11451 12192 1 16 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.913 0.592 11451 12193 1 16 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.643 -0.271 11451 12194 1 16 . 1 1 157 157 ILE H H 157 9.168 9.168 9.088 0.080 11451 12195 1 16 . 1 1 158 158 GLU N N 158 130.185 130.185 128.091 2.094 11451 12196 1 16 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.271 -0.231 11451 12197 1 16 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.531 0.375 11451 12198 1 16 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.789 -0.791 11451 12199 1 16 . 1 1 158 158 GLU H H 158 8.910 8.910 8.828 0.082 11451 12200 1 16 . 1 1 159 159 SER N N 159 108.037 108.037 111.498 -3.461 11451 12201 1 16 . 1 1 159 159 SER HA H 159 4.399 4.399 4.655 -0.256 11451 12202 1 16 . 1 1 159 159 SER CA C 159 57.505 57.505 57.758 -0.253 11451 12203 1 16 . 1 1 159 159 SER CB C 159 64.403 64.403 64.595 -0.192 11451 12204 1 16 . 1 1 159 159 SER H H 159 7.772 7.772 8.018 -0.246 11451 12205 1 16 . 1 1 160 160 VAL N N 160 119.790 119.790 120.946 -1.156 11451 12206 1 16 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.424 -0.249 11451 12207 1 16 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.031 -0.466 11451 12208 1 16 . 1 1 160 160 VAL CB C 160 35.015 35.015 36.023 -1.008 11451 12209 1 16 . 1 1 160 160 VAL H H 160 7.681 7.681 8.561 -0.880 11451 12210 1 16 . 1 1 161 161 THR N N 161 122.628 122.628 122.023 0.605 11451 12211 1 16 . 1 1 161 161 THR HA H 161 4.662 4.662 4.764 -0.102 11451 12212 1 16 . 1 1 161 161 THR CA C 161 61.452 61.452 61.169 0.283 11451 12213 1 16 . 1 1 161 161 THR CB C 161 70.781 70.781 71.913 -1.132 11451 12214 1 16 . 1 1 161 161 THR H H 161 8.817 8.817 9.343 -0.526 11451 12215 1 16 . 1 1 162 162 VAL N N 162 129.304 129.304 127.403 1.901 11451 12216 1 16 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.349 0.138 11451 12217 1 16 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.438 -0.681 11451 12218 1 16 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.226 0.256 11451 12219 1 16 . 1 1 162 162 VAL H H 162 9.075 9.075 8.598 0.477 11451 12220 1 16 . 1 1 163 163 SER N N 163 123.979 123.979 123.838 0.141 11451 12221 1 16 . 1 1 163 163 SER HA H 163 4.601 4.601 4.738 -0.137 11451 12222 1 16 . 1 1 163 163 SER CA C 163 57.521 57.521 56.669 0.852 11451 12223 1 16 . 1 1 163 163 SER CB C 163 64.409 64.409 64.738 -0.329 11451 12224 1 16 . 1 1 163 163 SER H H 163 8.727 8.727 8.783 -0.056 11451 12225 1 17 . 1 1 2 2 VAL N N 2 123.776 123.776 124.746 -0.970 11451 12226 1 17 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.788 -0.013 11451 12227 1 17 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.887 0.137 11451 12228 1 17 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.563 0.568 11451 12229 1 17 . 1 1 2 2 VAL H H 2 8.961 8.961 8.977 -0.016 11451 12230 1 17 . 1 1 3 3 THR N N 3 121.749 121.749 124.173 -2.424 11451 12231 1 17 . 1 1 3 3 THR HA H 3 5.053 5.053 4.879 0.174 11451 12232 1 17 . 1 1 3 3 THR CA C 3 61.176 61.176 61.867 -0.691 11451 12233 1 17 . 1 1 3 3 THR CB C 3 70.356 70.356 69.793 0.563 11451 12234 1 17 . 1 1 3 3 THR H H 3 8.912 8.912 9.089 -0.177 11451 12235 1 17 . 1 1 4 4 PHE N N 4 125.726 125.726 126.525 -0.799 11451 12236 1 17 . 1 1 4 4 PHE HA H 4 4.795 4.795 5.068 -0.273 11451 12237 1 17 . 1 1 4 4 PHE CA C 4 54.011 54.011 54.741 -0.730 11451 12238 1 17 . 1 1 4 4 PHE CB C 4 38.721 38.721 40.193 -1.472 11451 12239 1 17 . 1 1 4 4 PHE H H 4 9.442 9.442 9.165 0.277 11451 12240 1 17 . 1 1 5 5 HIS N N 5 125.337 125.337 124.471 0.866 11451 12241 1 17 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.050 0.299 11451 12242 1 17 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.070 -0.762 11451 12243 1 17 . 1 1 5 5 HIS CB C 5 26.517 26.517 29.845 -3.328 11451 12244 1 17 . 1 1 5 5 HIS H H 5 8.897 8.897 9.499 -0.602 11451 12245 1 17 . 1 1 6 6 THR N N 6 115.752 115.752 116.868 -1.116 11451 12246 1 17 . 1 1 6 6 THR HA H 6 6.126 6.126 5.067 1.059 11451 12247 1 17 . 1 1 6 6 THR CA C 6 60.220 60.220 59.237 0.983 11451 12248 1 17 . 1 1 6 6 THR CB C 6 72.515 72.515 71.434 1.081 11451 12249 1 17 . 1 1 6 6 THR H H 6 7.881 7.881 8.233 -0.352 11451 12250 1 17 . 1 1 7 7 ASN N N 7 119.451 119.451 124.134 -4.683 11451 12251 1 17 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.555 0.020 11451 12252 1 17 . 1 1 7 7 ASN CA C 7 54.493 54.493 55.033 -0.540 11451 12253 1 17 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.046 -2.712 11451 12254 1 17 . 1 1 7 7 ASN H H 7 9.334 9.334 9.022 0.312 11451 12255 1 17 . 1 1 8 8 HIS N N 8 118.490 118.490 116.822 1.668 11451 12256 1 17 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.780 -0.289 11451 12257 1 17 . 1 1 8 8 HIS CA C 8 56.790 56.790 56.893 -0.103 11451 12258 1 17 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.402 1.232 11451 12259 1 17 . 1 1 8 8 HIS H H 8 8.663 8.663 7.596 1.067 11451 12260 1 17 . 1 1 9 9 GLY N N 9 108.550 108.550 106.505 2.045 11451 12261 1 17 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.542 -0.942 11451 12262 1 17 . 1 1 9 9 GLY H H 9 7.320 7.320 7.613 -0.293 11451 12263 1 17 . 1 1 10 10 ASP N N 10 123.900 123.900 121.518 2.382 11451 12264 1 17 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.242 0.378 11451 12265 1 17 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.701 -0.391 11451 12266 1 17 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.895 -0.395 11451 12267 1 17 . 1 1 10 10 ASP H H 10 8.857 8.857 8.498 0.359 11451 12268 1 17 . 1 1 11 11 ILE N N 11 121.150 121.150 123.289 -2.139 11451 12269 1 17 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.598 -0.262 11451 12270 1 17 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.137 1.139 11451 12271 1 17 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.212 -0.553 11451 12272 1 17 . 1 1 11 11 ILE H H 11 8.638 8.638 8.834 -0.196 11451 12273 1 17 . 1 1 12 12 VAL N N 12 129.487 129.487 124.886 4.601 11451 12274 1 17 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.734 -0.203 11451 12275 1 17 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.589 1.721 11451 12276 1 17 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.515 -2.273 11451 12277 1 17 . 1 1 12 12 VAL H H 12 8.771 8.771 8.925 -0.154 11451 12278 1 17 . 1 1 13 13 ILE N N 13 127.702 127.702 126.453 1.249 11451 12279 1 17 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.716 -0.046 11451 12280 1 17 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.751 -0.013 11451 12281 1 17 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.640 -0.081 11451 12282 1 17 . 1 1 13 13 ILE H H 13 9.527 9.527 9.071 0.456 11451 12283 1 17 . 1 1 14 14 LYS N N 14 126.574 126.574 126.785 -0.211 11451 12284 1 17 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.532 0.245 11451 12285 1 17 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.525 -0.682 11451 12286 1 17 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.014 0.486 11451 12287 1 17 . 1 1 14 14 LYS H H 14 8.684 8.684 8.744 -0.060 11451 12288 1 17 . 1 1 15 15 THR N N 15 113.811 113.811 117.650 -3.839 11451 12289 1 17 . 1 1 15 15 THR HA H 15 4.130 4.130 4.129 0.001 11451 12290 1 17 . 1 1 15 15 THR CA C 15 59.806 59.806 60.970 -1.164 11451 12291 1 17 . 1 1 15 15 THR CB C 15 69.319 69.319 69.576 -0.257 11451 12292 1 17 . 1 1 15 15 THR H H 15 8.343 8.343 8.399 -0.056 11451 12293 1 17 . 1 1 16 16 PHE N N 16 122.611 122.611 123.963 -1.352 11451 12294 1 17 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.738 0.537 11451 12295 1 17 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.644 -1.354 11451 12296 1 17 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.961 -0.591 11451 12297 1 17 . 1 1 16 16 PHE H H 16 8.315 8.315 8.825 -0.510 11451 12298 1 17 . 1 1 17 17 ASP N N 17 120.182 120.182 123.406 -3.224 11451 12299 1 17 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.519 -0.757 11451 12300 1 17 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.605 0.353 11451 12301 1 17 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.860 -1.911 11451 12302 1 17 . 1 1 17 17 ASP H H 17 9.106 9.106 8.128 0.978 11451 12303 1 17 . 1 1 18 18 ASP N N 18 111.686 111.686 117.378 -5.692 11451 12304 1 17 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.601 -0.226 11451 12305 1 17 . 1 1 18 18 ASP CA C 18 55.023 55.023 55.973 -0.950 11451 12306 1 17 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.900 -1.137 11451 12307 1 17 . 1 1 18 18 ASP H H 18 8.584 8.584 8.791 -0.207 11451 12308 1 17 . 1 1 19 19 LYS N N 19 118.003 118.003 116.677 1.326 11451 12309 1 17 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.482 -0.046 11451 12310 1 17 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.376 0.011 11451 12311 1 17 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.920 -0.053 11451 12312 1 17 . 1 1 19 19 LYS H H 19 7.333 7.333 7.633 -0.300 11451 12313 1 17 . 1 1 20 20 ALA N N 20 123.657 123.657 121.577 2.080 11451 12314 1 17 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.030 -0.412 11451 12315 1 17 . 1 1 20 20 ALA CA C 20 50.117 50.117 51.084 -0.967 11451 12316 1 17 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.831 -0.596 11451 12317 1 17 . 1 1 20 20 ALA H H 20 7.560 7.560 8.292 -0.732 11451 12318 1 17 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.270 0.154 11451 12319 1 17 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.542 0.735 11451 12320 1 17 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.769 -0.261 11451 12321 1 17 . 1 1 22 22 GLU N N 22 122.557 122.557 117.370 5.187 11451 12322 1 17 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.157 -0.145 11451 12323 1 17 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.762 -0.138 11451 12324 1 17 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.407 0.073 11451 12325 1 17 . 1 1 22 22 GLU H H 22 9.855 9.855 8.952 0.903 11451 12326 1 17 . 1 1 23 23 THR N N 23 122.201 122.201 117.394 4.807 11451 12327 1 17 . 1 1 23 23 THR HA H 23 3.584 3.584 4.122 -0.537 11451 12328 1 17 . 1 1 23 23 THR CA C 23 66.554 66.554 66.923 -0.369 11451 12329 1 17 . 1 1 23 23 THR CB C 23 67.614 67.614 68.621 -1.007 11451 12330 1 17 . 1 1 23 23 THR H H 23 9.390 9.390 7.473 1.917 11451 12331 1 17 . 1 1 24 24 VAL N N 24 125.111 125.111 122.315 2.796 11451 12332 1 17 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.708 -0.223 11451 12333 1 17 . 1 1 24 24 VAL CA C 24 68.307 68.307 67.183 1.124 11451 12334 1 17 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.677 -0.788 11451 12335 1 17 . 1 1 24 24 VAL H H 24 9.359 9.359 8.628 0.731 11451 12336 1 17 . 1 1 25 25 LYS N N 25 121.050 121.050 119.716 1.334 11451 12337 1 17 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.993 -0.125 11451 12338 1 17 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.238 1.001 11451 12339 1 17 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.921 -0.224 11451 12340 1 17 . 1 1 25 25 LYS H H 25 7.686 7.686 8.447 -0.761 11451 12341 1 17 . 1 1 26 26 ASN N N 26 116.337 116.337 117.773 -1.436 11451 12342 1 17 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.429 -0.373 11451 12343 1 17 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.319 0.240 11451 12344 1 17 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.472 2.220 11451 12345 1 17 . 1 1 26 26 ASN H H 26 7.535 7.535 7.763 -0.228 11451 12346 1 17 . 1 1 27 27 PHE N N 27 119.858 119.858 121.319 -1.461 11451 12347 1 17 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.446 0.093 11451 12348 1 17 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.442 -0.509 11451 12349 1 17 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.065 0.766 11451 12350 1 17 . 1 1 27 27 PHE H H 27 7.867 7.867 8.449 -0.582 11451 12351 1 17 . 1 1 28 28 LEU N N 28 120.761 120.761 119.682 1.079 11451 12352 1 17 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.757 -0.014 11451 12353 1 17 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.064 -0.196 11451 12354 1 17 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.356 -0.102 11451 12355 1 17 . 1 1 28 28 LEU H H 28 9.377 9.377 8.713 0.664 11451 12356 1 17 . 1 1 29 29 ASP N N 29 121.607 121.607 119.067 2.540 11451 12357 1 17 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.332 -0.037 11451 12358 1 17 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.432 0.397 11451 12359 1 17 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.342 -1.316 11451 12360 1 17 . 1 1 29 29 ASP H H 29 8.374 8.374 8.439 -0.065 11451 12361 1 17 . 1 1 30 30 TYR N N 30 118.959 118.959 119.769 -0.810 11451 12362 1 17 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.340 -0.335 11451 12363 1 17 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.752 -0.005 11451 12364 1 17 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.376 -0.637 11451 12365 1 17 . 1 1 30 30 TYR H H 30 7.287 7.287 7.687 -0.400 11451 12366 1 17 . 1 1 31 31 CYS N N 31 116.202 116.202 118.583 -2.381 11451 12367 1 17 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.169 -0.135 11451 12368 1 17 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.952 0.451 11451 12369 1 17 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.399 -0.178 11451 12370 1 17 . 1 1 31 31 CYS H H 31 8.336 8.336 8.200 0.136 11451 12371 1 17 . 1 1 32 32 ARG N N 32 121.949 121.949 120.845 1.104 11451 12372 1 17 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.053 -0.191 11451 12373 1 17 . 1 1 32 32 ARG CA C 32 59.719 59.719 59.109 0.610 11451 12374 1 17 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.336 0.038 11451 12375 1 17 . 1 1 32 32 ARG H H 32 9.077 9.077 8.282 0.795 11451 12376 1 17 . 1 1 33 33 GLU N N 33 116.667 116.667 116.089 0.578 11451 12377 1 17 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.316 -0.129 11451 12378 1 17 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.524 -0.076 11451 12379 1 17 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.661 -0.403 11451 12380 1 17 . 1 1 33 33 GLU H H 33 7.920 7.920 7.931 -0.011 11451 12381 1 17 . 1 1 34 34 GLY N N 34 107.273 107.273 106.755 0.518 11451 12382 1 17 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.215 0.183 11451 12383 1 17 . 1 1 34 34 GLY H H 34 7.533 7.533 7.736 -0.203 11451 12384 1 17 . 1 1 35 35 PHE N N 35 122.134 122.134 121.335 0.799 11451 12385 1 17 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.292 -0.627 11451 12386 1 17 . 1 1 35 35 PHE CA C 35 61.605 61.605 59.386 2.219 11451 12387 1 17 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.727 0.343 11451 12388 1 17 . 1 1 35 35 PHE H H 35 8.129 8.129 8.641 -0.512 11451 12389 1 17 . 1 1 36 36 TYR N N 36 111.250 111.250 114.737 -3.487 11451 12390 1 17 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.383 -0.059 11451 12391 1 17 . 1 1 36 36 TYR CA C 36 57.678 57.678 57.904 -0.226 11451 12392 1 17 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.876 -1.415 11451 12393 1 17 . 1 1 36 36 TYR H H 36 7.355 7.355 8.340 -0.985 11451 12394 1 17 . 1 1 37 37 ASN N N 37 121.890 121.890 119.704 2.186 11451 12395 1 17 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.563 -0.738 11451 12396 1 17 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.266 -0.087 11451 12397 1 17 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.667 -2.812 11451 12398 1 17 . 1 1 37 37 ASN H H 37 7.106 7.106 7.468 -0.362 11451 12399 1 17 . 1 1 38 38 ASN N N 38 121.572 121.572 122.399 -0.827 11451 12400 1 17 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.459 -0.411 11451 12401 1 17 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.697 0.023 11451 12402 1 17 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.744 0.794 11451 12403 1 17 . 1 1 38 38 ASN H H 38 9.235 9.235 8.629 0.606 11451 12404 1 17 . 1 1 39 39 THR N N 39 104.540 104.540 107.383 -2.843 11451 12405 1 17 . 1 1 39 39 THR HA H 39 5.006 5.006 5.235 -0.229 11451 12406 1 17 . 1 1 39 39 THR CA C 39 59.979 59.979 60.105 -0.126 11451 12407 1 17 . 1 1 39 39 THR CB C 39 72.789 72.789 71.319 1.470 11451 12408 1 17 . 1 1 39 39 THR H H 39 7.328 7.328 7.414 -0.086 11451 12409 1 17 . 1 1 40 40 ILE N N 40 108.904 108.904 114.262 -5.358 11451 12410 1 17 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.071 0.598 11451 12411 1 17 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.397 0.403 11451 12412 1 17 . 1 1 40 40 ILE CB C 40 39.724 39.724 41.953 -2.229 11451 12413 1 17 . 1 1 40 40 ILE H H 40 7.943 7.943 8.423 -0.480 11451 12414 1 17 . 1 1 41 41 PHE N N 41 122.068 122.068 122.696 -0.628 11451 12415 1 17 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.647 0.313 11451 12416 1 17 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.628 1.189 11451 12417 1 17 . 1 1 41 41 PHE CB C 41 37.410 37.410 37.746 -0.336 11451 12418 1 17 . 1 1 41 41 PHE H H 41 8.289 8.289 8.457 -0.168 11451 12419 1 17 . 1 1 42 42 HIS N N 42 121.477 121.477 119.261 2.216 11451 12420 1 17 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.402 -0.126 11451 12421 1 17 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.678 -0.080 11451 12422 1 17 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.506 1.157 11451 12423 1 17 . 1 1 42 42 HIS H H 42 7.862 7.862 7.815 0.047 11451 12424 1 17 . 1 1 43 43 ARG N N 43 123.403 123.403 117.603 5.800 11451 12425 1 17 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.606 0.010 11451 12426 1 17 . 1 1 43 43 ARG CA C 43 55.318 55.318 55.190 0.128 11451 12427 1 17 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.622 -1.347 11451 12428 1 17 . 1 1 43 43 ARG H H 43 6.933 6.933 7.083 -0.150 11451 12429 1 17 . 1 1 44 44 VAL N N 44 129.359 129.359 124.178 5.181 11451 12430 1 17 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.526 -0.386 11451 12431 1 17 . 1 1 44 44 VAL CA C 44 62.374 62.374 60.108 2.266 11451 12432 1 17 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.023 0.168 11451 12433 1 17 . 1 1 44 44 VAL H H 44 9.023 9.023 8.431 0.592 11451 12434 1 17 . 1 1 45 45 ILE N N 45 126.532 126.532 124.275 2.257 11451 12435 1 17 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.488 -0.252 11451 12436 1 17 . 1 1 45 45 ILE CA C 45 60.464 60.464 60.110 0.354 11451 12437 1 17 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.854 -1.904 11451 12438 1 17 . 1 1 45 45 ILE H H 45 8.243 8.243 8.082 0.161 11451 12439 1 17 . 1 1 46 46 ASN N N 46 128.015 128.015 126.775 1.240 11451 12440 1 17 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.586 -0.425 11451 12441 1 17 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.029 0.312 11451 12442 1 17 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.609 -1.935 11451 12443 1 17 . 1 1 46 46 ASN H H 46 9.127 9.127 8.537 0.590 11451 12444 1 17 . 1 1 47 47 GLY N N 47 110.314 110.314 107.245 3.069 11451 12445 1 17 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.562 0.068 11451 12446 1 17 . 1 1 47 47 GLY H H 47 7.542 7.542 8.867 -1.325 11451 12447 1 17 . 1 1 48 48 PHE N N 48 116.701 116.701 118.155 -1.454 11451 12448 1 17 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.861 0.281 11451 12449 1 17 . 1 1 48 48 PHE CA C 48 57.500 57.500 55.983 1.517 11451 12450 1 17 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.333 -3.005 11451 12451 1 17 . 1 1 48 48 PHE H H 48 7.800 7.800 7.549 0.251 11451 12452 1 17 . 1 1 49 49 MET N N 49 117.710 117.710 117.651 0.059 11451 12453 1 17 . 1 1 49 49 MET HA H 49 5.027 5.027 4.507 0.520 11451 12454 1 17 . 1 1 49 49 MET CA C 49 55.009 55.009 53.501 1.508 11451 12455 1 17 . 1 1 49 49 MET CB C 49 35.120 35.120 33.014 2.106 11451 12456 1 17 . 1 1 49 49 MET H H 49 8.363 8.363 6.966 1.397 11451 12457 1 17 . 1 1 50 50 ILE N N 50 110.774 110.774 112.740 -1.966 11451 12458 1 17 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.855 0.012 11451 12459 1 17 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.258 0.477 11451 12460 1 17 . 1 1 50 50 ILE CB C 50 40.261 40.261 41.200 -0.939 11451 12461 1 17 . 1 1 50 50 ILE H H 50 7.749 7.749 7.681 0.068 11451 12462 1 17 . 1 1 51 51 GLN N N 51 127.997 127.997 124.103 3.894 11451 12463 1 17 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.856 0.345 11451 12464 1 17 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.880 0.172 11451 12465 1 17 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.732 -1.048 11451 12466 1 17 . 1 1 51 51 GLN H H 51 9.198 9.198 8.464 0.734 11451 12467 1 17 . 1 1 52 52 GLY N N 52 111.413 111.413 107.653 3.760 11451 12468 1 17 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.254 1.039 11451 12469 1 17 . 1 1 52 52 GLY H H 52 8.037 8.037 8.197 -0.160 11451 12470 1 17 . 1 1 53 53 GLY N N 53 106.177 106.177 106.234 -0.057 11451 12471 1 17 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.070 0.007 11451 12472 1 17 . 1 1 53 53 GLY H H 53 8.334 8.334 8.121 0.213 11451 12473 1 17 . 1 1 54 54 GLY N N 54 129.939 129.939 106.340 23.599 11451 12474 1 17 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.659 -0.247 11451 12475 1 17 . 1 1 54 54 GLY H H 54 9.068 9.068 7.827 1.241 11451 12476 1 17 . 1 1 55 55 PHE N N 55 121.195 121.195 116.434 4.761 11451 12477 1 17 . 1 1 55 55 PHE HA H 55 4.887 4.887 4.839 0.048 11451 12478 1 17 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.136 0.562 11451 12479 1 17 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.566 -0.720 11451 12480 1 17 . 1 1 55 55 PHE H H 55 9.329 9.329 7.332 1.997 11451 12481 1 17 . 1 1 56 56 GLU N N 56 120.126 120.126 119.800 0.326 11451 12482 1 17 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.065 -0.217 11451 12483 1 17 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.507 0.693 11451 12484 1 17 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.183 -0.731 11451 12485 1 17 . 1 1 56 56 GLU H H 56 8.531 8.531 8.126 0.405 11451 12486 1 17 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.350 -0.360 11451 12487 1 17 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.568 0.295 11451 12488 1 17 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.595 -0.727 11451 12489 1 17 . 1 1 58 58 GLY N N 58 113.477 113.477 104.649 8.828 11451 12490 1 17 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.261 0.105 11451 12491 1 17 . 1 1 58 58 GLY H H 58 9.454 9.454 7.981 1.473 11451 12492 1 17 . 1 1 59 59 MET N N 59 114.007 114.007 116.299 -2.292 11451 12493 1 17 . 1 1 59 59 MET HA H 59 3.946 3.946 3.877 0.069 11451 12494 1 17 . 1 1 59 59 MET CA C 59 54.650 54.650 56.252 -1.602 11451 12495 1 17 . 1 1 59 59 MET CB C 59 25.875 25.875 29.275 -3.400 11451 12496 1 17 . 1 1 59 59 MET H H 59 8.027 8.027 7.868 0.159 11451 12497 1 17 . 1 1 60 60 LYS N N 60 120.420 120.420 120.456 -0.036 11451 12498 1 17 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.444 0.022 11451 12499 1 17 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.797 -0.840 11451 12500 1 17 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.900 -0.590 11451 12501 1 17 . 1 1 60 60 LYS H H 60 6.996 6.996 7.633 -0.637 11451 12502 1 17 . 1 1 61 61 GLN N N 61 130.250 130.250 126.193 4.057 11451 12503 1 17 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.262 -0.876 11451 12504 1 17 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.079 0.700 11451 12505 1 17 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.294 -0.853 11451 12506 1 17 . 1 1 61 61 GLN H H 61 8.965 8.965 8.754 0.211 11451 12507 1 17 . 1 1 62 62 LYS N N 62 126.196 126.196 126.247 -0.051 11451 12508 1 17 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.252 -0.122 11451 12509 1 17 . 1 1 62 62 LYS CA C 62 56.690 56.690 56.016 0.674 11451 12510 1 17 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.581 0.191 11451 12511 1 17 . 1 1 62 62 LYS H H 62 7.323 7.323 8.249 -0.926 11451 12512 1 17 . 1 1 63 63 ALA N N 63 127.588 127.588 124.603 2.985 11451 12513 1 17 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.538 -0.254 11451 12514 1 17 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.367 1.278 11451 12515 1 17 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.581 0.792 11451 12516 1 17 . 1 1 63 63 ALA H H 63 8.458 8.458 8.555 -0.097 11451 12517 1 17 . 1 1 64 64 THR N N 64 111.370 111.370 113.687 -2.317 11451 12518 1 17 . 1 1 64 64 THR HA H 64 4.550 4.550 4.184 0.366 11451 12519 1 17 . 1 1 64 64 THR CA C 64 60.554 60.554 62.242 -1.688 11451 12520 1 17 . 1 1 64 64 THR CB C 64 71.700 71.700 69.779 1.921 11451 12521 1 17 . 1 1 64 64 THR H H 64 8.122 8.122 7.679 0.443 11451 12522 1 17 . 1 1 65 65 LYS N N 65 118.451 118.451 124.142 -5.691 11451 12523 1 17 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.531 -0.112 11451 12524 1 17 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.301 0.045 11451 12525 1 17 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.641 -3.159 11451 12526 1 17 . 1 1 65 65 LYS H H 65 7.879 7.879 8.206 -0.327 11451 12527 1 17 . 1 1 66 66 GLU N N 66 118.805 118.805 119.475 -0.670 11451 12528 1 17 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.131 0.026 11451 12529 1 17 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.279 -0.397 11451 12530 1 17 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.188 0.162 11451 12531 1 17 . 1 1 66 66 GLU H H 66 7.872 7.872 8.668 -0.796 11451 12532 1 17 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.501 0.353 11451 12533 1 17 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.364 -1.209 11451 12534 1 17 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.249 0.441 11451 12535 1 17 . 1 1 68 68 ILE N N 68 112.686 112.686 123.880 -11.194 11451 12536 1 17 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.473 -0.036 11451 12537 1 17 . 1 1 68 68 ILE CA C 68 58.971 58.971 60.005 -1.034 11451 12538 1 17 . 1 1 68 68 ILE CB C 68 41.525 41.525 39.967 1.558 11451 12539 1 17 . 1 1 68 68 ILE H H 68 8.235 8.235 8.564 -0.329 11451 12540 1 17 . 1 1 69 69 LYS N N 69 121.199 121.199 121.914 -0.715 11451 12541 1 17 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.664 -0.723 11451 12542 1 17 . 1 1 69 69 LYS CA C 69 55.060 55.060 54.494 0.566 11451 12543 1 17 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.908 -0.768 11451 12544 1 17 . 1 1 69 69 LYS H H 69 7.849 7.849 8.222 -0.373 11451 12545 1 17 . 1 1 70 70 ASN N N 70 126.585 126.585 119.644 6.941 11451 12546 1 17 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.630 -0.408 11451 12547 1 17 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.876 -0.548 11451 12548 1 17 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.927 -1.790 11451 12549 1 17 . 1 1 70 70 ASN H H 70 10.816 10.816 8.895 1.921 11451 12550 1 17 . 1 1 71 71 GLU N N 71 126.223 126.223 124.456 1.767 11451 12551 1 17 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.626 0.027 11451 12552 1 17 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.406 -0.809 11451 12553 1 17 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.551 0.229 11451 12554 1 17 . 1 1 71 71 GLU H H 71 8.202 8.202 8.798 -0.596 11451 12555 1 17 . 1 1 72 72 ALA N N 72 120.736 120.736 123.089 -2.353 11451 12556 1 17 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.218 0.014 11451 12557 1 17 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.831 0.289 11451 12558 1 17 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.084 -0.578 11451 12559 1 17 . 1 1 72 72 ALA H H 72 9.149 9.149 8.258 0.891 11451 12560 1 17 . 1 1 73 73 ASN N N 73 114.744 114.744 116.344 -1.600 11451 12561 1 17 . 1 1 73 73 ASN HA H 73 3.181 3.181 3.307 -0.126 11451 12562 1 17 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.344 -1.014 11451 12563 1 17 . 1 1 73 73 ASN CB C 73 34.676 34.676 37.149 -2.473 11451 12564 1 17 . 1 1 73 73 ASN H H 73 7.892 7.892 8.239 -0.347 11451 12565 1 17 . 1 1 74 74 ASN N N 74 119.796 119.796 117.429 2.367 11451 12566 1 17 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.549 -0.170 11451 12567 1 17 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.130 -0.363 11451 12568 1 17 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.351 0.064 11451 12569 1 17 . 1 1 74 74 ASN H H 74 8.408 8.408 7.713 0.695 11451 12570 1 17 . 1 1 75 75 GLY N N 75 108.891 108.891 107.842 1.049 11451 12571 1 17 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.405 0.222 11451 12572 1 17 . 1 1 75 75 GLY H H 75 7.971 7.971 7.772 0.199 11451 12573 1 17 . 1 1 76 76 LEU N N 76 120.602 120.602 120.464 0.138 11451 12574 1 17 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.304 0.007 11451 12575 1 17 . 1 1 76 76 LEU CA C 76 54.599 54.599 55.021 -0.422 11451 12576 1 17 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.492 -1.404 11451 12577 1 17 . 1 1 76 76 LEU H H 76 7.734 7.734 8.059 -0.325 11451 12578 1 17 . 1 1 77 77 LYS N N 77 121.982 121.982 118.629 3.353 11451 12579 1 17 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.785 -0.335 11451 12580 1 17 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.780 0.221 11451 12581 1 17 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.589 -0.889 11451 12582 1 17 . 1 1 77 77 LYS H H 77 8.161 8.161 8.185 -0.024 11451 12583 1 17 . 1 1 78 78 ASN N N 78 124.764 124.764 124.024 0.740 11451 12584 1 17 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.074 -0.407 11451 12585 1 17 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.071 1.244 11451 12586 1 17 . 1 1 78 78 ASN CB C 78 37.130 37.130 38.407 -1.277 11451 12587 1 17 . 1 1 78 78 ASN H H 78 9.564 9.564 9.446 0.118 11451 12588 1 17 . 1 1 79 79 THR N N 79 114.955 114.955 111.607 3.348 11451 12589 1 17 . 1 1 79 79 THR HA H 79 4.263 4.263 4.692 -0.429 11451 12590 1 17 . 1 1 79 79 THR CA C 79 60.774 60.774 59.169 1.605 11451 12591 1 17 . 1 1 79 79 THR CB C 79 70.347 70.347 71.516 -1.169 11451 12592 1 17 . 1 1 79 79 THR H H 79 8.190 8.190 7.833 0.357 11451 12593 1 17 . 1 1 80 80 ARG N N 80 124.080 124.080 124.854 -0.774 11451 12594 1 17 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.845 -0.642 11451 12595 1 17 . 1 1 80 80 ARG CA C 80 58.487 58.487 58.046 0.441 11451 12596 1 17 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.785 -0.876 11451 12597 1 17 . 1 1 80 80 ARG H H 80 9.203 9.203 8.879 0.324 11451 12598 1 17 . 1 1 81 81 GLY N N 81 115.741 115.741 115.016 0.725 11451 12599 1 17 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.221 -0.150 11451 12600 1 17 . 1 1 81 81 GLY H H 81 8.976 8.976 9.208 -0.232 11451 12601 1 17 . 1 1 82 82 THR N N 82 110.362 110.362 111.739 -1.377 11451 12602 1 17 . 1 1 82 82 THR HA H 82 4.623 4.623 4.607 0.016 11451 12603 1 17 . 1 1 82 82 THR CA C 82 61.694 61.694 59.847 1.847 11451 12604 1 17 . 1 1 82 82 THR CB C 82 72.230 72.230 71.412 0.818 11451 12605 1 17 . 1 1 82 82 THR H H 82 8.070 8.070 7.635 0.435 11451 12606 1 17 . 1 1 83 83 LEU N N 83 121.341 121.341 123.441 -2.100 11451 12607 1 17 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.309 -0.090 11451 12608 1 17 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.877 0.473 11451 12609 1 17 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.621 -2.102 11451 12610 1 17 . 1 1 83 83 LEU H H 83 7.918 7.918 8.260 -0.342 11451 12611 1 17 . 1 1 84 84 ALA N N 84 121.663 121.663 123.927 -2.264 11451 12612 1 17 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.300 0.217 11451 12613 1 17 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.474 -0.405 11451 12614 1 17 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.660 1.325 11451 12615 1 17 . 1 1 84 84 ALA H H 84 8.053 8.053 7.984 0.069 11451 12616 1 17 . 1 1 85 85 MET N N 85 115.338 115.338 117.660 -2.322 11451 12617 1 17 . 1 1 85 85 MET HA H 85 5.241 5.241 4.785 0.456 11451 12618 1 17 . 1 1 85 85 MET CA C 85 52.707 52.707 55.647 -2.940 11451 12619 1 17 . 1 1 85 85 MET CB C 85 29.801 29.801 33.048 -3.247 11451 12620 1 17 . 1 1 85 85 MET H H 85 7.539 7.539 8.042 -0.503 11451 12621 1 17 . 1 1 86 86 ALA N N 86 126.558 126.558 124.333 2.225 11451 12622 1 17 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.971 -0.288 11451 12623 1 17 . 1 1 86 86 ALA CA C 86 51.207 51.207 50.704 0.503 11451 12624 1 17 . 1 1 86 86 ALA CB C 86 19.416 19.416 21.451 -2.035 11451 12625 1 17 . 1 1 86 86 ALA H H 86 8.287 8.287 8.597 -0.310 11451 12626 1 17 . 1 1 87 87 ARG N N 87 113.623 113.623 118.884 -5.261 11451 12627 1 17 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.653 -0.019 11451 12628 1 17 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.088 0.680 11451 12629 1 17 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.859 -3.137 11451 12630 1 17 . 1 1 87 87 ARG H H 87 8.031 8.031 8.596 -0.565 11451 12631 1 17 . 1 1 88 88 THR N N 88 111.627 111.627 119.471 -7.844 11451 12632 1 17 . 1 1 88 88 THR HA H 88 4.624 4.624 4.461 0.163 11451 12633 1 17 . 1 1 88 88 THR CA C 88 60.554 60.554 62.304 -1.750 11451 12634 1 17 . 1 1 88 88 THR CB C 88 68.430 68.430 66.936 1.494 11451 12635 1 17 . 1 1 88 88 THR H H 88 7.892 7.892 8.408 -0.516 11451 12636 1 17 . 1 1 89 89 GLN N N 89 117.361 117.361 118.140 -0.779 11451 12637 1 17 . 1 1 89 89 GLN HA H 89 3.851 3.851 3.737 0.114 11451 12638 1 17 . 1 1 89 89 GLN CA C 89 58.911 58.911 58.449 0.462 11451 12639 1 17 . 1 1 89 89 GLN CB C 89 28.370 28.370 26.501 1.869 11451 12640 1 17 . 1 1 89 89 GLN H H 89 8.188 8.188 8.292 -0.104 11451 12641 1 17 . 1 1 90 90 ALA N N 90 122.998 122.998 122.268 0.730 11451 12642 1 17 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.478 -0.133 11451 12643 1 17 . 1 1 90 90 ALA CA C 90 49.726 49.726 49.531 0.195 11451 12644 1 17 . 1 1 90 90 ALA CB C 90 17.174 17.174 18.812 -1.638 11451 12645 1 17 . 1 1 90 90 ALA H H 90 7.962 7.962 7.840 0.122 11451 12646 1 17 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.861 -0.393 11451 12647 1 17 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.335 1.102 11451 12648 1 17 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.172 -1.203 11451 12649 1 17 . 1 1 92 92 HIS N N 92 118.470 118.470 116.160 2.310 11451 12650 1 17 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.906 -0.082 11451 12651 1 17 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.587 -1.386 11451 12652 1 17 . 1 1 92 92 HIS CB C 92 28.309 28.309 28.455 -0.146 11451 12653 1 17 . 1 1 92 92 HIS H H 92 7.977 7.977 8.039 -0.062 11451 12654 1 17 . 1 1 93 93 SER N N 93 108.425 108.425 114.036 -5.611 11451 12655 1 17 . 1 1 93 93 SER HA H 93 4.380 4.380 4.601 -0.221 11451 12656 1 17 . 1 1 93 93 SER CA C 93 57.696 57.696 58.231 -0.535 11451 12657 1 17 . 1 1 93 93 SER CB C 93 65.924 65.924 64.134 1.790 11451 12658 1 17 . 1 1 93 93 SER H H 93 6.374 6.374 7.505 -1.131 11451 12659 1 17 . 1 1 94 94 ALA N N 94 130.109 130.109 125.227 4.882 11451 12660 1 17 . 1 1 94 94 ALA HA H 94 4.276 4.276 5.083 -0.807 11451 12661 1 17 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.099 3.074 11451 12662 1 17 . 1 1 94 94 ALA CB C 94 20.366 20.366 20.081 0.285 11451 12663 1 17 . 1 1 94 94 ALA H H 94 8.543 8.543 7.387 1.156 11451 12664 1 17 . 1 1 95 95 THR N N 95 110.794 110.794 115.877 -5.083 11451 12665 1 17 . 1 1 95 95 THR HA H 95 4.722 4.722 4.472 0.250 11451 12666 1 17 . 1 1 95 95 THR CA C 95 59.725 59.725 63.391 -3.666 11451 12667 1 17 . 1 1 95 95 THR CB C 95 70.157 70.157 69.846 0.311 11451 12668 1 17 . 1 1 95 95 THR H H 95 8.925 8.925 8.236 0.690 11451 12669 1 17 . 1 1 96 96 ALA N N 96 121.615 121.615 123.160 -1.545 11451 12670 1 17 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.785 -0.358 11451 12671 1 17 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.870 -0.334 11451 12672 1 17 . 1 1 96 96 ALA CB C 96 23.216 23.216 18.778 4.438 11451 12673 1 17 . 1 1 96 96 ALA H H 96 7.954 7.954 8.064 -0.110 11451 12674 1 17 . 1 1 97 97 GLN N N 97 115.548 115.548 118.077 -2.529 11451 12675 1 17 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.923 -0.294 11451 12676 1 17 . 1 1 97 97 GLN CA C 97 57.388 57.388 55.170 2.218 11451 12677 1 17 . 1 1 97 97 GLN CB C 97 30.757 30.757 31.848 -1.091 11451 12678 1 17 . 1 1 97 97 GLN H H 97 7.866 7.866 7.943 -0.077 11451 12679 1 17 . 1 1 98 98 PHE N N 98 117.593 117.593 118.890 -1.297 11451 12680 1 17 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.590 0.198 11451 12681 1 17 . 1 1 98 98 PHE CA C 98 54.655 54.655 56.311 -1.656 11451 12682 1 17 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.060 0.165 11451 12683 1 17 . 1 1 98 98 PHE H H 98 7.623 7.623 8.130 -0.507 11451 12684 1 17 . 1 1 99 99 PHE N N 99 116.226 116.226 114.757 1.469 11451 12685 1 17 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.208 0.524 11451 12686 1 17 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.636 -0.587 11451 12687 1 17 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.140 1.880 11451 12688 1 17 . 1 1 99 99 PHE H H 99 9.518 9.518 8.769 0.749 11451 12689 1 17 . 1 1 100 100 ILE N N 100 117.687 117.687 120.198 -2.511 11451 12690 1 17 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.822 0.005 11451 12691 1 17 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.134 -0.785 11451 12692 1 17 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.973 -0.304 11451 12693 1 17 . 1 1 100 100 ILE H H 100 9.136 9.136 8.991 0.145 11451 12694 1 17 . 1 1 101 101 ASN N N 101 126.524 126.524 127.815 -1.291 11451 12695 1 17 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.809 -0.350 11451 12696 1 17 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.414 2.319 11451 12697 1 17 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.502 1.424 11451 12698 1 17 . 1 1 101 101 ASN H H 101 8.877 8.877 9.161 -0.284 11451 12699 1 17 . 1 1 102 102 VAL N N 102 117.660 117.660 117.757 -0.097 11451 12700 1 17 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.064 0.347 11451 12701 1 17 . 1 1 102 102 VAL CA C 102 61.907 61.907 62.700 -0.793 11451 12702 1 17 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.462 -2.092 11451 12703 1 17 . 1 1 102 102 VAL H H 102 7.700 7.700 7.914 -0.214 11451 12704 1 17 . 1 1 103 103 VAL N N 103 116.637 116.637 111.495 5.142 11451 12705 1 17 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.429 -0.076 11451 12706 1 17 . 1 1 103 103 VAL CA C 103 59.659 59.659 59.004 0.655 11451 12707 1 17 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.892 0.617 11451 12708 1 17 . 1 1 103 103 VAL H H 103 7.753 7.753 7.027 0.726 11451 12709 1 17 . 1 1 104 104 ASP N N 104 118.510 118.510 121.712 -3.202 11451 12710 1 17 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.491 -0.236 11451 12711 1 17 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.343 0.157 11451 12712 1 17 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.097 -2.009 11451 12713 1 17 . 1 1 104 104 ASP H H 104 8.171 8.171 8.488 -0.317 11451 12714 1 17 . 1 1 105 105 ASN N N 105 128.132 128.132 126.443 1.689 11451 12715 1 17 . 1 1 105 105 ASN HA H 105 5.079 5.079 5.145 -0.066 11451 12716 1 17 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.478 -0.950 11451 12717 1 17 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.091 0.044 11451 12718 1 17 . 1 1 105 105 ASN H H 105 8.352 8.352 8.895 -0.543 11451 12719 1 17 . 1 1 106 106 ASP N N 106 121.636 121.636 122.955 -1.319 11451 12720 1 17 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.402 -0.131 11451 12721 1 17 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.458 -0.671 11451 12722 1 17 . 1 1 106 106 ASP CB C 106 39.805 39.805 41.122 -1.317 11451 12723 1 17 . 1 1 106 106 ASP H H 106 8.203 8.203 8.574 -0.371 11451 12724 1 17 . 1 1 107 107 PHE N N 107 114.525 114.525 115.521 -0.996 11451 12725 1 17 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.531 -0.033 11451 12726 1 17 . 1 1 107 107 PHE CA C 107 57.395 57.395 58.828 -1.433 11451 12727 1 17 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.605 -1.825 11451 12728 1 17 . 1 1 107 107 PHE H H 107 7.388 7.388 8.101 -0.713 11451 12729 1 17 . 1 1 108 108 LEU N N 108 121.576 121.576 118.388 3.188 11451 12730 1 17 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.344 0.122 11451 12731 1 17 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.043 -0.565 11451 12732 1 17 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.123 0.975 11451 12733 1 17 . 1 1 108 108 LEU H H 108 7.163 7.163 7.381 -0.218 11451 12734 1 17 . 1 1 109 109 ASN N N 109 116.121 116.121 118.141 -2.020 11451 12735 1 17 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.942 0.207 11451 12736 1 17 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.020 -0.050 11451 12737 1 17 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.227 -1.108 11451 12738 1 17 . 1 1 109 109 ASN H H 109 7.312 7.312 7.697 -0.385 11451 12739 1 17 . 1 1 110 110 PHE N N 110 124.182 124.182 118.996 5.186 11451 12740 1 17 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.789 -0.537 11451 12741 1 17 . 1 1 110 110 PHE CA C 110 59.055 59.055 58.977 0.078 11451 12742 1 17 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.394 -0.601 11451 12743 1 17 . 1 1 110 110 PHE H H 110 8.825 8.825 8.900 -0.075 11451 12744 1 17 . 1 1 111 111 SER N N 111 122.136 122.136 120.248 1.888 11451 12745 1 17 . 1 1 111 111 SER HA H 111 4.179 4.179 4.389 -0.210 11451 12746 1 17 . 1 1 111 111 SER CA C 111 57.521 57.521 57.925 -0.404 11451 12747 1 17 . 1 1 111 111 SER CB C 111 64.617 64.617 64.243 0.374 11451 12748 1 17 . 1 1 111 111 SER H H 111 9.456 9.456 8.060 1.396 11451 12749 1 17 . 1 1 112 112 GLY N N 112 110.435 110.435 107.679 2.756 11451 12750 1 17 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.477 0.901 11451 12751 1 17 . 1 1 112 112 GLY H H 112 5.514 5.514 7.032 -1.518 11451 12752 1 17 . 1 1 113 113 GLU N N 113 118.926 118.926 116.513 2.413 11451 12753 1 17 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.576 -0.929 11451 12754 1 17 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.224 -2.254 11451 12755 1 17 . 1 1 113 113 GLU CB C 113 26.663 26.663 28.785 -2.122 11451 12756 1 17 . 1 1 113 113 GLU H H 113 7.862 7.862 8.042 -0.180 11451 12757 1 17 . 1 1 114 114 SER N N 114 119.323 119.323 113.543 5.780 11451 12758 1 17 . 1 1 114 114 SER HA H 114 4.625 4.625 4.860 -0.235 11451 12759 1 17 . 1 1 114 114 SER CA C 114 56.279 56.279 56.650 -0.371 11451 12760 1 17 . 1 1 114 114 SER H H 114 7.621 7.621 7.545 0.076 11451 12761 1 17 . 1 1 115 115 LEU N N 115 122.373 122.373 128.081 -5.708 11451 12762 1 17 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.964 0.153 11451 12763 1 17 . 1 1 115 115 LEU CA C 115 58.960 58.960 58.106 0.854 11451 12764 1 17 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.953 -0.828 11451 12765 1 17 . 1 1 115 115 LEU H H 115 8.745 8.745 9.159 -0.414 11451 12766 1 17 . 1 1 116 116 GLN N N 116 114.490 114.490 115.967 -1.477 11451 12767 1 17 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.269 -0.007 11451 12768 1 17 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.733 0.395 11451 12769 1 17 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.329 -0.132 11451 12770 1 17 . 1 1 116 116 GLN H H 116 8.292 8.292 8.620 -0.328 11451 12771 1 17 . 1 1 117 117 GLY N N 117 109.729 109.729 108.256 1.473 11451 12772 1 17 . 1 1 117 117 GLY CA C 117 45.541 45.541 45.152 0.389 11451 12773 1 17 . 1 1 117 117 GLY H H 117 7.832 7.832 8.268 -0.436 11451 12774 1 17 . 1 1 118 118 TRP N N 118 123.807 123.807 123.871 -0.064 11451 12775 1 17 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.904 -0.590 11451 12776 1 17 . 1 1 118 118 TRP CA C 118 62.294 62.294 53.901 8.393 11451 12777 1 17 . 1 1 118 118 TRP CB C 118 30.167 30.167 27.867 2.300 11451 12778 1 17 . 1 1 118 118 TRP H H 118 7.801 7.801 7.897 -0.096 11451 12779 1 17 . 1 1 119 119 GLY N N 119 124.815 124.815 112.753 12.062 11451 12780 1 17 . 1 1 119 119 GLY CA C 119 45.319 45.319 44.962 0.357 11451 12781 1 17 . 1 1 119 119 GLY H H 119 7.438 7.438 8.824 -1.386 11451 12782 1 17 . 1 1 120 120 TYR N N 120 119.720 119.720 118.075 1.645 11451 12783 1 17 . 1 1 120 120 TYR HA H 120 5.202 5.202 4.943 0.259 11451 12784 1 17 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.164 0.155 11451 12785 1 17 . 1 1 120 120 TYR CB C 120 39.739 39.739 41.773 -2.034 11451 12786 1 17 . 1 1 120 120 TYR H H 120 8.281 8.281 8.700 -0.419 11451 12787 1 17 . 1 1 121 121 CYS N N 121 126.117 126.117 122.354 3.763 11451 12788 1 17 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.629 -0.390 11451 12789 1 17 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.527 1.170 11451 12790 1 17 . 1 1 121 121 CYS CB C 121 28.010 28.010 29.083 -1.073 11451 12791 1 17 . 1 1 121 121 CYS H H 121 9.818 9.818 9.053 0.765 11451 12792 1 17 . 1 1 122 122 VAL N N 122 106.168 106.168 129.686 -23.518 11451 12793 1 17 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.208 0.355 11451 12794 1 17 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.250 -0.600 11451 12795 1 17 . 1 1 122 122 VAL CB C 122 31.479 31.479 31.176 0.303 11451 12796 1 17 . 1 1 122 122 VAL H H 122 9.382 9.382 8.838 0.544 11451 12797 1 17 . 1 1 123 123 PHE N N 123 118.398 118.398 125.310 -6.912 11451 12798 1 17 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.686 0.175 11451 12799 1 17 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.435 -2.496 11451 12800 1 17 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.693 1.947 11451 12801 1 17 . 1 1 123 123 PHE H H 123 7.842 7.842 8.259 -0.417 11451 12802 1 17 . 1 1 124 124 ALA N N 124 124.412 124.412 118.624 5.788 11451 12803 1 17 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.691 -0.041 11451 12804 1 17 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.544 0.215 11451 12805 1 17 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.740 1.895 11451 12806 1 17 . 1 1 124 124 ALA H H 124 7.327 7.327 6.999 0.328 11451 12807 1 17 . 1 1 125 125 GLU N N 125 115.272 115.272 117.435 -2.163 11451 12808 1 17 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.630 0.141 11451 12809 1 17 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.139 0.512 11451 12810 1 17 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.469 -0.699 11451 12811 1 17 . 1 1 125 125 GLU H H 125 8.223 8.223 8.204 0.019 11451 12812 1 17 . 1 1 126 126 VAL N N 126 123.948 123.948 121.637 2.311 11451 12813 1 17 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.956 -0.047 11451 12814 1 17 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.589 -0.324 11451 12815 1 17 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.577 -0.767 11451 12816 1 17 . 1 1 126 126 VAL H H 126 8.786 8.786 8.283 0.503 11451 12817 1 17 . 1 1 127 127 VAL N N 127 123.644 123.644 127.850 -4.206 11451 12818 1 17 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.202 0.148 11451 12819 1 17 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.718 -2.224 11451 12820 1 17 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.636 -0.155 11451 12821 1 17 . 1 1 127 127 VAL H H 127 9.096 9.096 8.978 0.118 11451 12822 1 17 . 1 1 128 128 ASP N N 128 121.165 121.165 118.886 2.279 11451 12823 1 17 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.804 0.118 11451 12824 1 17 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.855 0.546 11451 12825 1 17 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.402 -1.353 11451 12826 1 17 . 1 1 128 128 ASP H H 128 7.719 7.719 7.699 0.020 11451 12827 1 17 . 1 1 129 129 GLY N N 129 110.821 110.821 108.503 2.318 11451 12828 1 17 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.546 0.215 11451 12829 1 17 . 1 1 129 129 GLY H H 129 8.276 8.276 8.921 -0.645 11451 12830 1 17 . 1 1 130 130 MET N N 130 122.991 122.991 120.577 2.414 11451 12831 1 17 . 1 1 130 130 MET HA H 130 4.468 4.468 4.183 0.285 11451 12832 1 17 . 1 1 130 130 MET CA C 130 55.953 55.953 57.055 -1.102 11451 12833 1 17 . 1 1 130 130 MET CB C 130 28.771 28.771 31.188 -2.417 11451 12834 1 17 . 1 1 130 130 MET H H 130 8.945 8.945 8.442 0.503 11451 12835 1 17 . 1 1 131 131 ASP N N 131 117.183 117.183 118.625 -1.442 11451 12836 1 17 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.425 -0.180 11451 12837 1 17 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.350 -0.711 11451 12838 1 17 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.350 -1.672 11451 12839 1 17 . 1 1 131 131 ASP H H 131 8.924 8.924 8.728 0.196 11451 12840 1 17 . 1 1 132 132 VAL N N 132 124.340 124.340 119.665 4.675 11451 12841 1 17 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.802 -0.363 11451 12842 1 17 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.225 0.790 11451 12843 1 17 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.437 -0.656 11451 12844 1 17 . 1 1 132 132 VAL H H 132 7.222 7.222 7.756 -0.534 11451 12845 1 17 . 1 1 133 133 VAL N N 133 121.730 121.730 120.819 0.911 11451 12846 1 17 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.437 -0.419 11451 12847 1 17 . 1 1 133 133 VAL CA C 133 67.076 67.076 67.236 -0.160 11451 12848 1 17 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.346 -0.526 11451 12849 1 17 . 1 1 133 133 VAL H H 133 7.367 7.367 8.101 -0.734 11451 12850 1 17 . 1 1 134 134 ASP N N 134 117.555 117.555 117.889 -0.334 11451 12851 1 17 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.280 -0.030 11451 12852 1 17 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.976 -0.713 11451 12853 1 17 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.053 -1.241 11451 12854 1 17 . 1 1 134 134 ASP H H 134 8.411 8.411 8.371 0.040 11451 12855 1 17 . 1 1 135 135 LYS N N 135 122.646 122.646 118.873 3.773 11451 12856 1 17 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.121 -0.120 11451 12857 1 17 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.003 0.905 11451 12858 1 17 . 1 1 135 135 LYS CB C 135 32.010 32.010 31.943 0.067 11451 12859 1 17 . 1 1 135 135 LYS H H 135 7.418 7.418 7.098 0.320 11451 12860 1 17 . 1 1 136 136 ILE N N 136 121.613 121.613 118.225 3.388 11451 12861 1 17 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.430 -0.368 11451 12862 1 17 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.690 0.617 11451 12863 1 17 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.869 -0.570 11451 12864 1 17 . 1 1 136 136 ILE H H 136 8.075 8.075 8.316 -0.241 11451 12865 1 17 . 1 1 137 137 LYS N N 137 113.499 113.499 115.351 -1.852 11451 12866 1 17 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.213 -0.469 11451 12867 1 17 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.176 0.712 11451 12868 1 17 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.435 -1.080 11451 12869 1 17 . 1 1 137 137 LYS H H 137 7.976 7.976 7.434 0.542 11451 12870 1 17 . 1 1 138 138 GLY N N 138 104.829 104.829 107.304 -2.475 11451 12871 1 17 . 1 1 138 138 GLY CA C 138 44.181 44.181 44.928 -0.747 11451 12872 1 17 . 1 1 138 138 GLY H H 138 6.858 6.858 7.642 -0.784 11451 12873 1 17 . 1 1 139 139 VAL N N 139 116.189 116.189 118.159 -1.970 11451 12874 1 17 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.829 0.254 11451 12875 1 17 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.436 -2.692 11451 12876 1 17 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.831 1.019 11451 12877 1 17 . 1 1 139 139 VAL H H 139 7.220 7.220 7.709 -0.489 11451 12878 1 17 . 1 1 140 140 ALA N N 140 123.097 123.097 120.725 2.372 11451 12879 1 17 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.560 -0.278 11451 12880 1 17 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.257 0.593 11451 12881 1 17 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.348 -1.976 11451 12882 1 17 . 1 1 140 140 ALA H H 140 8.262 8.262 7.836 0.426 11451 12883 1 17 . 1 1 141 141 THR N N 141 113.326 113.326 113.655 -0.329 11451 12884 1 17 . 1 1 141 141 THR HA H 141 4.925 4.925 5.040 -0.115 11451 12885 1 17 . 1 1 141 141 THR CA C 141 59.382 59.382 60.039 -0.657 11451 12886 1 17 . 1 1 141 141 THR CB C 141 73.286 73.286 71.546 1.740 11451 12887 1 17 . 1 1 141 141 THR H H 141 8.278 8.278 8.011 0.267 11451 12888 1 17 . 1 1 142 142 GLY N N 142 107.299 107.299 111.072 -3.773 11451 12889 1 17 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.627 -0.455 11451 12890 1 17 . 1 1 142 142 GLY H H 142 8.484 8.484 8.540 -0.056 11451 12891 1 17 . 1 1 143 143 ARG N N 143 120.230 120.230 121.150 -0.920 11451 12892 1 17 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.278 0.519 11451 12893 1 17 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.252 -1.052 11451 12894 1 17 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.937 0.414 11451 12895 1 17 . 1 1 143 143 ARG H H 143 8.185 8.185 8.148 0.037 11451 12896 1 17 . 1 1 144 144 SER N N 144 119.429 119.429 119.702 -0.273 11451 12897 1 17 . 1 1 144 144 SER HA H 144 4.466 4.466 4.650 -0.184 11451 12898 1 17 . 1 1 144 144 SER CA C 144 56.856 56.856 57.124 -0.268 11451 12899 1 17 . 1 1 144 144 SER CB C 144 63.174 63.174 65.690 -2.516 11451 12900 1 17 . 1 1 144 144 SER H H 144 8.427 8.427 8.492 -0.065 11451 12901 1 17 . 1 1 145 145 GLY N N 145 117.736 117.736 108.083 9.653 11451 12902 1 17 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.402 0.284 11451 12903 1 17 . 1 1 145 145 GLY H H 145 8.902 8.902 8.846 0.056 11451 12904 1 17 . 1 1 146 146 MET N N 146 125.723 125.723 118.212 7.511 11451 12905 1 17 . 1 1 146 146 MET HA H 146 4.315 4.315 4.423 -0.108 11451 12906 1 17 . 1 1 146 146 MET CA C 146 55.431 55.431 55.911 -0.480 11451 12907 1 17 . 1 1 146 146 MET H H 146 8.827 8.827 7.463 1.364 11451 12908 1 17 . 1 1 147 147 HIS N N 147 121.581 121.581 116.271 5.310 11451 12909 1 17 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.822 -0.398 11451 12910 1 17 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.363 0.712 11451 12911 1 17 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.469 -0.876 11451 12912 1 17 . 1 1 147 147 HIS H H 147 8.010 8.010 8.180 -0.170 11451 12913 1 17 . 1 1 148 148 GLN N N 148 121.305 121.305 124.859 -3.554 11451 12914 1 17 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.412 0.058 11451 12915 1 17 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.967 -1.503 11451 12916 1 17 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.026 1.665 11451 12917 1 17 . 1 1 148 148 GLN H H 148 8.681 8.681 8.588 0.093 11451 12918 1 17 . 1 1 149 149 ASP N N 149 117.085 117.085 118.208 -1.123 11451 12919 1 17 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.913 -0.434 11451 12920 1 17 . 1 1 149 149 ASP H H 149 8.635 8.635 8.682 -0.047 11451 12921 1 17 . 1 1 150 150 VAL N N 150 120.313 120.313 111.818 8.495 11451 12922 1 17 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.670 -0.291 11451 12923 1 17 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.246 0.922 11451 12924 1 17 . 1 1 150 150 VAL CB C 150 33.080 33.080 33.922 -0.842 11451 12925 1 17 . 1 1 150 150 VAL H H 150 8.470 8.470 7.571 0.899 11451 12926 1 17 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.695 -0.281 11451 12927 1 17 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.696 1.240 11451 12928 1 17 . 1 1 151 151 PRO CB C 151 32.176 32.176 31.862 0.314 11451 12929 1 17 . 1 1 152 152 LYS N N 152 125.675 125.675 122.406 3.269 11451 12930 1 17 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.246 -0.375 11451 12931 1 17 . 1 1 152 152 LYS CA C 152 58.601 58.601 56.805 1.796 11451 12932 1 17 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.988 -1.203 11451 12933 1 17 . 1 1 152 152 LYS H H 152 8.169 8.169 8.207 -0.038 11451 12934 1 17 . 1 1 153 153 GLU N N 153 119.081 119.081 121.257 -2.176 11451 12935 1 17 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.332 0.063 11451 12936 1 17 . 1 1 153 153 GLU CA C 153 54.216 54.216 56.880 -2.664 11451 12937 1 17 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.451 0.287 11451 12938 1 17 . 1 1 153 153 GLU H H 153 7.960 7.960 7.771 0.189 11451 12939 1 17 . 1 1 154 154 ASP N N 154 121.884 121.884 121.590 0.294 11451 12940 1 17 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.620 -0.388 11451 12941 1 17 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.952 2.148 11451 12942 1 17 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.249 -0.709 11451 12943 1 17 . 1 1 154 154 ASP H H 154 8.149 8.149 8.571 -0.422 11451 12944 1 17 . 1 1 155 155 VAL N N 155 129.777 129.777 126.182 3.595 11451 12945 1 17 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.828 -0.389 11451 12946 1 17 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.863 0.448 11451 12947 1 17 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.496 -1.027 11451 12948 1 17 . 1 1 155 155 VAL H H 155 10.043 10.043 8.761 1.282 11451 12949 1 17 . 1 1 156 156 ILE N N 156 125.807 125.807 123.613 2.194 11451 12950 1 17 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.260 -0.848 11451 12951 1 17 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.563 2.122 11451 12952 1 17 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.633 0.281 11451 12953 1 17 . 1 1 156 156 ILE H H 156 8.252 8.252 9.477 -1.225 11451 12954 1 17 . 1 1 157 157 ILE N N 157 126.581 126.581 126.121 0.460 11451 12955 1 17 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.248 -0.569 11451 12956 1 17 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.828 0.678 11451 12957 1 17 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.651 -0.279 11451 12958 1 17 . 1 1 157 157 ILE H H 157 9.168 9.168 9.195 -0.027 11451 12959 1 17 . 1 1 158 158 GLU N N 158 130.185 130.185 128.583 1.602 11451 12960 1 17 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.295 -0.255 11451 12961 1 17 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.416 0.490 11451 12962 1 17 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.765 -0.767 11451 12963 1 17 . 1 1 158 158 GLU H H 158 8.910 8.910 8.839 0.071 11451 12964 1 17 . 1 1 159 159 SER N N 159 108.037 108.037 112.324 -4.287 11451 12965 1 17 . 1 1 159 159 SER HA H 159 4.399 4.399 4.930 -0.531 11451 12966 1 17 . 1 1 159 159 SER CA C 159 57.505 57.505 57.465 0.040 11451 12967 1 17 . 1 1 159 159 SER CB C 159 64.403 64.403 64.786 -0.383 11451 12968 1 17 . 1 1 159 159 SER H H 159 7.772 7.772 8.013 -0.241 11451 12969 1 17 . 1 1 160 160 VAL N N 160 119.790 119.790 121.991 -2.201 11451 12970 1 17 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.429 -0.254 11451 12971 1 17 . 1 1 160 160 VAL CA C 160 60.565 60.565 61.208 -0.643 11451 12972 1 17 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.640 -0.625 11451 12973 1 17 . 1 1 160 160 VAL H H 160 7.681 7.681 8.569 -0.888 11451 12974 1 17 . 1 1 161 161 THR N N 161 122.628 122.628 122.564 0.064 11451 12975 1 17 . 1 1 161 161 THR HA H 161 4.662 4.662 4.727 -0.065 11451 12976 1 17 . 1 1 161 161 THR CA C 161 61.452 61.452 61.009 0.443 11451 12977 1 17 . 1 1 161 161 THR CB C 161 70.781 70.781 71.507 -0.726 11451 12978 1 17 . 1 1 161 161 THR H H 161 8.817 8.817 9.338 -0.521 11451 12979 1 17 . 1 1 162 162 VAL N N 162 129.304 129.304 128.053 1.251 11451 12980 1 17 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.359 0.128 11451 12981 1 17 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.426 -0.669 11451 12982 1 17 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.061 0.421 11451 12983 1 17 . 1 1 162 162 VAL H H 162 9.075 9.075 8.662 0.413 11451 12984 1 17 . 1 1 163 163 SER N N 163 123.979 123.979 123.547 0.432 11451 12985 1 17 . 1 1 163 163 SER HA H 163 4.601 4.601 4.761 -0.160 11451 12986 1 17 . 1 1 163 163 SER CA C 163 57.521 57.521 56.995 0.526 11451 12987 1 17 . 1 1 163 163 SER CB C 163 64.409 64.409 64.496 -0.087 11451 12988 1 17 . 1 1 163 163 SER H H 163 8.727 8.727 8.658 0.069 11451 12989 1 18 . 1 1 2 2 VAL N N 2 123.776 123.776 121.071 2.705 11451 12990 1 18 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.729 0.046 11451 12991 1 18 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.858 0.166 11451 12992 1 18 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.785 0.346 11451 12993 1 18 . 1 1 2 2 VAL H H 2 8.961 8.961 8.991 -0.030 11451 12994 1 18 . 1 1 3 3 THR N N 3 121.749 121.749 123.634 -1.885 11451 12995 1 18 . 1 1 3 3 THR HA H 3 5.053 5.053 4.922 0.131 11451 12996 1 18 . 1 1 3 3 THR CA C 3 61.176 61.176 61.521 -0.345 11451 12997 1 18 . 1 1 3 3 THR CB C 3 70.356 70.356 69.842 0.514 11451 12998 1 18 . 1 1 3 3 THR H H 3 8.912 8.912 9.124 -0.212 11451 12999 1 18 . 1 1 4 4 PHE N N 4 125.726 125.726 126.830 -1.104 11451 13000 1 18 . 1 1 4 4 PHE HA H 4 4.795 4.795 5.019 -0.224 11451 13001 1 18 . 1 1 4 4 PHE CA C 4 54.011 54.011 54.583 -0.572 11451 13002 1 18 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.525 -0.804 11451 13003 1 18 . 1 1 4 4 PHE H H 4 9.442 9.442 9.111 0.331 11451 13004 1 18 . 1 1 5 5 HIS N N 5 125.337 125.337 124.036 1.301 11451 13005 1 18 . 1 1 5 5 HIS HA H 5 5.349 5.349 4.898 0.451 11451 13006 1 18 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.905 -1.597 11451 13007 1 18 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.602 -4.085 11451 13008 1 18 . 1 1 5 5 HIS H H 5 8.897 8.897 9.160 -0.263 11451 13009 1 18 . 1 1 6 6 THR N N 6 115.752 115.752 115.432 0.320 11451 13010 1 18 . 1 1 6 6 THR HA H 6 6.126 6.126 4.927 1.199 11451 13011 1 18 . 1 1 6 6 THR CA C 6 60.220 60.220 59.002 1.218 11451 13012 1 18 . 1 1 6 6 THR CB C 6 72.515 72.515 71.589 0.926 11451 13013 1 18 . 1 1 6 6 THR H H 6 7.881 7.881 8.275 -0.394 11451 13014 1 18 . 1 1 7 7 ASN N N 7 119.451 119.451 120.079 -0.628 11451 13015 1 18 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.597 -0.022 11451 13016 1 18 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.455 0.038 11451 13017 1 18 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.615 -3.281 11451 13018 1 18 . 1 1 7 7 ASN H H 7 9.334 9.334 8.709 0.625 11451 13019 1 18 . 1 1 8 8 HIS N N 8 118.490 118.490 116.105 2.385 11451 13020 1 18 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.834 -0.343 11451 13021 1 18 . 1 1 8 8 HIS CA C 8 56.790 56.790 55.727 1.063 11451 13022 1 18 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.368 1.266 11451 13023 1 18 . 1 1 8 8 HIS H H 8 8.663 8.663 7.305 1.358 11451 13024 1 18 . 1 1 9 9 GLY N N 9 108.550 108.550 108.491 0.059 11451 13025 1 18 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.658 -1.058 11451 13026 1 18 . 1 1 9 9 GLY H H 9 7.320 7.320 7.648 -0.328 11451 13027 1 18 . 1 1 10 10 ASP N N 10 123.900 123.900 122.107 1.793 11451 13028 1 18 . 1 1 10 10 ASP HA H 10 5.620 5.620 4.747 0.873 11451 13029 1 18 . 1 1 10 10 ASP CA C 10 54.310 54.310 55.242 -0.932 11451 13030 1 18 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.253 0.247 11451 13031 1 18 . 1 1 10 10 ASP H H 10 8.857 8.857 8.424 0.433 11451 13032 1 18 . 1 1 11 11 ILE N N 11 121.150 121.150 124.129 -2.979 11451 13033 1 18 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.673 -0.337 11451 13034 1 18 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.016 1.260 11451 13035 1 18 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.108 -0.449 11451 13036 1 18 . 1 1 11 11 ILE H H 11 8.638 8.638 8.662 -0.024 11451 13037 1 18 . 1 1 12 12 VAL N N 12 129.487 129.487 124.684 4.803 11451 13038 1 18 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.882 -0.351 11451 13039 1 18 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.596 1.714 11451 13040 1 18 . 1 1 12 12 VAL CB C 12 32.242 32.242 35.096 -2.854 11451 13041 1 18 . 1 1 12 12 VAL H H 12 8.771 8.771 8.707 0.064 11451 13042 1 18 . 1 1 13 13 ILE N N 13 127.702 127.702 125.450 2.252 11451 13043 1 18 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.794 -0.124 11451 13044 1 18 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.595 0.143 11451 13045 1 18 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.933 -0.374 11451 13046 1 18 . 1 1 13 13 ILE H H 13 9.527 9.527 9.029 0.498 11451 13047 1 18 . 1 1 14 14 LYS N N 14 126.574 126.574 126.533 0.041 11451 13048 1 18 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.645 0.132 11451 13049 1 18 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.489 -0.646 11451 13050 1 18 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.071 0.429 11451 13051 1 18 . 1 1 14 14 LYS H H 14 8.684 8.684 8.757 -0.073 11451 13052 1 18 . 1 1 15 15 THR N N 15 113.811 113.811 117.892 -4.081 11451 13053 1 18 . 1 1 15 15 THR HA H 15 4.130 4.130 4.182 -0.052 11451 13054 1 18 . 1 1 15 15 THR CA C 15 59.806 59.806 60.770 -0.964 11451 13055 1 18 . 1 1 15 15 THR CB C 15 69.319 69.319 69.611 -0.292 11451 13056 1 18 . 1 1 15 15 THR H H 15 8.343 8.343 8.413 -0.070 11451 13057 1 18 . 1 1 16 16 PHE N N 16 122.611 122.611 123.906 -1.295 11451 13058 1 18 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.747 0.528 11451 13059 1 18 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.725 -1.435 11451 13060 1 18 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.910 -0.540 11451 13061 1 18 . 1 1 16 16 PHE H H 16 8.315 8.315 8.858 -0.543 11451 13062 1 18 . 1 1 17 17 ASP N N 17 120.182 120.182 122.938 -2.756 11451 13063 1 18 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.557 -0.795 11451 13064 1 18 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.572 0.386 11451 13065 1 18 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.956 -2.007 11451 13066 1 18 . 1 1 17 17 ASP H H 17 9.106 9.106 8.209 0.897 11451 13067 1 18 . 1 1 18 18 ASP N N 18 111.686 111.686 118.907 -7.221 11451 13068 1 18 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.528 -0.153 11451 13069 1 18 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.302 -1.279 11451 13070 1 18 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.666 -0.903 11451 13071 1 18 . 1 1 18 18 ASP H H 18 8.584 8.584 8.654 -0.070 11451 13072 1 18 . 1 1 19 19 LYS N N 19 118.003 118.003 116.903 1.100 11451 13073 1 18 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.430 0.006 11451 13074 1 18 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.972 -0.585 11451 13075 1 18 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.618 0.249 11451 13076 1 18 . 1 1 19 19 LYS H H 19 7.333 7.333 7.464 -0.131 11451 13077 1 18 . 1 1 20 20 ALA N N 20 123.657 123.657 121.547 2.110 11451 13078 1 18 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.037 -0.419 11451 13079 1 18 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.966 -0.849 11451 13080 1 18 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.826 -0.591 11451 13081 1 18 . 1 1 20 20 ALA H H 20 7.560 7.560 8.204 -0.644 11451 13082 1 18 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.275 0.149 11451 13083 1 18 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.681 0.596 11451 13084 1 18 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.774 -0.267 11451 13085 1 18 . 1 1 22 22 GLU N N 22 122.557 122.557 118.416 4.141 11451 13086 1 18 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.155 -0.143 11451 13087 1 18 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.087 0.536 11451 13088 1 18 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.930 -0.450 11451 13089 1 18 . 1 1 22 22 GLU H H 22 9.855 9.855 8.105 1.750 11451 13090 1 18 . 1 1 23 23 THR N N 23 122.201 122.201 117.646 4.555 11451 13091 1 18 . 1 1 23 23 THR HA H 23 3.584 3.584 4.111 -0.527 11451 13092 1 18 . 1 1 23 23 THR CA C 23 66.554 66.554 66.894 -0.340 11451 13093 1 18 . 1 1 23 23 THR CB C 23 67.614 67.614 68.737 -1.123 11451 13094 1 18 . 1 1 23 23 THR H H 23 9.390 9.390 8.758 0.632 11451 13095 1 18 . 1 1 24 24 VAL N N 24 125.111 125.111 121.520 3.591 11451 13096 1 18 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.751 -0.266 11451 13097 1 18 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.634 1.673 11451 13098 1 18 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.472 -0.583 11451 13099 1 18 . 1 1 24 24 VAL H H 24 9.359 9.359 8.504 0.855 11451 13100 1 18 . 1 1 25 25 LYS N N 25 121.050 121.050 120.430 0.620 11451 13101 1 18 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.925 -0.057 11451 13102 1 18 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.599 0.640 11451 13103 1 18 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.877 -0.180 11451 13104 1 18 . 1 1 25 25 LYS H H 25 7.686 7.686 8.527 -0.841 11451 13105 1 18 . 1 1 26 26 ASN N N 26 116.337 116.337 117.346 -1.009 11451 13106 1 18 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.311 -0.255 11451 13107 1 18 . 1 1 26 26 ASN CA C 26 56.559 56.559 55.743 0.816 11451 13108 1 18 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.149 2.543 11451 13109 1 18 . 1 1 26 26 ASN H H 26 7.535 7.535 7.535 0.000 11451 13110 1 18 . 1 1 27 27 PHE N N 27 119.858 119.858 121.722 -1.864 11451 13111 1 18 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.511 0.028 11451 13112 1 18 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.706 -0.773 11451 13113 1 18 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.153 0.678 11451 13114 1 18 . 1 1 27 27 PHE H H 27 7.867 7.867 7.660 0.207 11451 13115 1 18 . 1 1 28 28 LEU N N 28 120.761 120.761 119.468 1.293 11451 13116 1 18 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.925 -0.182 11451 13117 1 18 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.076 -0.208 11451 13118 1 18 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.413 -0.159 11451 13119 1 18 . 1 1 28 28 LEU H H 28 9.377 9.377 8.743 0.634 11451 13120 1 18 . 1 1 29 29 ASP N N 29 121.607 121.607 119.719 1.888 11451 13121 1 18 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.272 0.023 11451 13122 1 18 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.830 -0.001 11451 13123 1 18 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.559 -1.533 11451 13124 1 18 . 1 1 29 29 ASP H H 29 8.374 8.374 8.434 -0.060 11451 13125 1 18 . 1 1 30 30 TYR N N 30 118.959 118.959 119.467 -0.508 11451 13126 1 18 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.157 -0.152 11451 13127 1 18 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.209 0.538 11451 13128 1 18 . 1 1 30 30 TYR CB C 30 37.739 37.739 37.518 0.221 11451 13129 1 18 . 1 1 30 30 TYR H H 30 7.287 7.287 7.751 -0.464 11451 13130 1 18 . 1 1 31 31 CYS N N 31 116.202 116.202 117.871 -1.669 11451 13131 1 18 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.192 -0.158 11451 13132 1 18 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.623 0.780 11451 13133 1 18 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.501 -0.280 11451 13134 1 18 . 1 1 31 31 CYS H H 31 8.336 8.336 8.095 0.241 11451 13135 1 18 . 1 1 32 32 ARG N N 32 121.949 121.949 120.249 1.700 11451 13136 1 18 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.141 -0.279 11451 13137 1 18 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.577 1.142 11451 13138 1 18 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.096 0.278 11451 13139 1 18 . 1 1 32 32 ARG H H 32 9.077 9.077 8.200 0.877 11451 13140 1 18 . 1 1 33 33 GLU N N 33 116.667 116.667 116.529 0.138 11451 13141 1 18 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.340 -0.153 11451 13142 1 18 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.545 -0.097 11451 13143 1 18 . 1 1 33 33 GLU CB C 33 29.258 29.258 30.149 -0.891 11451 13144 1 18 . 1 1 33 33 GLU H H 33 7.920 7.920 7.802 0.118 11451 13145 1 18 . 1 1 34 34 GLY N N 34 107.273 107.273 107.017 0.256 11451 13146 1 18 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.291 0.107 11451 13147 1 18 . 1 1 34 34 GLY H H 34 7.533 7.533 7.982 -0.449 11451 13148 1 18 . 1 1 35 35 PHE N N 35 122.134 122.134 118.897 3.237 11451 13149 1 18 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.145 -0.480 11451 13150 1 18 . 1 1 35 35 PHE CA C 35 61.605 61.605 60.875 0.730 11451 13151 1 18 . 1 1 35 35 PHE CB C 35 40.070 40.070 40.135 -0.065 11451 13152 1 18 . 1 1 35 35 PHE H H 35 8.129 8.129 8.246 -0.117 11451 13153 1 18 . 1 1 36 36 TYR N N 36 111.250 111.250 114.889 -3.639 11451 13154 1 18 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.135 0.189 11451 13155 1 18 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.900 -1.222 11451 13156 1 18 . 1 1 36 36 TYR CB C 36 37.460 37.460 37.922 -0.462 11451 13157 1 18 . 1 1 36 36 TYR H H 36 7.355 7.355 7.724 -0.369 11451 13158 1 18 . 1 1 37 37 ASN N N 37 121.890 121.890 118.723 3.167 11451 13159 1 18 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.386 -0.561 11451 13160 1 18 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.368 -0.189 11451 13161 1 18 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.435 -2.580 11451 13162 1 18 . 1 1 37 37 ASN H H 37 7.106 7.106 7.780 -0.674 11451 13163 1 18 . 1 1 38 38 ASN N N 38 121.572 121.572 121.834 -0.262 11451 13164 1 18 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.408 -0.360 11451 13165 1 18 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.544 0.176 11451 13166 1 18 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.671 0.867 11451 13167 1 18 . 1 1 38 38 ASN H H 38 9.235 9.235 8.566 0.669 11451 13168 1 18 . 1 1 39 39 THR N N 39 104.540 104.540 107.445 -2.905 11451 13169 1 18 . 1 1 39 39 THR HA H 39 5.006 5.006 5.296 -0.290 11451 13170 1 18 . 1 1 39 39 THR CA C 39 59.979 59.979 60.009 -0.030 11451 13171 1 18 . 1 1 39 39 THR CB C 39 72.789 72.789 71.329 1.460 11451 13172 1 18 . 1 1 39 39 THR H H 39 7.328 7.328 7.442 -0.114 11451 13173 1 18 . 1 1 40 40 ILE N N 40 108.904 108.904 114.715 -5.811 11451 13174 1 18 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.159 0.510 11451 13175 1 18 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.343 0.457 11451 13176 1 18 . 1 1 40 40 ILE CB C 40 39.724 39.724 41.921 -2.197 11451 13177 1 18 . 1 1 40 40 ILE H H 40 7.943 7.943 8.335 -0.392 11451 13178 1 18 . 1 1 41 41 PHE N N 41 122.068 122.068 122.495 -0.427 11451 13179 1 18 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.661 0.299 11451 13180 1 18 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.668 1.149 11451 13181 1 18 . 1 1 41 41 PHE CB C 41 37.410 37.410 37.526 -0.116 11451 13182 1 18 . 1 1 41 41 PHE H H 41 8.289 8.289 8.736 -0.447 11451 13183 1 18 . 1 1 42 42 HIS N N 42 121.477 121.477 118.932 2.545 11451 13184 1 18 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.444 -0.168 11451 13185 1 18 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.776 -0.179 11451 13186 1 18 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.153 1.510 11451 13187 1 18 . 1 1 42 42 HIS H H 42 7.862 7.862 7.867 -0.005 11451 13188 1 18 . 1 1 43 43 ARG N N 43 123.403 123.403 116.822 6.581 11451 13189 1 18 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.669 -0.053 11451 13190 1 18 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.809 0.509 11451 13191 1 18 . 1 1 43 43 ARG CB C 43 32.275 32.275 34.072 -1.797 11451 13192 1 18 . 1 1 43 43 ARG H H 43 6.933 6.933 7.286 -0.353 11451 13193 1 18 . 1 1 44 44 VAL N N 44 129.359 129.359 122.325 7.034 11451 13194 1 18 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.399 -0.259 11451 13195 1 18 . 1 1 44 44 VAL CA C 44 62.374 62.374 60.579 1.795 11451 13196 1 18 . 1 1 44 44 VAL CB C 44 35.191 35.191 34.587 0.604 11451 13197 1 18 . 1 1 44 44 VAL H H 44 9.023 9.023 8.534 0.489 11451 13198 1 18 . 1 1 45 45 ILE N N 45 126.532 126.532 126.216 0.316 11451 13199 1 18 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.456 -0.220 11451 13200 1 18 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.874 0.590 11451 13201 1 18 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.927 -1.977 11451 13202 1 18 . 1 1 45 45 ILE H H 45 8.243 8.243 8.111 0.132 11451 13203 1 18 . 1 1 46 46 ASN N N 46 128.015 128.015 127.124 0.891 11451 13204 1 18 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.562 -0.401 11451 13205 1 18 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.372 -0.031 11451 13206 1 18 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.699 -2.025 11451 13207 1 18 . 1 1 46 46 ASN H H 46 9.127 9.127 8.759 0.368 11451 13208 1 18 . 1 1 47 47 GLY N N 47 110.314 110.314 108.064 2.250 11451 13209 1 18 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.509 0.121 11451 13210 1 18 . 1 1 47 47 GLY H H 47 7.542 7.542 8.926 -1.384 11451 13211 1 18 . 1 1 48 48 PHE N N 48 116.701 116.701 118.576 -1.875 11451 13212 1 18 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.809 0.333 11451 13213 1 18 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.253 1.247 11451 13214 1 18 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.156 -2.828 11451 13215 1 18 . 1 1 48 48 PHE H H 48 7.800 7.800 7.595 0.205 11451 13216 1 18 . 1 1 49 49 MET N N 49 117.710 117.710 117.974 -0.264 11451 13217 1 18 . 1 1 49 49 MET HA H 49 5.027 5.027 4.581 0.446 11451 13218 1 18 . 1 1 49 49 MET CA C 49 55.009 55.009 53.246 1.763 11451 13219 1 18 . 1 1 49 49 MET CB C 49 35.120 35.120 33.520 1.600 11451 13220 1 18 . 1 1 49 49 MET H H 49 8.363 8.363 7.070 1.293 11451 13221 1 18 . 1 1 50 50 ILE N N 50 110.774 110.774 113.285 -2.511 11451 13222 1 18 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.830 0.037 11451 13223 1 18 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.291 0.444 11451 13224 1 18 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.887 -0.626 11451 13225 1 18 . 1 1 50 50 ILE H H 50 7.749 7.749 7.651 0.098 11451 13226 1 18 . 1 1 51 51 GLN N N 51 127.997 127.997 124.470 3.527 11451 13227 1 18 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.005 0.196 11451 13228 1 18 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.808 0.244 11451 13229 1 18 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.764 -1.080 11451 13230 1 18 . 1 1 51 51 GLN H H 51 9.198 9.198 8.270 0.928 11451 13231 1 18 . 1 1 52 52 GLY N N 52 111.413 111.413 107.922 3.491 11451 13232 1 18 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.120 1.173 11451 13233 1 18 . 1 1 52 52 GLY H H 52 8.037 8.037 8.526 -0.489 11451 13234 1 18 . 1 1 53 53 GLY N N 53 106.177 106.177 107.608 -1.431 11451 13235 1 18 . 1 1 53 53 GLY CA C 53 46.077 46.077 45.874 0.203 11451 13236 1 18 . 1 1 53 53 GLY H H 53 8.334 8.334 8.298 0.036 11451 13237 1 18 . 1 1 54 54 GLY N N 54 129.939 129.939 106.418 23.521 11451 13238 1 18 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.553 -0.141 11451 13239 1 18 . 1 1 54 54 GLY H H 54 9.068 9.068 7.764 1.304 11451 13240 1 18 . 1 1 55 55 PHE N N 55 121.195 121.195 116.550 4.645 11451 13241 1 18 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.118 -0.231 11451 13242 1 18 . 1 1 55 55 PHE CA C 55 56.698 56.698 55.962 0.736 11451 13243 1 18 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.540 -0.694 11451 13244 1 18 . 1 1 55 55 PHE H H 55 9.329 9.329 7.331 1.998 11451 13245 1 18 . 1 1 56 56 GLU N N 56 120.126 120.126 120.205 -0.079 11451 13246 1 18 . 1 1 56 56 GLU HA H 56 4.848 4.848 4.997 -0.149 11451 13247 1 18 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.871 0.328 11451 13248 1 18 . 1 1 56 56 GLU CB C 56 29.452 29.452 29.813 -0.361 11451 13249 1 18 . 1 1 56 56 GLU H H 56 8.531 8.531 8.362 0.169 11451 13250 1 18 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.354 -0.364 11451 13251 1 18 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.037 0.826 11451 13252 1 18 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.703 -0.835 11451 13253 1 18 . 1 1 58 58 GLY N N 58 113.477 113.477 104.148 9.329 11451 13254 1 18 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.242 0.124 11451 13255 1 18 . 1 1 58 58 GLY H H 58 9.454 9.454 7.943 1.511 11451 13256 1 18 . 1 1 59 59 MET N N 59 114.007 114.007 116.732 -2.725 11451 13257 1 18 . 1 1 59 59 MET HA H 59 3.946 3.946 3.913 0.033 11451 13258 1 18 . 1 1 59 59 MET CA C 59 54.650 54.650 56.322 -1.672 11451 13259 1 18 . 1 1 59 59 MET CB C 59 25.875 25.875 29.423 -3.548 11451 13260 1 18 . 1 1 59 59 MET H H 59 8.027 8.027 7.972 0.055 11451 13261 1 18 . 1 1 60 60 LYS N N 60 120.420 120.420 120.294 0.126 11451 13262 1 18 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.530 -0.064 11451 13263 1 18 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.594 -0.636 11451 13264 1 18 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.224 -0.914 11451 13265 1 18 . 1 1 60 60 LYS H H 60 6.996 6.996 7.630 -0.634 11451 13266 1 18 . 1 1 61 61 GLN N N 61 130.250 130.250 125.801 4.449 11451 13267 1 18 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.159 -0.773 11451 13268 1 18 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.612 0.167 11451 13269 1 18 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.436 -0.995 11451 13270 1 18 . 1 1 61 61 GLN H H 61 8.965 8.965 8.778 0.187 11451 13271 1 18 . 1 1 62 62 LYS N N 62 126.196 126.196 126.048 0.148 11451 13272 1 18 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.283 -0.153 11451 13273 1 18 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.795 0.895 11451 13274 1 18 . 1 1 62 62 LYS CB C 62 32.772 32.772 33.157 -0.385 11451 13275 1 18 . 1 1 62 62 LYS H H 62 7.323 7.323 7.732 -0.409 11451 13276 1 18 . 1 1 63 63 ALA N N 63 127.588 127.588 124.046 3.542 11451 13277 1 18 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.514 -0.230 11451 13278 1 18 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.685 0.960 11451 13279 1 18 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.353 1.020 11451 13280 1 18 . 1 1 63 63 ALA H H 63 8.458 8.458 8.675 -0.217 11451 13281 1 18 . 1 1 64 64 THR N N 64 111.370 111.370 113.240 -1.870 11451 13282 1 18 . 1 1 64 64 THR HA H 64 4.550 4.550 3.975 0.575 11451 13283 1 18 . 1 1 64 64 THR CA C 64 60.554 60.554 62.691 -2.138 11451 13284 1 18 . 1 1 64 64 THR CB C 64 71.700 71.700 69.270 2.430 11451 13285 1 18 . 1 1 64 64 THR H H 64 8.122 8.122 7.671 0.451 11451 13286 1 18 . 1 1 65 65 LYS N N 65 118.451 118.451 126.034 -7.583 11451 13287 1 18 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.481 -0.062 11451 13288 1 18 . 1 1 65 65 LYS CA C 65 55.346 55.346 54.694 0.652 11451 13289 1 18 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.297 -2.815 11451 13290 1 18 . 1 1 65 65 LYS H H 65 7.879 7.879 8.235 -0.356 11451 13291 1 18 . 1 1 66 66 GLU N N 66 118.805 118.805 119.093 -0.288 11451 13292 1 18 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.108 0.049 11451 13293 1 18 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.518 -0.636 11451 13294 1 18 . 1 1 66 66 GLU CB C 66 28.350 28.350 27.879 0.471 11451 13295 1 18 . 1 1 66 66 GLU H H 66 7.872 7.872 8.529 -0.657 11451 13296 1 18 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.339 0.515 11451 13297 1 18 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.539 -1.384 11451 13298 1 18 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.035 0.655 11451 13299 1 18 . 1 1 68 68 ILE N N 68 112.686 112.686 120.824 -8.138 11451 13300 1 18 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.471 -0.034 11451 13301 1 18 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.263 -0.291 11451 13302 1 18 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.188 1.337 11451 13303 1 18 . 1 1 68 68 ILE H H 68 8.235 8.235 8.000 0.235 11451 13304 1 18 . 1 1 69 69 LYS N N 69 121.199 121.199 123.492 -2.293 11451 13305 1 18 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.600 -0.659 11451 13306 1 18 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.639 -0.579 11451 13307 1 18 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.986 -0.846 11451 13308 1 18 . 1 1 69 69 LYS H H 69 7.849 7.849 8.417 -0.568 11451 13309 1 18 . 1 1 70 70 ASN N N 70 126.585 126.585 120.341 6.244 11451 13310 1 18 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.762 -0.540 11451 13311 1 18 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.531 -0.203 11451 13312 1 18 . 1 1 70 70 ASN CB C 70 37.137 37.137 39.024 -1.887 11451 13313 1 18 . 1 1 70 70 ASN H H 70 10.816 10.816 8.869 1.947 11451 13314 1 18 . 1 1 71 71 GLU N N 71 126.223 126.223 125.211 1.012 11451 13315 1 18 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.560 0.093 11451 13316 1 18 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.585 -0.988 11451 13317 1 18 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.543 0.237 11451 13318 1 18 . 1 1 71 71 GLU H H 71 8.202 8.202 8.922 -0.720 11451 13319 1 18 . 1 1 72 72 ALA N N 72 120.736 120.736 123.386 -2.650 11451 13320 1 18 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.186 0.046 11451 13321 1 18 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.765 0.355 11451 13322 1 18 . 1 1 72 72 ALA CB C 72 18.506 18.506 18.970 -0.464 11451 13323 1 18 . 1 1 72 72 ALA H H 72 9.149 9.149 8.620 0.529 11451 13324 1 18 . 1 1 73 73 ASN N N 73 114.744 114.744 116.086 -1.342 11451 13325 1 18 . 1 1 73 73 ASN HA H 73 3.181 3.181 3.229 -0.048 11451 13326 1 18 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.924 -1.593 11451 13327 1 18 . 1 1 73 73 ASN CB C 73 34.676 34.676 37.478 -2.802 11451 13328 1 18 . 1 1 73 73 ASN H H 73 7.892 7.892 8.379 -0.487 11451 13329 1 18 . 1 1 74 74 ASN N N 74 119.796 119.796 117.745 2.051 11451 13330 1 18 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.518 -0.139 11451 13331 1 18 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.117 -0.351 11451 13332 1 18 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.005 0.410 11451 13333 1 18 . 1 1 74 74 ASN H H 74 8.408 8.408 7.628 0.780 11451 13334 1 18 . 1 1 75 75 GLY N N 75 108.891 108.891 107.915 0.976 11451 13335 1 18 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.236 0.391 11451 13336 1 18 . 1 1 75 75 GLY H H 75 7.971 7.971 7.686 0.285 11451 13337 1 18 . 1 1 76 76 LEU N N 76 120.602 120.602 119.728 0.874 11451 13338 1 18 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.316 -0.005 11451 13339 1 18 . 1 1 76 76 LEU CA C 76 54.599 54.599 55.019 -0.420 11451 13340 1 18 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.702 -1.614 11451 13341 1 18 . 1 1 76 76 LEU H H 76 7.734 7.734 8.078 -0.344 11451 13342 1 18 . 1 1 77 77 LYS N N 77 121.982 121.982 119.170 2.812 11451 13343 1 18 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.780 -0.330 11451 13344 1 18 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.803 0.198 11451 13345 1 18 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.602 -0.902 11451 13346 1 18 . 1 1 77 77 LYS H H 77 8.161 8.161 8.210 -0.049 11451 13347 1 18 . 1 1 78 78 ASN N N 78 124.764 124.764 123.035 1.729 11451 13348 1 18 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.034 -0.367 11451 13349 1 18 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.281 1.034 11451 13350 1 18 . 1 1 78 78 ASN CB C 78 37.130 37.130 39.185 -2.055 11451 13351 1 18 . 1 1 78 78 ASN H H 78 9.564 9.564 9.362 0.202 11451 13352 1 18 . 1 1 79 79 THR N N 79 114.955 114.955 112.934 2.021 11451 13353 1 18 . 1 1 79 79 THR HA H 79 4.263 4.263 4.899 -0.636 11451 13354 1 18 . 1 1 79 79 THR CA C 79 60.774 60.774 59.539 1.235 11451 13355 1 18 . 1 1 79 79 THR CB C 79 70.347 70.347 71.829 -1.482 11451 13356 1 18 . 1 1 79 79 THR H H 79 8.190 8.190 8.413 -0.223 11451 13357 1 18 . 1 1 80 80 ARG N N 80 124.080 124.080 122.564 1.516 11451 13358 1 18 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.954 -0.751 11451 13359 1 18 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.732 0.755 11451 13360 1 18 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.569 -0.660 11451 13361 1 18 . 1 1 80 80 ARG H H 80 9.203 9.203 8.752 0.451 11451 13362 1 18 . 1 1 81 81 GLY N N 81 115.741 115.741 113.721 2.020 11451 13363 1 18 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.119 -0.048 11451 13364 1 18 . 1 1 81 81 GLY H H 81 8.976 8.976 9.215 -0.239 11451 13365 1 18 . 1 1 82 82 THR N N 82 110.362 110.362 110.596 -0.234 11451 13366 1 18 . 1 1 82 82 THR HA H 82 4.623 4.623 4.649 -0.026 11451 13367 1 18 . 1 1 82 82 THR CA C 82 61.694 61.694 59.410 2.284 11451 13368 1 18 . 1 1 82 82 THR CB C 82 72.230 72.230 71.560 0.670 11451 13369 1 18 . 1 1 82 82 THR H H 82 8.070 8.070 7.591 0.479 11451 13370 1 18 . 1 1 83 83 LEU N N 83 121.341 121.341 122.432 -1.091 11451 13371 1 18 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.327 -0.108 11451 13372 1 18 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.837 0.512 11451 13373 1 18 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.925 -2.406 11451 13374 1 18 . 1 1 83 83 LEU H H 83 7.918 7.918 8.379 -0.461 11451 13375 1 18 . 1 1 84 84 ALA N N 84 121.663 121.663 123.720 -2.057 11451 13376 1 18 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.272 0.245 11451 13377 1 18 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.772 -0.703 11451 13378 1 18 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.697 1.288 11451 13379 1 18 . 1 1 84 84 ALA H H 84 8.053 8.053 7.898 0.155 11451 13380 1 18 . 1 1 85 85 MET N N 85 115.338 115.338 119.810 -4.472 11451 13381 1 18 . 1 1 85 85 MET HA H 85 5.241 5.241 4.723 0.518 11451 13382 1 18 . 1 1 85 85 MET CA C 85 52.707 52.707 55.350 -2.643 11451 13383 1 18 . 1 1 85 85 MET CB C 85 29.801 29.801 33.776 -3.975 11451 13384 1 18 . 1 1 85 85 MET H H 85 7.539 7.539 8.079 -0.540 11451 13385 1 18 . 1 1 86 86 ALA N N 86 126.558 126.558 127.077 -0.519 11451 13386 1 18 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.686 -0.003 11451 13387 1 18 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.227 -0.020 11451 13388 1 18 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.424 -1.008 11451 13389 1 18 . 1 1 86 86 ALA H H 86 8.287 8.287 8.766 -0.479 11451 13390 1 18 . 1 1 87 87 ARG N N 87 113.623 113.623 120.858 -7.235 11451 13391 1 18 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.752 -0.118 11451 13392 1 18 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.746 0.022 11451 13393 1 18 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.141 -2.419 11451 13394 1 18 . 1 1 87 87 ARG H H 87 8.031 8.031 8.736 -0.705 11451 13395 1 18 . 1 1 88 88 THR N N 88 111.627 111.627 116.163 -4.536 11451 13396 1 18 . 1 1 88 88 THR HA H 88 4.624 4.624 4.301 0.323 11451 13397 1 18 . 1 1 88 88 THR CA C 88 60.554 60.554 64.851 -4.297 11451 13398 1 18 . 1 1 88 88 THR CB C 88 68.430 68.430 69.689 -1.259 11451 13399 1 18 . 1 1 88 88 THR H H 88 7.892 7.892 8.556 -0.664 11451 13400 1 18 . 1 1 89 89 GLN N N 89 117.361 117.361 117.753 -0.392 11451 13401 1 18 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.408 -0.557 11451 13402 1 18 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.449 2.462 11451 13403 1 18 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.220 -1.850 11451 13404 1 18 . 1 1 89 89 GLN H H 89 8.188 8.188 8.086 0.102 11451 13405 1 18 . 1 1 90 90 ALA N N 90 122.998 122.998 124.068 -1.070 11451 13406 1 18 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.649 -0.303 11451 13407 1 18 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.799 -1.073 11451 13408 1 18 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.953 -0.779 11451 13409 1 18 . 1 1 90 90 ALA H H 90 7.962 7.962 8.053 -0.091 11451 13410 1 18 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.940 -0.472 11451 13411 1 18 . 1 1 91 91 PRO CA C 91 65.437 65.437 63.919 1.518 11451 13412 1 18 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.584 -1.615 11451 13413 1 18 . 1 1 92 92 HIS N N 92 118.470 118.470 114.896 3.574 11451 13414 1 18 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.967 -0.143 11451 13415 1 18 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.096 -0.895 11451 13416 1 18 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.311 -1.002 11451 13417 1 18 . 1 1 92 92 HIS H H 92 7.977 7.977 8.001 -0.024 11451 13418 1 18 . 1 1 93 93 SER N N 93 108.425 108.425 114.865 -6.440 11451 13419 1 18 . 1 1 93 93 SER HA H 93 4.380 4.380 4.659 -0.279 11451 13420 1 18 . 1 1 93 93 SER CA C 93 57.696 57.696 57.848 -0.152 11451 13421 1 18 . 1 1 93 93 SER CB C 93 65.924 65.924 63.730 2.194 11451 13422 1 18 . 1 1 93 93 SER H H 93 6.374 6.374 7.953 -1.579 11451 13423 1 18 . 1 1 94 94 ALA N N 94 130.109 130.109 127.019 3.090 11451 13424 1 18 . 1 1 94 94 ALA HA H 94 4.276 4.276 4.879 -0.603 11451 13425 1 18 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.788 2.385 11451 13426 1 18 . 1 1 94 94 ALA CB C 94 20.366 20.366 17.510 2.856 11451 13427 1 18 . 1 1 94 94 ALA H H 94 8.543 8.543 7.563 0.980 11451 13428 1 18 . 1 1 95 95 THR N N 95 110.794 110.794 111.531 -0.737 11451 13429 1 18 . 1 1 95 95 THR HA H 95 4.722 4.722 4.144 0.578 11451 13430 1 18 . 1 1 95 95 THR CA C 95 59.725 59.725 64.924 -5.199 11451 13431 1 18 . 1 1 95 95 THR CB C 95 70.157 70.157 69.542 0.615 11451 13432 1 18 . 1 1 95 95 THR H H 95 8.925 8.925 8.027 0.898 11451 13433 1 18 . 1 1 96 96 ALA N N 96 121.615 121.615 120.587 1.028 11451 13434 1 18 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.780 -0.353 11451 13435 1 18 . 1 1 96 96 ALA CA C 96 51.536 51.536 52.152 -0.616 11451 13436 1 18 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.985 3.231 11451 13437 1 18 . 1 1 96 96 ALA H H 96 7.954 7.954 8.475 -0.521 11451 13438 1 18 . 1 1 97 97 GLN N N 97 115.548 115.548 120.216 -4.668 11451 13439 1 18 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.936 -0.307 11451 13440 1 18 . 1 1 97 97 GLN CA C 97 57.388 57.388 56.774 0.614 11451 13441 1 18 . 1 1 97 97 GLN CB C 97 30.757 30.757 29.450 1.307 11451 13442 1 18 . 1 1 97 97 GLN H H 97 7.866 7.866 8.202 -0.336 11451 13443 1 18 . 1 1 98 98 PHE N N 98 117.593 117.593 119.098 -1.505 11451 13444 1 18 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.620 0.168 11451 13445 1 18 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.571 -0.916 11451 13446 1 18 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.303 -0.078 11451 13447 1 18 . 1 1 98 98 PHE H H 98 7.623 7.623 8.388 -0.765 11451 13448 1 18 . 1 1 99 99 PHE N N 99 116.226 116.226 114.214 2.012 11451 13449 1 18 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.238 0.494 11451 13450 1 18 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.755 -0.706 11451 13451 1 18 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.132 1.888 11451 13452 1 18 . 1 1 99 99 PHE H H 99 9.518 9.518 8.552 0.966 11451 13453 1 18 . 1 1 100 100 ILE N N 100 117.687 117.687 120.389 -2.702 11451 13454 1 18 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.786 0.041 11451 13455 1 18 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.145 -0.796 11451 13456 1 18 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.509 0.160 11451 13457 1 18 . 1 1 100 100 ILE H H 100 9.136 9.136 8.568 0.568 11451 13458 1 18 . 1 1 101 101 ASN N N 101 126.524 126.524 128.237 -1.713 11451 13459 1 18 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.741 -0.282 11451 13460 1 18 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.336 2.397 11451 13461 1 18 . 1 1 101 101 ASN CB C 101 39.926 39.926 37.737 2.189 11451 13462 1 18 . 1 1 101 101 ASN H H 101 8.877 8.877 9.229 -0.352 11451 13463 1 18 . 1 1 102 102 VAL N N 102 117.660 117.660 124.384 -6.724 11451 13464 1 18 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.921 0.490 11451 13465 1 18 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.880 -1.974 11451 13466 1 18 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.787 -2.417 11451 13467 1 18 . 1 1 102 102 VAL H H 102 7.700 7.700 7.653 0.047 11451 13468 1 18 . 1 1 103 103 VAL N N 103 116.637 116.637 111.151 5.486 11451 13469 1 18 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.461 -0.108 11451 13470 1 18 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.771 0.888 11451 13471 1 18 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.064 1.446 11451 13472 1 18 . 1 1 103 103 VAL H H 103 7.753 7.753 7.031 0.722 11451 13473 1 18 . 1 1 104 104 ASP N N 104 118.510 118.510 121.947 -3.437 11451 13474 1 18 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.646 -0.391 11451 13475 1 18 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.022 0.478 11451 13476 1 18 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.379 -2.291 11451 13477 1 18 . 1 1 104 104 ASP H H 104 8.171 8.171 8.513 -0.342 11451 13478 1 18 . 1 1 105 105 ASN N N 105 128.132 128.132 124.821 3.311 11451 13479 1 18 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.813 0.266 11451 13480 1 18 . 1 1 105 105 ASN CA C 105 51.529 51.529 51.552 -0.023 11451 13481 1 18 . 1 1 105 105 ASN CB C 105 39.135 39.135 38.758 0.377 11451 13482 1 18 . 1 1 105 105 ASN H H 105 8.352 8.352 8.109 0.243 11451 13483 1 18 . 1 1 106 106 ASP N N 106 121.636 121.636 122.577 -0.941 11451 13484 1 18 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.248 0.023 11451 13485 1 18 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.913 -1.126 11451 13486 1 18 . 1 1 106 106 ASP CB C 106 39.805 39.805 41.059 -1.254 11451 13487 1 18 . 1 1 106 106 ASP H H 106 8.203 8.203 8.854 -0.651 11451 13488 1 18 . 1 1 107 107 PHE N N 107 114.525 114.525 114.778 -0.253 11451 13489 1 18 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.364 0.134 11451 13490 1 18 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.208 -1.813 11451 13491 1 18 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.077 -1.297 11451 13492 1 18 . 1 1 107 107 PHE H H 107 7.388 7.388 7.846 -0.458 11451 13493 1 18 . 1 1 108 108 LEU N N 108 121.576 121.576 118.373 3.203 11451 13494 1 18 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.450 0.016 11451 13495 1 18 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.408 -0.930 11451 13496 1 18 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.254 0.845 11451 13497 1 18 . 1 1 108 108 LEU H H 108 7.163 7.163 7.499 -0.336 11451 13498 1 18 . 1 1 109 109 ASN N N 109 116.121 116.121 117.891 -1.770 11451 13499 1 18 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.947 0.202 11451 13500 1 18 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.240 -0.270 11451 13501 1 18 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.188 -1.069 11451 13502 1 18 . 1 1 109 109 ASN H H 109 7.312 7.312 7.841 -0.529 11451 13503 1 18 . 1 1 110 110 PHE N N 110 124.182 124.182 119.792 4.390 11451 13504 1 18 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.668 -0.416 11451 13505 1 18 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.279 -0.224 11451 13506 1 18 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.558 -0.765 11451 13507 1 18 . 1 1 110 110 PHE H H 110 8.825 8.825 8.812 0.013 11451 13508 1 18 . 1 1 111 111 SER N N 111 122.136 122.136 118.369 3.767 11451 13509 1 18 . 1 1 111 111 SER HA H 111 4.179 4.179 4.476 -0.297 11451 13510 1 18 . 1 1 111 111 SER CA C 111 57.521 57.521 57.749 -0.229 11451 13511 1 18 . 1 1 111 111 SER CB C 111 64.617 64.617 63.715 0.902 11451 13512 1 18 . 1 1 111 111 SER H H 111 9.456 9.456 7.410 2.046 11451 13513 1 18 . 1 1 112 112 GLY N N 112 110.435 110.435 108.211 2.224 11451 13514 1 18 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.961 0.417 11451 13515 1 18 . 1 1 112 112 GLY H H 112 5.514 5.514 7.197 -1.683 11451 13516 1 18 . 1 1 113 113 GLU N N 113 118.926 118.926 117.016 1.910 11451 13517 1 18 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.643 -0.996 11451 13518 1 18 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.213 -2.243 11451 13519 1 18 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.434 -2.771 11451 13520 1 18 . 1 1 113 113 GLU H H 113 7.862 7.862 7.893 -0.031 11451 13521 1 18 . 1 1 114 114 SER N N 114 119.323 119.323 113.950 5.373 11451 13522 1 18 . 1 1 114 114 SER HA H 114 4.625 4.625 4.785 -0.160 11451 13523 1 18 . 1 1 114 114 SER CA C 114 56.279 56.279 55.857 0.422 11451 13524 1 18 . 1 1 114 114 SER H H 114 7.621 7.621 7.686 -0.065 11451 13525 1 18 . 1 1 115 115 LEU N N 115 122.373 122.373 127.521 -5.148 11451 13526 1 18 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.129 -0.012 11451 13527 1 18 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.093 1.867 11451 13528 1 18 . 1 1 115 115 LEU CB C 115 41.125 41.125 42.031 -0.906 11451 13529 1 18 . 1 1 115 115 LEU H H 115 8.745 8.745 8.983 -0.238 11451 13530 1 18 . 1 1 116 116 GLN N N 116 114.490 114.490 116.454 -1.964 11451 13531 1 18 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.354 -0.092 11451 13532 1 18 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.281 0.846 11451 13533 1 18 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.886 -0.689 11451 13534 1 18 . 1 1 116 116 GLN H H 116 8.292 8.292 8.071 0.221 11451 13535 1 18 . 1 1 117 117 GLY N N 117 109.729 109.729 108.329 1.400 11451 13536 1 18 . 1 1 117 117 GLY CA C 117 45.541 45.541 45.173 0.368 11451 13537 1 18 . 1 1 117 117 GLY H H 117 7.832 7.832 8.299 -0.467 11451 13538 1 18 . 1 1 118 118 TRP N N 118 123.807 123.807 123.328 0.479 11451 13539 1 18 . 1 1 118 118 TRP HA H 118 4.314 4.314 5.185 -0.871 11451 13540 1 18 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.288 8.006 11451 13541 1 18 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.500 1.667 11451 13542 1 18 . 1 1 118 118 TRP H H 118 7.801 7.801 7.829 -0.028 11451 13543 1 18 . 1 1 119 119 GLY N N 119 124.815 124.815 110.421 14.394 11451 13544 1 18 . 1 1 119 119 GLY CA C 119 45.319 45.319 44.995 0.324 11451 13545 1 18 . 1 1 119 119 GLY H H 119 7.438 7.438 8.607 -1.169 11451 13546 1 18 . 1 1 120 120 TYR N N 120 119.720 119.720 118.169 1.551 11451 13547 1 18 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.055 0.147 11451 13548 1 18 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.056 0.263 11451 13549 1 18 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.723 -2.984 11451 13550 1 18 . 1 1 120 120 TYR H H 120 8.281 8.281 8.593 -0.312 11451 13551 1 18 . 1 1 121 121 CYS N N 121 126.117 126.117 122.195 3.922 11451 13552 1 18 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.765 -0.526 11451 13553 1 18 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.257 1.440 11451 13554 1 18 . 1 1 121 121 CYS CB C 121 28.010 28.010 29.693 -1.683 11451 13555 1 18 . 1 1 121 121 CYS H H 121 9.818 9.818 9.178 0.640 11451 13556 1 18 . 1 1 122 122 VAL N N 122 106.168 106.168 129.489 -23.321 11451 13557 1 18 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.228 0.335 11451 13558 1 18 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.055 -0.405 11451 13559 1 18 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.215 1.264 11451 13560 1 18 . 1 1 122 122 VAL H H 122 9.382 9.382 9.000 0.382 11451 13561 1 18 . 1 1 123 123 PHE N N 123 118.398 118.398 125.398 -7.000 11451 13562 1 18 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.577 0.284 11451 13563 1 18 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.681 -2.742 11451 13564 1 18 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.663 1.977 11451 13565 1 18 . 1 1 123 123 PHE H H 123 7.842 7.842 8.327 -0.485 11451 13566 1 18 . 1 1 124 124 ALA N N 124 124.412 124.412 118.504 5.908 11451 13567 1 18 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.616 0.034 11451 13568 1 18 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.491 0.268 11451 13569 1 18 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.670 1.965 11451 13570 1 18 . 1 1 124 124 ALA H H 124 7.327 7.327 7.003 0.324 11451 13571 1 18 . 1 1 125 125 GLU N N 125 115.272 115.272 117.945 -2.673 11451 13572 1 18 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.689 0.082 11451 13573 1 18 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.017 0.634 11451 13574 1 18 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.505 -0.735 11451 13575 1 18 . 1 1 125 125 GLU H H 125 8.223 8.223 8.080 0.143 11451 13576 1 18 . 1 1 126 126 VAL N N 126 123.948 123.948 121.250 2.698 11451 13577 1 18 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.922 -0.013 11451 13578 1 18 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.422 -0.157 11451 13579 1 18 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.465 -0.655 11451 13580 1 18 . 1 1 126 126 VAL H H 126 8.786 8.786 8.293 0.493 11451 13581 1 18 . 1 1 127 127 VAL N N 127 123.644 123.644 126.609 -2.965 11451 13582 1 18 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.235 0.115 11451 13583 1 18 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.334 -1.840 11451 13584 1 18 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.932 -0.450 11451 13585 1 18 . 1 1 127 127 VAL H H 127 9.096 9.096 8.928 0.168 11451 13586 1 18 . 1 1 128 128 ASP N N 128 121.165 121.165 119.106 2.059 11451 13587 1 18 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.816 0.106 11451 13588 1 18 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.905 0.496 11451 13589 1 18 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.335 -1.286 11451 13590 1 18 . 1 1 128 128 ASP H H 128 7.719 7.719 7.730 -0.011 11451 13591 1 18 . 1 1 129 129 GLY N N 129 110.821 110.821 108.707 2.114 11451 13592 1 18 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.617 0.144 11451 13593 1 18 . 1 1 129 129 GLY H H 129 8.276 8.276 8.913 -0.637 11451 13594 1 18 . 1 1 130 130 MET N N 130 122.991 122.991 120.669 2.322 11451 13595 1 18 . 1 1 130 130 MET HA H 130 4.468 4.468 4.240 0.228 11451 13596 1 18 . 1 1 130 130 MET CA C 130 55.953 55.953 56.949 -0.996 11451 13597 1 18 . 1 1 130 130 MET CB C 130 28.771 28.771 31.196 -2.425 11451 13598 1 18 . 1 1 130 130 MET H H 130 8.945 8.945 8.436 0.509 11451 13599 1 18 . 1 1 131 131 ASP N N 131 117.183 117.183 118.220 -1.037 11451 13600 1 18 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.430 -0.185 11451 13601 1 18 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.501 -0.862 11451 13602 1 18 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.517 -1.839 11451 13603 1 18 . 1 1 131 131 ASP H H 131 8.924 8.924 8.710 0.214 11451 13604 1 18 . 1 1 132 132 VAL N N 132 124.340 124.340 119.353 4.987 11451 13605 1 18 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.747 -0.308 11451 13606 1 18 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.611 0.404 11451 13607 1 18 . 1 1 132 132 VAL CB C 132 30.781 30.781 32.080 -1.299 11451 13608 1 18 . 1 1 132 132 VAL H H 132 7.222 7.222 7.540 -0.318 11451 13609 1 18 . 1 1 133 133 VAL N N 133 121.730 121.730 120.835 0.895 11451 13610 1 18 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.392 -0.374 11451 13611 1 18 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.692 0.384 11451 13612 1 18 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.479 -0.659 11451 13613 1 18 . 1 1 133 133 VAL H H 133 7.367 7.367 7.732 -0.365 11451 13614 1 18 . 1 1 134 134 ASP N N 134 117.555 117.555 116.945 0.610 11451 13615 1 18 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.378 -0.128 11451 13616 1 18 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.336 -0.073 11451 13617 1 18 . 1 1 134 134 ASP CB C 134 39.812 39.812 40.992 -1.180 11451 13618 1 18 . 1 1 134 134 ASP H H 134 8.411 8.411 8.411 -0.000 11451 13619 1 18 . 1 1 135 135 LYS N N 135 122.646 122.646 118.883 3.763 11451 13620 1 18 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.162 -0.161 11451 13621 1 18 . 1 1 135 135 LYS CA C 135 58.908 58.908 57.885 1.023 11451 13622 1 18 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.194 -0.184 11451 13623 1 18 . 1 1 135 135 LYS H H 135 7.418 7.418 7.203 0.215 11451 13624 1 18 . 1 1 136 136 ILE N N 136 121.613 121.613 118.298 3.315 11451 13625 1 18 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.522 -0.460 11451 13626 1 18 . 1 1 136 136 ILE CA C 136 65.307 65.307 65.418 -0.111 11451 13627 1 18 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.732 -0.433 11451 13628 1 18 . 1 1 136 136 ILE H H 136 8.075 8.075 8.188 -0.113 11451 13629 1 18 . 1 1 137 137 LYS N N 137 113.499 113.499 115.930 -2.431 11451 13630 1 18 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.171 -0.427 11451 13631 1 18 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.756 0.132 11451 13632 1 18 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.049 -0.694 11451 13633 1 18 . 1 1 137 137 LYS H H 137 7.976 7.976 7.534 0.442 11451 13634 1 18 . 1 1 138 138 GLY N N 138 104.829 104.829 106.876 -2.047 11451 13635 1 18 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.264 -1.083 11451 13636 1 18 . 1 1 138 138 GLY H H 138 6.858 6.858 7.625 -0.767 11451 13637 1 18 . 1 1 139 139 VAL N N 139 116.189 116.189 117.194 -1.005 11451 13638 1 18 . 1 1 139 139 VAL HA H 139 4.083 4.083 4.041 0.042 11451 13639 1 18 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.055 -2.311 11451 13640 1 18 . 1 1 139 139 VAL CB C 139 32.850 32.850 32.394 0.456 11451 13641 1 18 . 1 1 139 139 VAL H H 139 7.220 7.220 7.734 -0.514 11451 13642 1 18 . 1 1 140 140 ALA N N 140 123.097 123.097 121.697 1.400 11451 13643 1 18 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.688 -0.406 11451 13644 1 18 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.376 0.474 11451 13645 1 18 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.360 -1.988 11451 13646 1 18 . 1 1 140 140 ALA H H 140 8.262 8.262 7.924 0.338 11451 13647 1 18 . 1 1 141 141 THR N N 141 113.326 113.326 112.399 0.927 11451 13648 1 18 . 1 1 141 141 THR HA H 141 4.925 4.925 4.532 0.393 11451 13649 1 18 . 1 1 141 141 THR CA C 141 59.382 59.382 60.174 -0.792 11451 13650 1 18 . 1 1 141 141 THR CB C 141 73.286 73.286 71.396 1.890 11451 13651 1 18 . 1 1 141 141 THR H H 141 8.278 8.278 8.022 0.256 11451 13652 1 18 . 1 1 142 142 GLY N N 142 107.299 107.299 108.686 -1.387 11451 13653 1 18 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.656 -0.484 11451 13654 1 18 . 1 1 142 142 GLY H H 142 8.484 8.484 8.576 -0.092 11451 13655 1 18 . 1 1 143 143 ARG N N 143 120.230 120.230 122.284 -2.054 11451 13656 1 18 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.199 0.598 11451 13657 1 18 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.260 -1.060 11451 13658 1 18 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.950 0.402 11451 13659 1 18 . 1 1 143 143 ARG H H 143 8.185 8.185 8.372 -0.187 11451 13660 1 18 . 1 1 144 144 SER N N 144 119.429 119.429 119.437 -0.008 11451 13661 1 18 . 1 1 144 144 SER HA H 144 4.466 4.466 4.635 -0.169 11451 13662 1 18 . 1 1 144 144 SER CA C 144 56.856 56.856 57.167 -0.311 11451 13663 1 18 . 1 1 144 144 SER CB C 144 63.174 63.174 65.595 -2.421 11451 13664 1 18 . 1 1 144 144 SER H H 144 8.427 8.427 8.600 -0.173 11451 13665 1 18 . 1 1 145 145 GLY N N 145 117.736 117.736 107.780 9.956 11451 13666 1 18 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.597 0.089 11451 13667 1 18 . 1 1 145 145 GLY H H 145 8.902 8.902 8.940 -0.038 11451 13668 1 18 . 1 1 146 146 MET N N 146 125.723 125.723 118.131 7.592 11451 13669 1 18 . 1 1 146 146 MET HA H 146 4.315 4.315 4.397 -0.082 11451 13670 1 18 . 1 1 146 146 MET CA C 146 55.431 55.431 56.141 -0.710 11451 13671 1 18 . 1 1 146 146 MET H H 146 8.827 8.827 7.429 1.398 11451 13672 1 18 . 1 1 147 147 HIS N N 147 121.581 121.581 116.261 5.320 11451 13673 1 18 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.823 -0.399 11451 13674 1 18 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.324 0.751 11451 13675 1 18 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.440 -0.847 11451 13676 1 18 . 1 1 147 147 HIS H H 147 8.010 8.010 8.132 -0.122 11451 13677 1 18 . 1 1 148 148 GLN N N 148 121.305 121.305 123.604 -2.299 11451 13678 1 18 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.364 0.106 11451 13679 1 18 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.342 -0.878 11451 13680 1 18 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.019 1.672 11451 13681 1 18 . 1 1 148 148 GLN H H 148 8.681 8.681 8.622 0.059 11451 13682 1 18 . 1 1 149 149 ASP N N 149 117.085 117.085 119.032 -1.947 11451 13683 1 18 . 1 1 149 149 ASP CB C 149 39.479 39.479 40.204 -0.725 11451 13684 1 18 . 1 1 149 149 ASP H H 149 8.635 8.635 8.766 -0.131 11451 13685 1 18 . 1 1 150 150 VAL N N 150 120.313 120.313 112.074 8.239 11451 13686 1 18 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.650 -0.271 11451 13687 1 18 . 1 1 150 150 VAL CA C 150 59.168 59.168 57.945 1.223 11451 13688 1 18 . 1 1 150 150 VAL CB C 150 33.080 33.080 34.300 -1.220 11451 13689 1 18 . 1 1 150 150 VAL H H 150 8.470 8.470 7.432 1.038 11451 13690 1 18 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.588 -0.174 11451 13691 1 18 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.881 1.055 11451 13692 1 18 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.682 -0.506 11451 13693 1 18 . 1 1 152 152 LYS N N 152 125.675 125.675 120.260 5.415 11451 13694 1 18 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.254 -0.383 11451 13695 1 18 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.161 1.440 11451 13696 1 18 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.466 -0.681 11451 13697 1 18 . 1 1 152 152 LYS H H 152 8.169 8.169 8.525 -0.356 11451 13698 1 18 . 1 1 153 153 GLU N N 153 119.081 119.081 121.459 -2.378 11451 13699 1 18 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.321 0.074 11451 13700 1 18 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.491 -1.275 11451 13701 1 18 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.610 0.128 11451 13702 1 18 . 1 1 153 153 GLU H H 153 7.960 7.960 8.088 -0.128 11451 13703 1 18 . 1 1 154 154 ASP N N 154 121.884 121.884 122.167 -0.283 11451 13704 1 18 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.590 -0.358 11451 13705 1 18 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.574 2.526 11451 13706 1 18 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.740 -0.200 11451 13707 1 18 . 1 1 154 154 ASP H H 154 8.149 8.149 8.612 -0.463 11451 13708 1 18 . 1 1 155 155 VAL N N 155 129.777 129.777 125.375 4.402 11451 13709 1 18 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.510 -0.071 11451 13710 1 18 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.311 1.000 11451 13711 1 18 . 1 1 155 155 VAL CB C 155 31.469 31.469 30.770 0.699 11451 13712 1 18 . 1 1 155 155 VAL H H 155 10.043 10.043 8.594 1.450 11451 13713 1 18 . 1 1 156 156 ILE N N 156 125.807 125.807 123.899 1.908 11451 13714 1 18 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.268 -0.856 11451 13715 1 18 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.650 2.035 11451 13716 1 18 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.528 0.386 11451 13717 1 18 . 1 1 156 156 ILE H H 156 8.252 8.252 9.226 -0.974 11451 13718 1 18 . 1 1 157 157 ILE N N 157 126.581 126.581 126.449 0.132 11451 13719 1 18 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.177 -0.498 11451 13720 1 18 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.918 0.587 11451 13721 1 18 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.648 -0.276 11451 13722 1 18 . 1 1 157 157 ILE H H 157 9.168 9.168 9.174 -0.006 11451 13723 1 18 . 1 1 158 158 GLU N N 158 130.185 130.185 128.666 1.519 11451 13724 1 18 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.278 -0.238 11451 13725 1 18 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.399 0.507 11451 13726 1 18 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.794 -0.796 11451 13727 1 18 . 1 1 158 158 GLU H H 158 8.910 8.910 8.690 0.220 11451 13728 1 18 . 1 1 159 159 SER N N 159 108.037 108.037 111.793 -3.756 11451 13729 1 18 . 1 1 159 159 SER HA H 159 4.399 4.399 4.884 -0.485 11451 13730 1 18 . 1 1 159 159 SER CA C 159 57.505 57.505 57.123 0.382 11451 13731 1 18 . 1 1 159 159 SER CB C 159 64.403 64.403 64.698 -0.295 11451 13732 1 18 . 1 1 159 159 SER H H 159 7.772 7.772 8.392 -0.620 11451 13733 1 18 . 1 1 160 160 VAL N N 160 119.790 119.790 121.354 -1.564 11451 13734 1 18 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.290 -0.115 11451 13735 1 18 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.978 -0.413 11451 13736 1 18 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.503 -0.488 11451 13737 1 18 . 1 1 160 160 VAL H H 160 7.681 7.681 8.491 -0.810 11451 13738 1 18 . 1 1 161 161 THR N N 161 122.628 122.628 122.241 0.387 11451 13739 1 18 . 1 1 161 161 THR HA H 161 4.662 4.662 4.775 -0.113 11451 13740 1 18 . 1 1 161 161 THR CA C 161 61.452 61.452 61.296 0.156 11451 13741 1 18 . 1 1 161 161 THR CB C 161 70.781 70.781 71.941 -1.159 11451 13742 1 18 . 1 1 161 161 THR H H 161 8.817 8.817 9.218 -0.401 11451 13743 1 18 . 1 1 162 162 VAL N N 162 129.304 129.304 126.765 2.539 11451 13744 1 18 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.464 0.023 11451 13745 1 18 . 1 1 162 162 VAL CA C 162 61.757 61.757 61.787 -0.030 11451 13746 1 18 . 1 1 162 162 VAL CB C 162 32.482 32.482 31.704 0.778 11451 13747 1 18 . 1 1 162 162 VAL H H 162 9.075 9.075 8.606 0.469 11451 13748 1 18 . 1 1 163 163 SER N N 163 123.979 123.979 124.047 -0.068 11451 13749 1 18 . 1 1 163 163 SER HA H 163 4.601 4.601 4.673 -0.072 11451 13750 1 18 . 1 1 163 163 SER CA C 163 57.521 57.521 56.757 0.764 11451 13751 1 18 . 1 1 163 163 SER CB C 163 64.409 64.409 64.775 -0.366 11451 13752 1 18 . 1 1 163 163 SER H H 163 8.727 8.727 8.814 -0.087 11451 13753 1 19 . 1 1 2 2 VAL N N 2 123.776 123.776 121.201 2.575 11451 13754 1 19 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.746 0.029 11451 13755 1 19 . 1 1 2 2 VAL CA C 2 61.024 61.024 61.220 -0.196 11451 13756 1 19 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.407 0.724 11451 13757 1 19 . 1 1 2 2 VAL H H 2 8.961 8.961 9.006 -0.045 11451 13758 1 19 . 1 1 3 3 THR N N 3 121.749 121.749 124.459 -2.710 11451 13759 1 19 . 1 1 3 3 THR HA H 3 5.053 5.053 4.862 0.191 11451 13760 1 19 . 1 1 3 3 THR CA C 3 61.176 61.176 61.714 -0.538 11451 13761 1 19 . 1 1 3 3 THR CB C 3 70.356 70.356 69.592 0.764 11451 13762 1 19 . 1 1 3 3 THR H H 3 8.912 8.912 9.134 -0.222 11451 13763 1 19 . 1 1 4 4 PHE N N 4 125.726 125.726 126.767 -1.041 11451 13764 1 19 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.949 -0.154 11451 13765 1 19 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.115 -1.104 11451 13766 1 19 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.684 -0.963 11451 13767 1 19 . 1 1 4 4 PHE H H 4 9.442 9.442 9.059 0.383 11451 13768 1 19 . 1 1 5 5 HIS N N 5 125.337 125.337 124.065 1.272 11451 13769 1 19 . 1 1 5 5 HIS HA H 5 5.349 5.349 4.954 0.396 11451 13770 1 19 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.525 -1.217 11451 13771 1 19 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.110 -3.593 11451 13772 1 19 . 1 1 5 5 HIS H H 5 8.897 8.897 9.341 -0.444 11451 13773 1 19 . 1 1 6 6 THR N N 6 115.752 115.752 115.610 0.142 11451 13774 1 19 . 1 1 6 6 THR HA H 6 6.126 6.126 4.944 1.182 11451 13775 1 19 . 1 1 6 6 THR CA C 6 60.220 60.220 58.600 1.620 11451 13776 1 19 . 1 1 6 6 THR CB C 6 72.515 72.515 71.060 1.455 11451 13777 1 19 . 1 1 6 6 THR H H 6 7.881 7.881 8.208 -0.327 11451 13778 1 19 . 1 1 7 7 ASN N N 7 119.451 119.451 119.550 -0.099 11451 13779 1 19 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.601 -0.026 11451 13780 1 19 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.413 0.080 11451 13781 1 19 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.516 -3.182 11451 13782 1 19 . 1 1 7 7 ASN H H 7 9.334 9.334 8.572 0.762 11451 13783 1 19 . 1 1 8 8 HIS N N 8 118.490 118.490 116.318 2.172 11451 13784 1 19 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.849 -0.358 11451 13785 1 19 . 1 1 8 8 HIS CA C 8 56.790 56.790 55.587 1.203 11451 13786 1 19 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.433 1.201 11451 13787 1 19 . 1 1 8 8 HIS H H 8 8.663 8.663 7.191 1.472 11451 13788 1 19 . 1 1 9 9 GLY N N 9 108.550 108.550 108.305 0.245 11451 13789 1 19 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.707 -1.107 11451 13790 1 19 . 1 1 9 9 GLY H H 9 7.320 7.320 7.701 -0.381 11451 13791 1 19 . 1 1 10 10 ASP N N 10 123.900 123.900 123.022 0.878 11451 13792 1 19 . 1 1 10 10 ASP HA H 10 5.620 5.620 4.843 0.777 11451 13793 1 19 . 1 1 10 10 ASP CA C 10 54.310 54.310 55.209 -0.898 11451 13794 1 19 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.265 0.235 11451 13795 1 19 . 1 1 10 10 ASP H H 10 8.857 8.857 8.432 0.425 11451 13796 1 19 . 1 1 11 11 ILE N N 11 121.150 121.150 123.516 -2.366 11451 13797 1 19 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.629 -0.293 11451 13798 1 19 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.086 1.190 11451 13799 1 19 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.343 -0.684 11451 13800 1 19 . 1 1 11 11 ILE H H 11 8.638 8.638 8.673 -0.035 11451 13801 1 19 . 1 1 12 12 VAL N N 12 129.487 129.487 124.668 4.819 11451 13802 1 19 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.783 -0.252 11451 13803 1 19 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.394 1.916 11451 13804 1 19 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.579 -2.337 11451 13805 1 19 . 1 1 12 12 VAL H H 12 8.771 8.771 8.818 -0.047 11451 13806 1 19 . 1 1 13 13 ILE N N 13 127.702 127.702 126.548 1.154 11451 13807 1 19 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.710 -0.040 11451 13808 1 19 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.587 0.151 11451 13809 1 19 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.547 0.012 11451 13810 1 19 . 1 1 13 13 ILE H H 13 9.527 9.527 9.061 0.466 11451 13811 1 19 . 1 1 14 14 LYS N N 14 126.574 126.574 126.380 0.194 11451 13812 1 19 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.574 0.203 11451 13813 1 19 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.344 -0.501 11451 13814 1 19 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.137 0.363 11451 13815 1 19 . 1 1 14 14 LYS H H 14 8.684 8.684 8.779 -0.095 11451 13816 1 19 . 1 1 15 15 THR N N 15 113.811 113.811 117.891 -4.080 11451 13817 1 19 . 1 1 15 15 THR HA H 15 4.130 4.130 4.201 -0.071 11451 13818 1 19 . 1 1 15 15 THR CA C 15 59.806 59.806 60.999 -1.193 11451 13819 1 19 . 1 1 15 15 THR CB C 15 69.319 69.319 69.555 -0.236 11451 13820 1 19 . 1 1 15 15 THR H H 15 8.343 8.343 8.465 -0.122 11451 13821 1 19 . 1 1 16 16 PHE N N 16 122.611 122.611 123.611 -1.000 11451 13822 1 19 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.757 0.518 11451 13823 1 19 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.673 -1.383 11451 13824 1 19 . 1 1 16 16 PHE CB C 16 36.370 36.370 37.036 -0.666 11451 13825 1 19 . 1 1 16 16 PHE H H 16 8.315 8.315 8.789 -0.474 11451 13826 1 19 . 1 1 17 17 ASP N N 17 120.182 120.182 122.435 -2.253 11451 13827 1 19 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.560 -0.798 11451 13828 1 19 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.696 0.262 11451 13829 1 19 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.864 -1.915 11451 13830 1 19 . 1 1 17 17 ASP H H 17 9.106 9.106 8.146 0.960 11451 13831 1 19 . 1 1 18 18 ASP N N 18 111.686 111.686 117.544 -5.858 11451 13832 1 19 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.563 -0.188 11451 13833 1 19 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.194 -1.171 11451 13834 1 19 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.857 -1.094 11451 13835 1 19 . 1 1 18 18 ASP H H 18 8.584 8.584 8.737 -0.153 11451 13836 1 19 . 1 1 19 19 LYS N N 19 118.003 118.003 116.495 1.508 11451 13837 1 19 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.433 0.003 11451 13838 1 19 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.761 -0.374 11451 13839 1 19 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.525 0.342 11451 13840 1 19 . 1 1 19 19 LYS H H 19 7.333 7.333 7.370 -0.037 11451 13841 1 19 . 1 1 20 20 ALA N N 20 123.657 123.657 121.664 1.993 11451 13842 1 19 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.048 -0.430 11451 13843 1 19 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.825 -0.708 11451 13844 1 19 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.934 -0.699 11451 13845 1 19 . 1 1 20 20 ALA H H 20 7.560 7.560 8.204 -0.644 11451 13846 1 19 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.353 0.071 11451 13847 1 19 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.599 0.678 11451 13848 1 19 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.967 -0.459 11451 13849 1 19 . 1 1 22 22 GLU N N 22 122.557 122.557 118.647 3.910 11451 13850 1 19 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.176 -0.164 11451 13851 1 19 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.065 0.559 11451 13852 1 19 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.055 -0.575 11451 13853 1 19 . 1 1 22 22 GLU H H 22 9.855 9.855 8.178 1.677 11451 13854 1 19 . 1 1 23 23 THR N N 23 122.201 122.201 118.213 3.988 11451 13855 1 19 . 1 1 23 23 THR HA H 23 3.584 3.584 3.998 -0.414 11451 13856 1 19 . 1 1 23 23 THR CA C 23 66.554 66.554 67.100 -0.547 11451 13857 1 19 . 1 1 23 23 THR CB C 23 67.614 67.614 68.883 -1.269 11451 13858 1 19 . 1 1 23 23 THR H H 23 9.390 9.390 8.702 0.688 11451 13859 1 19 . 1 1 24 24 VAL N N 24 125.111 125.111 120.980 4.131 11451 13860 1 19 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.802 -0.317 11451 13861 1 19 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.441 1.866 11451 13862 1 19 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.070 -0.181 11451 13863 1 19 . 1 1 24 24 VAL H H 24 9.359 9.359 8.592 0.767 11451 13864 1 19 . 1 1 25 25 LYS N N 25 121.050 121.050 120.718 0.332 11451 13865 1 19 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.989 -0.121 11451 13866 1 19 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.441 0.798 11451 13867 1 19 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.930 -0.233 11451 13868 1 19 . 1 1 25 25 LYS H H 25 7.686 7.686 8.496 -0.810 11451 13869 1 19 . 1 1 26 26 ASN N N 26 116.337 116.337 117.666 -1.329 11451 13870 1 19 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.414 -0.358 11451 13871 1 19 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.198 0.361 11451 13872 1 19 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.430 2.262 11451 13873 1 19 . 1 1 26 26 ASN H H 26 7.535 7.535 7.814 -0.279 11451 13874 1 19 . 1 1 27 27 PHE N N 27 119.858 119.858 122.014 -2.156 11451 13875 1 19 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.489 0.050 11451 13876 1 19 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.236 -0.303 11451 13877 1 19 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.027 0.804 11451 13878 1 19 . 1 1 27 27 PHE H H 27 7.867 7.867 8.093 -0.226 11451 13879 1 19 . 1 1 28 28 LEU N N 28 120.761 120.761 119.764 0.997 11451 13880 1 19 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.743 0.000 11451 13881 1 19 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.025 -0.157 11451 13882 1 19 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.315 -0.060 11451 13883 1 19 . 1 1 28 28 LEU H H 28 9.377 9.377 8.730 0.647 11451 13884 1 19 . 1 1 29 29 ASP N N 29 121.607 121.607 119.391 2.216 11451 13885 1 19 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.270 0.025 11451 13886 1 19 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.634 0.195 11451 13887 1 19 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.291 -1.265 11451 13888 1 19 . 1 1 29 29 ASP H H 29 8.374 8.374 8.533 -0.159 11451 13889 1 19 . 1 1 30 30 TYR N N 30 118.959 118.959 119.451 -0.492 11451 13890 1 19 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.218 -0.213 11451 13891 1 19 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.588 0.159 11451 13892 1 19 . 1 1 30 30 TYR CB C 30 37.739 37.739 37.940 -0.201 11451 13893 1 19 . 1 1 30 30 TYR H H 30 7.287 7.287 7.541 -0.254 11451 13894 1 19 . 1 1 31 31 CYS N N 31 116.202 116.202 117.847 -1.645 11451 13895 1 19 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.202 -0.168 11451 13896 1 19 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.930 0.473 11451 13897 1 19 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.159 0.062 11451 13898 1 19 . 1 1 31 31 CYS H H 31 8.336 8.336 8.366 -0.030 11451 13899 1 19 . 1 1 32 32 ARG N N 32 121.949 121.949 120.403 1.546 11451 13900 1 19 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.127 -0.265 11451 13901 1 19 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.556 1.163 11451 13902 1 19 . 1 1 32 32 ARG CB C 32 30.374 30.374 29.986 0.388 11451 13903 1 19 . 1 1 32 32 ARG H H 32 9.077 9.077 8.270 0.807 11451 13904 1 19 . 1 1 33 33 GLU N N 33 116.667 116.667 116.633 0.034 11451 13905 1 19 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.345 -0.158 11451 13906 1 19 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.337 0.111 11451 13907 1 19 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.958 -0.700 11451 13908 1 19 . 1 1 33 33 GLU H H 33 7.920 7.920 7.589 0.331 11451 13909 1 19 . 1 1 34 34 GLY N N 34 107.273 107.273 107.051 0.222 11451 13910 1 19 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.290 0.108 11451 13911 1 19 . 1 1 34 34 GLY H H 34 7.533 7.533 7.987 -0.454 11451 13912 1 19 . 1 1 35 35 PHE N N 35 122.134 122.134 122.074 0.060 11451 13913 1 19 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.052 -0.387 11451 13914 1 19 . 1 1 35 35 PHE CA C 35 61.605 61.605 61.794 -0.189 11451 13915 1 19 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.442 0.628 11451 13916 1 19 . 1 1 35 35 PHE H H 35 8.129 8.129 8.322 -0.193 11451 13917 1 19 . 1 1 36 36 TYR N N 36 111.250 111.250 114.212 -2.962 11451 13918 1 19 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.224 0.100 11451 13919 1 19 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.607 -0.929 11451 13920 1 19 . 1 1 36 36 TYR CB C 36 37.460 37.460 37.958 -0.498 11451 13921 1 19 . 1 1 36 36 TYR H H 36 7.355 7.355 8.363 -1.008 11451 13922 1 19 . 1 1 37 37 ASN N N 37 121.890 121.890 119.715 2.175 11451 13923 1 19 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.533 -0.708 11451 13924 1 19 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.248 -0.069 11451 13925 1 19 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.067 -2.212 11451 13926 1 19 . 1 1 37 37 ASN H H 37 7.106 7.106 7.630 -0.524 11451 13927 1 19 . 1 1 38 38 ASN N N 38 121.572 121.572 116.736 4.836 11451 13928 1 19 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.369 -0.321 11451 13929 1 19 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.443 0.277 11451 13930 1 19 . 1 1 38 38 ASN CB C 38 38.538 38.538 38.021 0.517 11451 13931 1 19 . 1 1 38 38 ASN H H 38 9.235 9.235 8.959 0.276 11451 13932 1 19 . 1 1 39 39 THR N N 39 104.540 104.540 108.930 -4.390 11451 13933 1 19 . 1 1 39 39 THR HA H 39 5.006 5.006 5.094 -0.088 11451 13934 1 19 . 1 1 39 39 THR CA C 39 59.979 59.979 61.045 -1.066 11451 13935 1 19 . 1 1 39 39 THR CB C 39 72.789 72.789 69.701 3.088 11451 13936 1 19 . 1 1 39 39 THR H H 39 7.328 7.328 7.565 -0.237 11451 13937 1 19 . 1 1 40 40 ILE N N 40 108.904 108.904 117.448 -8.544 11451 13938 1 19 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.089 0.580 11451 13939 1 19 . 1 1 40 40 ILE CA C 40 58.800 58.800 59.250 -0.450 11451 13940 1 19 . 1 1 40 40 ILE CB C 40 39.724 39.724 40.128 -0.404 11451 13941 1 19 . 1 1 40 40 ILE H H 40 7.943 7.943 8.640 -0.697 11451 13942 1 19 . 1 1 41 41 PHE N N 41 122.068 122.068 122.287 -0.219 11451 13943 1 19 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.553 0.407 11451 13944 1 19 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.585 1.232 11451 13945 1 19 . 1 1 41 41 PHE CB C 41 37.410 37.410 37.119 0.291 11451 13946 1 19 . 1 1 41 41 PHE H H 41 8.289 8.289 8.530 -0.241 11451 13947 1 19 . 1 1 42 42 HIS N N 42 121.477 121.477 118.025 3.452 11451 13948 1 19 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.423 -0.147 11451 13949 1 19 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.410 0.188 11451 13950 1 19 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.189 1.474 11451 13951 1 19 . 1 1 42 42 HIS H H 42 7.862 7.862 7.719 0.143 11451 13952 1 19 . 1 1 43 43 ARG N N 43 123.403 123.403 118.825 4.578 11451 13953 1 19 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.874 -0.258 11451 13954 1 19 . 1 1 43 43 ARG CA C 43 55.318 55.318 55.476 -0.158 11451 13955 1 19 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.702 -1.427 11451 13956 1 19 . 1 1 43 43 ARG H H 43 6.933 6.933 7.309 -0.376 11451 13957 1 19 . 1 1 44 44 VAL N N 44 129.359 129.359 125.043 4.316 11451 13958 1 19 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.485 -0.345 11451 13959 1 19 . 1 1 44 44 VAL CA C 44 62.374 62.374 60.780 1.594 11451 13960 1 19 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.022 0.169 11451 13961 1 19 . 1 1 44 44 VAL H H 44 9.023 9.023 8.905 0.118 11451 13962 1 19 . 1 1 45 45 ILE N N 45 126.532 126.532 125.009 1.523 11451 13963 1 19 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.527 -0.291 11451 13964 1 19 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.754 0.710 11451 13965 1 19 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.837 -1.887 11451 13966 1 19 . 1 1 45 45 ILE H H 45 8.243 8.243 8.038 0.205 11451 13967 1 19 . 1 1 46 46 ASN N N 46 128.015 128.015 127.408 0.607 11451 13968 1 19 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.569 -0.408 11451 13969 1 19 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.077 0.264 11451 13970 1 19 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.640 -1.966 11451 13971 1 19 . 1 1 46 46 ASN H H 46 9.127 9.127 8.733 0.394 11451 13972 1 19 . 1 1 47 47 GLY N N 47 110.314 110.314 107.266 3.048 11451 13973 1 19 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.535 0.095 11451 13974 1 19 . 1 1 47 47 GLY H H 47 7.542 7.542 8.861 -1.319 11451 13975 1 19 . 1 1 48 48 PHE N N 48 116.701 116.701 118.749 -2.048 11451 13976 1 19 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.814 0.328 11451 13977 1 19 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.216 1.284 11451 13978 1 19 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.106 -2.778 11451 13979 1 19 . 1 1 48 48 PHE H H 48 7.800 7.800 7.644 0.156 11451 13980 1 19 . 1 1 49 49 MET N N 49 117.710 117.710 117.919 -0.209 11451 13981 1 19 . 1 1 49 49 MET HA H 49 5.027 5.027 4.534 0.493 11451 13982 1 19 . 1 1 49 49 MET CA C 49 55.009 55.009 53.184 1.825 11451 13983 1 19 . 1 1 49 49 MET CB C 49 35.120 35.120 33.249 1.871 11451 13984 1 19 . 1 1 49 49 MET H H 49 8.363 8.363 7.006 1.357 11451 13985 1 19 . 1 1 50 50 ILE N N 50 110.774 110.774 113.408 -2.634 11451 13986 1 19 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.902 -0.035 11451 13987 1 19 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.341 0.394 11451 13988 1 19 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.595 -0.334 11451 13989 1 19 . 1 1 50 50 ILE H H 50 7.749 7.749 7.703 0.046 11451 13990 1 19 . 1 1 51 51 GLN N N 51 127.997 127.997 125.326 2.671 11451 13991 1 19 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.952 0.249 11451 13992 1 19 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.881 0.171 11451 13993 1 19 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.739 -1.055 11451 13994 1 19 . 1 1 51 51 GLN H H 51 9.198 9.198 8.419 0.779 11451 13995 1 19 . 1 1 52 52 GLY N N 52 111.413 111.413 106.935 4.478 11451 13996 1 19 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.202 1.091 11451 13997 1 19 . 1 1 52 52 GLY H H 52 8.037 8.037 8.453 -0.416 11451 13998 1 19 . 1 1 53 53 GLY N N 53 106.177 106.177 107.439 -1.262 11451 13999 1 19 . 1 1 53 53 GLY CA C 53 46.077 46.077 45.948 0.129 11451 14000 1 19 . 1 1 53 53 GLY H H 53 8.334 8.334 8.062 0.272 11451 14001 1 19 . 1 1 54 54 GLY N N 54 129.939 129.939 106.582 23.357 11451 14002 1 19 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.509 -0.097 11451 14003 1 19 . 1 1 54 54 GLY H H 54 9.068 9.068 8.010 1.058 11451 14004 1 19 . 1 1 55 55 PHE N N 55 121.195 121.195 116.455 4.740 11451 14005 1 19 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.134 -0.247 11451 14006 1 19 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.188 0.510 11451 14007 1 19 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.550 -0.704 11451 14008 1 19 . 1 1 55 55 PHE H H 55 9.329 9.329 7.375 1.954 11451 14009 1 19 . 1 1 56 56 GLU N N 56 120.126 120.126 120.597 -0.471 11451 14010 1 19 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.168 -0.320 11451 14011 1 19 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.194 1.005 11451 14012 1 19 . 1 1 56 56 GLU CB C 56 29.452 29.452 29.875 -0.423 11451 14013 1 19 . 1 1 56 56 GLU H H 56 8.531 8.531 8.394 0.137 11451 14014 1 19 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.344 -0.354 11451 14015 1 19 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.547 0.316 11451 14016 1 19 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.423 -0.555 11451 14017 1 19 . 1 1 58 58 GLY N N 58 113.477 113.477 106.113 7.364 11451 14018 1 19 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.093 0.273 11451 14019 1 19 . 1 1 58 58 GLY H H 58 9.454 9.454 7.985 1.469 11451 14020 1 19 . 1 1 59 59 MET N N 59 114.007 114.007 116.686 -2.679 11451 14021 1 19 . 1 1 59 59 MET HA H 59 3.946 3.946 3.990 -0.044 11451 14022 1 19 . 1 1 59 59 MET CA C 59 54.650 54.650 56.250 -1.600 11451 14023 1 19 . 1 1 59 59 MET CB C 59 25.875 25.875 29.415 -3.540 11451 14024 1 19 . 1 1 59 59 MET H H 59 8.027 8.027 7.880 0.147 11451 14025 1 19 . 1 1 60 60 LYS N N 60 120.420 120.420 119.603 0.817 11451 14026 1 19 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.609 -0.143 11451 14027 1 19 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.413 -0.455 11451 14028 1 19 . 1 1 60 60 LYS CB C 60 32.310 32.310 33.118 -0.808 11451 14029 1 19 . 1 1 60 60 LYS H H 60 6.996 6.996 7.690 -0.694 11451 14030 1 19 . 1 1 61 61 GLN N N 61 130.250 130.250 125.509 4.741 11451 14031 1 19 . 1 1 61 61 GLN HA H 61 3.386 3.386 3.982 -0.596 11451 14032 1 19 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.463 0.316 11451 14033 1 19 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.425 -0.984 11451 14034 1 19 . 1 1 61 61 GLN H H 61 8.965 8.965 8.754 0.211 11451 14035 1 19 . 1 1 62 62 LYS N N 62 126.196 126.196 125.822 0.374 11451 14036 1 19 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.205 -0.075 11451 14037 1 19 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.980 0.710 11451 14038 1 19 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.999 -0.227 11451 14039 1 19 . 1 1 62 62 LYS H H 62 7.323 7.323 7.562 -0.239 11451 14040 1 19 . 1 1 63 63 ALA N N 63 127.588 127.588 123.979 3.609 11451 14041 1 19 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.553 -0.269 11451 14042 1 19 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.484 1.161 11451 14043 1 19 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.575 0.798 11451 14044 1 19 . 1 1 63 63 ALA H H 63 8.458 8.458 8.676 -0.218 11451 14045 1 19 . 1 1 64 64 THR N N 64 111.370 111.370 113.449 -2.079 11451 14046 1 19 . 1 1 64 64 THR HA H 64 4.550 4.550 3.964 0.586 11451 14047 1 19 . 1 1 64 64 THR CA C 64 60.554 60.554 62.653 -2.099 11451 14048 1 19 . 1 1 64 64 THR CB C 64 71.700 71.700 69.039 2.661 11451 14049 1 19 . 1 1 64 64 THR H H 64 8.122 8.122 7.622 0.500 11451 14050 1 19 . 1 1 65 65 LYS N N 65 118.451 118.451 126.469 -8.018 11451 14051 1 19 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.535 -0.116 11451 14052 1 19 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.028 0.318 11451 14053 1 19 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.669 -3.187 11451 14054 1 19 . 1 1 65 65 LYS H H 65 7.879 7.879 8.415 -0.536 11451 14055 1 19 . 1 1 66 66 GLU N N 66 118.805 118.805 119.588 -0.783 11451 14056 1 19 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.105 0.052 11451 14057 1 19 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.233 -0.351 11451 14058 1 19 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.079 0.271 11451 14059 1 19 . 1 1 66 66 GLU H H 66 7.872 7.872 8.636 -0.764 11451 14060 1 19 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.399 0.455 11451 14061 1 19 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.134 -0.979 11451 14062 1 19 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.259 0.431 11451 14063 1 19 . 1 1 68 68 ILE N N 68 112.686 112.686 118.676 -5.990 11451 14064 1 19 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.434 0.003 11451 14065 1 19 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.360 -0.389 11451 14066 1 19 . 1 1 68 68 ILE CB C 68 41.525 41.525 41.571 -0.046 11451 14067 1 19 . 1 1 68 68 ILE H H 68 8.235 8.235 7.981 0.254 11451 14068 1 19 . 1 1 69 69 LYS N N 69 121.199 121.199 123.509 -2.310 11451 14069 1 19 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.496 -0.555 11451 14070 1 19 . 1 1 69 69 LYS CA C 69 55.060 55.060 56.478 -1.418 11451 14071 1 19 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.455 -0.315 11451 14072 1 19 . 1 1 69 69 LYS H H 69 7.849 7.849 8.594 -0.745 11451 14073 1 19 . 1 1 70 70 ASN N N 70 126.585 126.585 120.530 6.055 11451 14074 1 19 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.400 -0.178 11451 14075 1 19 . 1 1 70 70 ASN CA C 70 53.328 53.328 55.700 -2.372 11451 14076 1 19 . 1 1 70 70 ASN CB C 70 37.137 37.137 39.192 -2.055 11451 14077 1 19 . 1 1 70 70 ASN H H 70 10.816 10.816 8.891 1.925 11451 14078 1 19 . 1 1 71 71 GLU N N 71 126.223 126.223 113.571 12.652 11451 14079 1 19 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.208 0.445 11451 14080 1 19 . 1 1 71 71 GLU CA C 71 55.597 55.597 57.923 -2.326 11451 14081 1 19 . 1 1 71 71 GLU CB C 71 29.780 29.780 27.337 2.443 11451 14082 1 19 . 1 1 71 71 GLU H H 71 8.202 8.202 8.942 -0.740 11451 14083 1 19 . 1 1 72 72 ALA N N 72 120.736 120.736 122.045 -1.309 11451 14084 1 19 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.171 0.061 11451 14085 1 19 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.730 0.390 11451 14086 1 19 . 1 1 72 72 ALA CB C 72 18.506 18.506 18.975 -0.469 11451 14087 1 19 . 1 1 72 72 ALA H H 72 9.149 9.149 8.326 0.823 11451 14088 1 19 . 1 1 73 73 ASN N N 73 114.744 114.744 116.763 -2.019 11451 14089 1 19 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.747 0.434 11451 14090 1 19 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.756 -1.425 11451 14091 1 19 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.635 -1.959 11451 14092 1 19 . 1 1 73 73 ASN H H 73 7.892 7.892 8.689 -0.797 11451 14093 1 19 . 1 1 74 74 ASN N N 74 119.796 119.796 118.110 1.686 11451 14094 1 19 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.519 -0.140 11451 14095 1 19 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.187 -0.420 11451 14096 1 19 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.260 0.155 11451 14097 1 19 . 1 1 74 74 ASN H H 74 8.408 8.408 7.546 0.862 11451 14098 1 19 . 1 1 75 75 GLY N N 75 108.891 108.891 108.345 0.546 11451 14099 1 19 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.314 0.313 11451 14100 1 19 . 1 1 75 75 GLY H H 75 7.971 7.971 7.588 0.383 11451 14101 1 19 . 1 1 76 76 LEU N N 76 120.602 120.602 120.974 -0.372 11451 14102 1 19 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.360 -0.049 11451 14103 1 19 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.993 -0.394 11451 14104 1 19 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.792 -1.704 11451 14105 1 19 . 1 1 76 76 LEU H H 76 7.734 7.734 8.168 -0.434 11451 14106 1 19 . 1 1 77 77 LYS N N 77 121.982 121.982 119.257 2.725 11451 14107 1 19 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.772 -0.322 11451 14108 1 19 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.713 0.288 11451 14109 1 19 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.565 -0.865 11451 14110 1 19 . 1 1 77 77 LYS H H 77 8.161 8.161 8.173 -0.012 11451 14111 1 19 . 1 1 78 78 ASN N N 78 124.764 124.764 123.014 1.750 11451 14112 1 19 . 1 1 78 78 ASN HA H 78 4.667 4.667 4.862 -0.195 11451 14113 1 19 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.761 0.552 11451 14114 1 19 . 1 1 78 78 ASN CB C 78 37.130 37.130 39.150 -2.020 11451 14115 1 19 . 1 1 78 78 ASN H H 78 9.564 9.564 9.386 0.178 11451 14116 1 19 . 1 1 79 79 THR N N 79 114.955 114.955 112.797 2.158 11451 14117 1 19 . 1 1 79 79 THR HA H 79 4.263 4.263 4.937 -0.674 11451 14118 1 19 . 1 1 79 79 THR CA C 79 60.774 60.774 59.651 1.123 11451 14119 1 19 . 1 1 79 79 THR CB C 79 70.347 70.347 72.033 -1.686 11451 14120 1 19 . 1 1 79 79 THR H H 79 8.190 8.190 8.415 -0.225 11451 14121 1 19 . 1 1 80 80 ARG N N 80 124.080 124.080 122.510 1.570 11451 14122 1 19 . 1 1 80 80 ARG HA H 80 3.203 3.203 4.094 -0.891 11451 14123 1 19 . 1 1 80 80 ARG CA C 80 58.487 58.487 56.969 1.518 11451 14124 1 19 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.427 -0.518 11451 14125 1 19 . 1 1 80 80 ARG H H 80 9.203 9.203 8.775 0.428 11451 14126 1 19 . 1 1 81 81 GLY N N 81 115.741 115.741 115.488 0.253 11451 14127 1 19 . 1 1 81 81 GLY CA C 81 45.071 45.071 44.995 0.076 11451 14128 1 19 . 1 1 81 81 GLY H H 81 8.976 8.976 9.145 -0.169 11451 14129 1 19 . 1 1 82 82 THR N N 82 110.362 110.362 110.513 -0.151 11451 14130 1 19 . 1 1 82 82 THR HA H 82 4.623 4.623 4.627 -0.004 11451 14131 1 19 . 1 1 82 82 THR CA C 82 61.694 61.694 59.735 1.959 11451 14132 1 19 . 1 1 82 82 THR CB C 82 72.230 72.230 71.888 0.342 11451 14133 1 19 . 1 1 82 82 THR H H 82 8.070 8.070 7.306 0.764 11451 14134 1 19 . 1 1 83 83 LEU N N 83 121.341 121.341 121.979 -0.638 11451 14135 1 19 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.364 -0.145 11451 14136 1 19 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.757 0.593 11451 14137 1 19 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.800 -2.281 11451 14138 1 19 . 1 1 83 83 LEU H H 83 7.918 7.918 8.341 -0.423 11451 14139 1 19 . 1 1 84 84 ALA N N 84 121.663 121.663 123.556 -1.893 11451 14140 1 19 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.156 0.361 11451 14141 1 19 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.809 -0.740 11451 14142 1 19 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.602 1.383 11451 14143 1 19 . 1 1 84 84 ALA H H 84 8.053 8.053 8.036 0.017 11451 14144 1 19 . 1 1 85 85 MET N N 85 115.338 115.338 118.802 -3.464 11451 14145 1 19 . 1 1 85 85 MET HA H 85 5.241 5.241 4.721 0.520 11451 14146 1 19 . 1 1 85 85 MET CA C 85 52.707 52.707 52.982 -0.275 11451 14147 1 19 . 1 1 85 85 MET CB C 85 29.801 29.801 32.757 -2.956 11451 14148 1 19 . 1 1 85 85 MET H H 85 7.539 7.539 7.978 -0.439 11451 14149 1 19 . 1 1 86 86 ALA N N 86 126.558 126.558 125.177 1.381 11451 14150 1 19 . 1 1 86 86 ALA HA H 86 4.683 4.683 5.010 -0.327 11451 14151 1 19 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.044 0.163 11451 14152 1 19 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.941 -1.525 11451 14153 1 19 . 1 1 86 86 ALA H H 86 8.287 8.287 8.822 -0.535 11451 14154 1 19 . 1 1 87 87 ARG N N 87 113.623 113.623 120.359 -6.736 11451 14155 1 19 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.748 -0.114 11451 14156 1 19 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.454 0.314 11451 14157 1 19 . 1 1 87 87 ARG CB C 87 29.722 29.722 31.880 -2.158 11451 14158 1 19 . 1 1 87 87 ARG H H 87 8.031 8.031 8.598 -0.567 11451 14159 1 19 . 1 1 88 88 THR N N 88 111.627 111.627 116.064 -4.437 11451 14160 1 19 . 1 1 88 88 THR HA H 88 4.624 4.624 4.231 0.393 11451 14161 1 19 . 1 1 88 88 THR CA C 88 60.554 60.554 64.682 -4.128 11451 14162 1 19 . 1 1 88 88 THR CB C 88 68.430 68.430 69.528 -1.098 11451 14163 1 19 . 1 1 88 88 THR H H 88 7.892 7.892 8.461 -0.569 11451 14164 1 19 . 1 1 89 89 GLN N N 89 117.361 117.361 115.586 1.775 11451 14165 1 19 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.531 -0.680 11451 14166 1 19 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.150 2.761 11451 14167 1 19 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.711 -2.341 11451 14168 1 19 . 1 1 89 89 GLN H H 89 8.188 8.188 8.156 0.032 11451 14169 1 19 . 1 1 90 90 ALA N N 90 122.998 122.998 124.379 -1.381 11451 14170 1 19 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.882 -0.537 11451 14171 1 19 . 1 1 90 90 ALA CA C 90 49.726 49.726 49.195 0.531 11451 14172 1 19 . 1 1 90 90 ALA CB C 90 17.174 17.174 19.435 -2.261 11451 14173 1 19 . 1 1 90 90 ALA H H 90 7.962 7.962 7.572 0.390 11451 14174 1 19 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.948 -0.480 11451 14175 1 19 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.189 1.248 11451 14176 1 19 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.575 -1.606 11451 14177 1 19 . 1 1 92 92 HIS N N 92 118.470 118.470 114.771 3.699 11451 14178 1 19 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.936 -0.112 11451 14179 1 19 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.452 -1.251 11451 14180 1 19 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.002 -0.693 11451 14181 1 19 . 1 1 92 92 HIS H H 92 7.977 7.977 7.984 -0.007 11451 14182 1 19 . 1 1 93 93 SER N N 93 108.425 108.425 114.679 -6.254 11451 14183 1 19 . 1 1 93 93 SER HA H 93 4.380 4.380 4.639 -0.259 11451 14184 1 19 . 1 1 93 93 SER CA C 93 57.696 57.696 57.870 -0.174 11451 14185 1 19 . 1 1 93 93 SER CB C 93 65.924 65.924 63.660 2.264 11451 14186 1 19 . 1 1 93 93 SER H H 93 6.374 6.374 7.714 -1.340 11451 14187 1 19 . 1 1 94 94 ALA N N 94 130.109 130.109 126.784 3.325 11451 14188 1 19 . 1 1 94 94 ALA HA H 94 4.276 4.276 4.950 -0.674 11451 14189 1 19 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.279 2.894 11451 14190 1 19 . 1 1 94 94 ALA CB C 94 20.366 20.366 17.533 2.833 11451 14191 1 19 . 1 1 94 94 ALA H H 94 8.543 8.543 7.475 1.068 11451 14192 1 19 . 1 1 95 95 THR N N 95 110.794 110.794 113.103 -2.309 11451 14193 1 19 . 1 1 95 95 THR HA H 95 4.722 4.722 4.250 0.472 11451 14194 1 19 . 1 1 95 95 THR CA C 95 59.725 59.725 64.512 -4.787 11451 14195 1 19 . 1 1 95 95 THR CB C 95 70.157 70.157 69.320 0.837 11451 14196 1 19 . 1 1 95 95 THR H H 95 8.925 8.925 7.820 1.105 11451 14197 1 19 . 1 1 96 96 ALA N N 96 121.615 121.615 120.857 0.758 11451 14198 1 19 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.749 -0.322 11451 14199 1 19 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.513 0.023 11451 14200 1 19 . 1 1 96 96 ALA CB C 96 23.216 23.216 20.046 3.170 11451 14201 1 19 . 1 1 96 96 ALA H H 96 7.954 7.954 8.272 -0.318 11451 14202 1 19 . 1 1 97 97 GLN N N 97 115.548 115.548 120.472 -4.924 11451 14203 1 19 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.857 -0.228 11451 14204 1 19 . 1 1 97 97 GLN CA C 97 57.388 57.388 56.338 1.050 11451 14205 1 19 . 1 1 97 97 GLN CB C 97 30.757 30.757 29.887 0.870 11451 14206 1 19 . 1 1 97 97 GLN H H 97 7.866 7.866 8.188 -0.322 11451 14207 1 19 . 1 1 98 98 PHE N N 98 117.593 117.593 119.461 -1.868 11451 14208 1 19 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.559 0.229 11451 14209 1 19 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.469 -0.815 11451 14210 1 19 . 1 1 98 98 PHE CB C 98 43.225 43.225 42.983 0.242 11451 14211 1 19 . 1 1 98 98 PHE H H 98 7.623 7.623 8.400 -0.777 11451 14212 1 19 . 1 1 99 99 PHE N N 99 116.226 116.226 114.332 1.894 11451 14213 1 19 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.271 0.461 11451 14214 1 19 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.564 -0.515 11451 14215 1 19 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.171 1.849 11451 14216 1 19 . 1 1 99 99 PHE H H 99 9.518 9.518 8.775 0.743 11451 14217 1 19 . 1 1 100 100 ILE N N 100 117.687 117.687 120.492 -2.805 11451 14218 1 19 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.807 0.020 11451 14219 1 19 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.139 -0.790 11451 14220 1 19 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.556 0.113 11451 14221 1 19 . 1 1 100 100 ILE H H 100 9.136 9.136 8.917 0.219 11451 14222 1 19 . 1 1 101 101 ASN N N 101 126.524 126.524 128.263 -1.739 11451 14223 1 19 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.764 -0.305 11451 14224 1 19 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.530 2.203 11451 14225 1 19 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.118 1.808 11451 14226 1 19 . 1 1 101 101 ASN H H 101 8.877 8.877 9.154 -0.277 11451 14227 1 19 . 1 1 102 102 VAL N N 102 117.660 117.660 120.310 -2.650 11451 14228 1 19 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.061 0.350 11451 14229 1 19 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.493 -1.586 11451 14230 1 19 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.555 -2.185 11451 14231 1 19 . 1 1 102 102 VAL H H 102 7.700 7.700 7.868 -0.168 11451 14232 1 19 . 1 1 103 103 VAL N N 103 116.637 116.637 113.000 3.637 11451 14233 1 19 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.470 -0.117 11451 14234 1 19 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.724 0.935 11451 14235 1 19 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.804 0.706 11451 14236 1 19 . 1 1 103 103 VAL H H 103 7.753 7.753 7.057 0.696 11451 14237 1 19 . 1 1 104 104 ASP N N 104 118.510 118.510 121.399 -2.889 11451 14238 1 19 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.571 -0.316 11451 14239 1 19 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.141 0.359 11451 14240 1 19 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.296 -2.208 11451 14241 1 19 . 1 1 104 104 ASP H H 104 8.171 8.171 8.540 -0.369 11451 14242 1 19 . 1 1 105 105 ASN N N 105 128.132 128.132 125.253 2.879 11451 14243 1 19 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.796 0.283 11451 14244 1 19 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.011 -0.482 11451 14245 1 19 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.107 0.028 11451 14246 1 19 . 1 1 105 105 ASN H H 105 8.352 8.352 8.172 0.180 11451 14247 1 19 . 1 1 106 106 ASP N N 106 121.636 121.636 122.853 -1.217 11451 14248 1 19 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.310 -0.039 11451 14249 1 19 . 1 1 106 106 ASP CA C 106 56.787 56.787 57.091 -0.304 11451 14250 1 19 . 1 1 106 106 ASP CB C 106 39.805 39.805 41.014 -1.209 11451 14251 1 19 . 1 1 106 106 ASP H H 106 8.203 8.203 8.901 -0.698 11451 14252 1 19 . 1 1 107 107 PHE N N 107 114.525 114.525 114.986 -0.461 11451 14253 1 19 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.357 0.141 11451 14254 1 19 . 1 1 107 107 PHE CA C 107 57.395 57.395 59.132 -1.737 11451 14255 1 19 . 1 1 107 107 PHE CB C 107 36.780 36.780 37.931 -1.151 11451 14256 1 19 . 1 1 107 107 PHE H H 107 7.388 7.388 7.836 -0.448 11451 14257 1 19 . 1 1 108 108 LEU N N 108 121.576 121.576 118.243 3.333 11451 14258 1 19 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.487 -0.021 11451 14259 1 19 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.343 -0.865 11451 14260 1 19 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.407 0.692 11451 14261 1 19 . 1 1 108 108 LEU H H 108 7.163 7.163 7.218 -0.055 11451 14262 1 19 . 1 1 109 109 ASN N N 109 116.121 116.121 117.723 -1.602 11451 14263 1 19 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.995 0.154 11451 14264 1 19 . 1 1 109 109 ASN CA C 109 52.970 52.970 52.733 0.237 11451 14265 1 19 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.266 -1.147 11451 14266 1 19 . 1 1 109 109 ASN H H 109 7.312 7.312 7.855 -0.543 11451 14267 1 19 . 1 1 110 110 PHE N N 110 124.182 124.182 120.637 3.545 11451 14268 1 19 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.581 -0.329 11451 14269 1 19 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.446 -0.391 11451 14270 1 19 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.105 -0.312 11451 14271 1 19 . 1 1 110 110 PHE H H 110 8.825 8.825 8.798 0.027 11451 14272 1 19 . 1 1 111 111 SER N N 111 122.136 122.136 119.270 2.866 11451 14273 1 19 . 1 1 111 111 SER HA H 111 4.179 4.179 4.426 -0.247 11451 14274 1 19 . 1 1 111 111 SER CA C 111 57.521 57.521 57.877 -0.356 11451 14275 1 19 . 1 1 111 111 SER CB C 111 64.617 64.617 64.403 0.214 11451 14276 1 19 . 1 1 111 111 SER H H 111 9.456 9.456 7.532 1.924 11451 14277 1 19 . 1 1 112 112 GLY N N 112 110.435 110.435 108.619 1.816 11451 14278 1 19 . 1 1 112 112 GLY CA C 112 45.378 45.378 45.292 0.086 11451 14279 1 19 . 1 1 112 112 GLY H H 112 5.514 5.514 7.111 -1.597 11451 14280 1 19 . 1 1 113 113 GLU N N 113 118.926 118.926 118.598 0.328 11451 14281 1 19 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.442 -0.795 11451 14282 1 19 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.311 -2.341 11451 14283 1 19 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.006 -2.343 11451 14284 1 19 . 1 1 113 113 GLU H H 113 7.862 7.862 8.012 -0.150 11451 14285 1 19 . 1 1 114 114 SER N N 114 119.323 119.323 113.760 5.563 11451 14286 1 19 . 1 1 114 114 SER HA H 114 4.625 4.625 4.817 -0.192 11451 14287 1 19 . 1 1 114 114 SER CA C 114 56.279 56.279 57.218 -0.939 11451 14288 1 19 . 1 1 114 114 SER H H 114 7.621 7.621 7.960 -0.339 11451 14289 1 19 . 1 1 115 115 LEU N N 115 122.373 122.373 127.988 -5.615 11451 14290 1 19 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.032 0.085 11451 14291 1 19 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.409 1.551 11451 14292 1 19 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.997 -0.872 11451 14293 1 19 . 1 1 115 115 LEU H H 115 8.745 8.745 9.013 -0.268 11451 14294 1 19 . 1 1 116 116 GLN N N 116 114.490 114.490 116.321 -1.831 11451 14295 1 19 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.275 -0.013 11451 14296 1 19 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.678 0.449 11451 14297 1 19 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.436 -0.239 11451 14298 1 19 . 1 1 116 116 GLN H H 116 8.292 8.292 8.312 -0.020 11451 14299 1 19 . 1 1 117 117 GLY N N 117 109.729 109.729 108.988 0.741 11451 14300 1 19 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.818 0.723 11451 14301 1 19 . 1 1 117 117 GLY H H 117 7.832 7.832 8.217 -0.385 11451 14302 1 19 . 1 1 118 118 TRP N N 118 123.807 123.807 123.754 0.053 11451 14303 1 19 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.821 -0.507 11451 14304 1 19 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.956 7.338 11451 14305 1 19 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.168 1.999 11451 14306 1 19 . 1 1 118 118 TRP H H 118 7.801 7.801 7.746 0.055 11451 14307 1 19 . 1 1 119 119 GLY N N 119 124.815 124.815 111.324 13.491 11451 14308 1 19 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.076 0.243 11451 14309 1 19 . 1 1 119 119 GLY H H 119 7.438 7.438 8.068 -0.630 11451 14310 1 19 . 1 1 120 120 TYR N N 120 119.720 119.720 120.344 -0.624 11451 14311 1 19 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.052 0.150 11451 14312 1 19 . 1 1 120 120 TYR CA C 120 57.319 57.319 56.773 0.546 11451 14313 1 19 . 1 1 120 120 TYR CB C 120 39.739 39.739 40.949 -1.210 11451 14314 1 19 . 1 1 120 120 TYR H H 120 8.281 8.281 8.449 -0.168 11451 14315 1 19 . 1 1 121 121 CYS N N 121 126.117 126.117 123.328 2.789 11451 14316 1 19 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.707 -0.468 11451 14317 1 19 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.192 1.505 11451 14318 1 19 . 1 1 121 121 CYS CB C 121 28.010 28.010 29.801 -1.791 11451 14319 1 19 . 1 1 121 121 CYS H H 121 9.818 9.818 9.024 0.794 11451 14320 1 19 . 1 1 122 122 VAL N N 122 106.168 106.168 128.796 -22.628 11451 14321 1 19 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.233 0.330 11451 14322 1 19 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.024 -0.374 11451 14323 1 19 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.562 0.917 11451 14324 1 19 . 1 1 122 122 VAL H H 122 9.382 9.382 8.831 0.551 11451 14325 1 19 . 1 1 123 123 PHE N N 123 118.398 118.398 123.964 -5.566 11451 14326 1 19 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.600 0.261 11451 14327 1 19 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.886 -2.946 11451 14328 1 19 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.675 1.964 11451 14329 1 19 . 1 1 123 123 PHE H H 123 7.842 7.842 7.934 -0.092 11451 14330 1 19 . 1 1 124 124 ALA N N 124 124.412 124.412 118.462 5.950 11451 14331 1 19 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.652 -0.002 11451 14332 1 19 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.599 0.161 11451 14333 1 19 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.764 1.871 11451 14334 1 19 . 1 1 124 124 ALA H H 124 7.327 7.327 6.903 0.424 11451 14335 1 19 . 1 1 125 125 GLU N N 125 115.272 115.272 118.270 -2.998 11451 14336 1 19 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.709 0.062 11451 14337 1 19 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.043 0.608 11451 14338 1 19 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.749 -0.979 11451 14339 1 19 . 1 1 125 125 GLU H H 125 8.223 8.223 8.139 0.084 11451 14340 1 19 . 1 1 126 126 VAL N N 126 123.948 123.948 122.696 1.252 11451 14341 1 19 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.946 -0.037 11451 14342 1 19 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.054 0.211 11451 14343 1 19 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.252 -0.442 11451 14344 1 19 . 1 1 126 126 VAL H H 126 8.786 8.786 8.143 0.643 11451 14345 1 19 . 1 1 127 127 VAL N N 127 123.644 123.644 127.072 -3.428 11451 14346 1 19 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.160 0.190 11451 14347 1 19 . 1 1 127 127 VAL CA C 127 61.494 61.494 62.757 -1.263 11451 14348 1 19 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.676 -0.194 11451 14349 1 19 . 1 1 127 127 VAL H H 127 9.096 9.096 8.908 0.188 11451 14350 1 19 . 1 1 128 128 ASP N N 128 121.165 121.165 119.157 2.008 11451 14351 1 19 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.822 0.100 11451 14352 1 19 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.790 0.611 11451 14353 1 19 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.206 -1.157 11451 14354 1 19 . 1 1 128 128 ASP H H 128 7.719 7.719 7.636 0.083 11451 14355 1 19 . 1 1 129 129 GLY N N 129 110.821 110.821 108.732 2.089 11451 14356 1 19 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.638 0.123 11451 14357 1 19 . 1 1 129 129 GLY H H 129 8.276 8.276 8.954 -0.678 11451 14358 1 19 . 1 1 130 130 MET N N 130 122.991 122.991 120.682 2.309 11451 14359 1 19 . 1 1 130 130 MET HA H 130 4.468 4.468 4.232 0.236 11451 14360 1 19 . 1 1 130 130 MET CA C 130 55.953 55.953 56.983 -1.030 11451 14361 1 19 . 1 1 130 130 MET CB C 130 28.771 28.771 31.173 -2.402 11451 14362 1 19 . 1 1 130 130 MET H H 130 8.945 8.945 8.452 0.493 11451 14363 1 19 . 1 1 131 131 ASP N N 131 117.183 117.183 119.206 -2.023 11451 14364 1 19 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.422 -0.177 11451 14365 1 19 . 1 1 131 131 ASP CA C 131 56.639 56.639 56.779 -0.140 11451 14366 1 19 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.571 -1.893 11451 14367 1 19 . 1 1 131 131 ASP H H 131 8.924 8.924 8.642 0.282 11451 14368 1 19 . 1 1 132 132 VAL N N 132 124.340 124.340 118.812 5.528 11451 14369 1 19 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.874 -0.435 11451 14370 1 19 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.123 0.892 11451 14371 1 19 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.996 -1.215 11451 14372 1 19 . 1 1 132 132 VAL H H 132 7.222 7.222 7.572 -0.350 11451 14373 1 19 . 1 1 133 133 VAL N N 133 121.730 121.730 120.999 0.731 11451 14374 1 19 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.466 -0.448 11451 14375 1 19 . 1 1 133 133 VAL CA C 133 67.076 67.076 67.182 -0.106 11451 14376 1 19 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.367 -0.547 11451 14377 1 19 . 1 1 133 133 VAL H H 133 7.367 7.367 8.233 -0.866 11451 14378 1 19 . 1 1 134 134 ASP N N 134 117.555 117.555 117.216 0.339 11451 14379 1 19 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.403 -0.153 11451 14380 1 19 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.529 -0.266 11451 14381 1 19 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.194 -1.382 11451 14382 1 19 . 1 1 134 134 ASP H H 134 8.411 8.411 8.282 0.129 11451 14383 1 19 . 1 1 135 135 LYS N N 135 122.646 122.646 118.428 4.218 11451 14384 1 19 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.221 -0.220 11451 14385 1 19 . 1 1 135 135 LYS CA C 135 58.908 58.908 57.446 1.462 11451 14386 1 19 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.503 -0.493 11451 14387 1 19 . 1 1 135 135 LYS H H 135 7.418 7.418 7.391 0.027 11451 14388 1 19 . 1 1 136 136 ILE N N 136 121.613 121.613 120.131 1.482 11451 14389 1 19 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.431 -0.369 11451 14390 1 19 . 1 1 136 136 ILE CA C 136 65.307 65.307 65.501 -0.194 11451 14391 1 19 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.631 -0.332 11451 14392 1 19 . 1 1 136 136 ILE H H 136 8.075 8.075 8.356 -0.281 11451 14393 1 19 . 1 1 137 137 LYS N N 137 113.499 113.499 116.158 -2.659 11451 14394 1 19 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.060 -0.316 11451 14395 1 19 . 1 1 137 137 LYS CA C 137 57.888 57.888 58.109 -0.221 11451 14396 1 19 . 1 1 137 137 LYS CB C 137 31.355 31.355 31.960 -0.605 11451 14397 1 19 . 1 1 137 137 LYS H H 137 7.976 7.976 7.590 0.386 11451 14398 1 19 . 1 1 138 138 GLY N N 138 104.829 104.829 106.479 -1.650 11451 14399 1 19 . 1 1 138 138 GLY CA C 138 44.181 44.181 44.707 -0.526 11451 14400 1 19 . 1 1 138 138 GLY H H 138 6.858 6.858 7.604 -0.746 11451 14401 1 19 . 1 1 139 139 VAL N N 139 116.189 116.189 120.794 -4.605 11451 14402 1 19 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.790 0.293 11451 14403 1 19 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.775 -3.031 11451 14404 1 19 . 1 1 139 139 VAL CB C 139 32.850 32.850 32.332 0.518 11451 14405 1 19 . 1 1 139 139 VAL H H 139 7.220 7.220 7.661 -0.441 11451 14406 1 19 . 1 1 140 140 ALA N N 140 123.097 123.097 117.358 5.739 11451 14407 1 19 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.506 -0.224 11451 14408 1 19 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.071 0.779 11451 14409 1 19 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.385 -2.013 11451 14410 1 19 . 1 1 140 140 ALA H H 140 8.262 8.262 7.863 0.399 11451 14411 1 19 . 1 1 141 141 THR N N 141 113.326 113.326 112.504 0.822 11451 14412 1 19 . 1 1 141 141 THR HA H 141 4.925 4.925 4.656 0.269 11451 14413 1 19 . 1 1 141 141 THR CA C 141 59.382 59.382 60.549 -1.167 11451 14414 1 19 . 1 1 141 141 THR CB C 141 73.286 73.286 71.432 1.854 11451 14415 1 19 . 1 1 141 141 THR H H 141 8.278 8.278 8.180 0.098 11451 14416 1 19 . 1 1 142 142 GLY N N 142 107.299 107.299 110.942 -3.643 11451 14417 1 19 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.736 -0.564 11451 14418 1 19 . 1 1 142 142 GLY H H 142 8.484 8.484 8.423 0.061 11451 14419 1 19 . 1 1 143 143 ARG N N 143 120.230 120.230 122.234 -2.004 11451 14420 1 19 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.256 0.541 11451 14421 1 19 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.464 -1.264 11451 14422 1 19 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.785 0.567 11451 14423 1 19 . 1 1 143 143 ARG H H 143 8.185 8.185 8.086 0.099 11451 14424 1 19 . 1 1 144 144 SER N N 144 119.429 119.429 119.936 -0.507 11451 14425 1 19 . 1 1 144 144 SER HA H 144 4.466 4.466 4.631 -0.165 11451 14426 1 19 . 1 1 144 144 SER CA C 144 56.856 56.856 57.292 -0.436 11451 14427 1 19 . 1 1 144 144 SER CB C 144 63.174 63.174 65.424 -2.250 11451 14428 1 19 . 1 1 144 144 SER H H 144 8.427 8.427 8.549 -0.122 11451 14429 1 19 . 1 1 145 145 GLY N N 145 117.736 117.736 107.878 9.858 11451 14430 1 19 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.249 0.437 11451 14431 1 19 . 1 1 145 145 GLY H H 145 8.902 8.902 8.890 0.012 11451 14432 1 19 . 1 1 146 146 MET N N 146 125.723 125.723 117.729 7.994 11451 14433 1 19 . 1 1 146 146 MET HA H 146 4.315 4.315 4.412 -0.097 11451 14434 1 19 . 1 1 146 146 MET CA C 146 55.431 55.431 56.176 -0.745 11451 14435 1 19 . 1 1 146 146 MET H H 146 8.827 8.827 7.403 1.424 11451 14436 1 19 . 1 1 147 147 HIS N N 147 121.581 121.581 116.092 5.489 11451 14437 1 19 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.800 -0.376 11451 14438 1 19 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.431 0.644 11451 14439 1 19 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.771 -1.178 11451 14440 1 19 . 1 1 147 147 HIS H H 147 8.010 8.010 8.095 -0.085 11451 14441 1 19 . 1 1 148 148 GLN N N 148 121.305 121.305 122.838 -1.533 11451 14442 1 19 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.480 -0.010 11451 14443 1 19 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.070 -0.606 11451 14444 1 19 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.946 0.745 11451 14445 1 19 . 1 1 148 148 GLN H H 148 8.681 8.681 8.624 0.057 11451 14446 1 19 . 1 1 149 149 ASP N N 149 117.085 117.085 117.547 -0.462 11451 14447 1 19 . 1 1 149 149 ASP CB C 149 39.479 39.479 38.634 0.845 11451 14448 1 19 . 1 1 149 149 ASP H H 149 8.635 8.635 8.876 -0.241 11451 14449 1 19 . 1 1 150 150 VAL N N 150 120.313 120.313 111.142 9.171 11451 14450 1 19 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.777 -0.398 11451 14451 1 19 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.011 1.157 11451 14452 1 19 . 1 1 150 150 VAL CB C 150 33.080 33.080 34.249 -1.169 11451 14453 1 19 . 1 1 150 150 VAL H H 150 8.470 8.470 7.585 0.885 11451 14454 1 19 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.704 -0.290 11451 14455 1 19 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.804 1.132 11451 14456 1 19 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.444 -0.268 11451 14457 1 19 . 1 1 152 152 LYS N N 152 125.675 125.675 120.460 5.215 11451 14458 1 19 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.209 -0.338 11451 14459 1 19 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.333 1.268 11451 14460 1 19 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.402 -0.617 11451 14461 1 19 . 1 1 152 152 LYS H H 152 8.169 8.169 8.540 -0.371 11451 14462 1 19 . 1 1 153 153 GLU N N 153 119.081 119.081 120.960 -1.879 11451 14463 1 19 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.347 0.048 11451 14464 1 19 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.211 -0.995 11451 14465 1 19 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.740 -0.002 11451 14466 1 19 . 1 1 153 153 GLU H H 153 7.960 7.960 8.031 -0.071 11451 14467 1 19 . 1 1 154 154 ASP N N 154 121.884 121.884 121.111 0.773 11451 14468 1 19 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.598 -0.366 11451 14469 1 19 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.770 2.329 11451 14470 1 19 . 1 1 154 154 ASP CB C 154 40.540 40.540 40.470 0.070 11451 14471 1 19 . 1 1 154 154 ASP H H 154 8.149 8.149 8.584 -0.435 11451 14472 1 19 . 1 1 155 155 VAL N N 155 129.777 129.777 124.810 4.967 11451 14473 1 19 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.400 0.039 11451 14474 1 19 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.683 0.628 11451 14475 1 19 . 1 1 155 155 VAL CB C 155 31.469 31.469 31.471 -0.003 11451 14476 1 19 . 1 1 155 155 VAL H H 155 10.043 10.043 8.379 1.664 11451 14477 1 19 . 1 1 156 156 ILE N N 156 125.807 125.807 125.280 0.527 11451 14478 1 19 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.084 -0.672 11451 14479 1 19 . 1 1 156 156 ILE CA C 156 60.685 60.685 59.105 1.580 11451 14480 1 19 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.355 0.559 11451 14481 1 19 . 1 1 156 156 ILE H H 156 8.252 8.252 9.189 -0.937 11451 14482 1 19 . 1 1 157 157 ILE N N 157 126.581 126.581 124.947 1.634 11451 14483 1 19 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.224 -0.545 11451 14484 1 19 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.779 0.726 11451 14485 1 19 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.695 -0.323 11451 14486 1 19 . 1 1 157 157 ILE H H 157 9.168 9.168 8.936 0.232 11451 14487 1 19 . 1 1 158 158 GLU N N 158 130.185 130.185 128.796 1.389 11451 14488 1 19 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.230 -0.190 11451 14489 1 19 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.849 0.057 11451 14490 1 19 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.718 -0.720 11451 14491 1 19 . 1 1 158 158 GLU H H 158 8.910 8.910 8.673 0.237 11451 14492 1 19 . 1 1 159 159 SER N N 159 108.037 108.037 111.395 -3.358 11451 14493 1 19 . 1 1 159 159 SER HA H 159 4.399 4.399 4.857 -0.458 11451 14494 1 19 . 1 1 159 159 SER CA C 159 57.505 57.505 57.505 0.000 11451 14495 1 19 . 1 1 159 159 SER CB C 159 64.403 64.403 65.022 -0.619 11451 14496 1 19 . 1 1 159 159 SER H H 159 7.772 7.772 8.406 -0.634 11451 14497 1 19 . 1 1 160 160 VAL N N 160 119.790 119.790 121.449 -1.659 11451 14498 1 19 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.386 -0.211 11451 14499 1 19 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.409 0.156 11451 14500 1 19 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.505 -0.490 11451 14501 1 19 . 1 1 160 160 VAL H H 160 7.681 7.681 8.245 -0.564 11451 14502 1 19 . 1 1 161 161 THR N N 161 122.628 122.628 121.293 1.335 11451 14503 1 19 . 1 1 161 161 THR HA H 161 4.662 4.662 4.683 -0.021 11451 14504 1 19 . 1 1 161 161 THR CA C 161 61.452 61.452 61.073 0.379 11451 14505 1 19 . 1 1 161 161 THR CB C 161 70.781 70.781 72.062 -1.281 11451 14506 1 19 . 1 1 161 161 THR H H 161 8.817 8.817 9.164 -0.347 11451 14507 1 19 . 1 1 162 162 VAL N N 162 129.304 129.304 126.746 2.558 11451 14508 1 19 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.415 0.072 11451 14509 1 19 . 1 1 162 162 VAL CA C 162 61.757 61.757 61.837 -0.080 11451 14510 1 19 . 1 1 162 162 VAL CB C 162 32.482 32.482 31.472 1.010 11451 14511 1 19 . 1 1 162 162 VAL H H 162 9.075 9.075 8.592 0.483 11451 14512 1 19 . 1 1 163 163 SER N N 163 123.979 123.979 124.025 -0.046 11451 14513 1 19 . 1 1 163 163 SER HA H 163 4.601 4.601 4.738 -0.137 11451 14514 1 19 . 1 1 163 163 SER CA C 163 57.521 57.521 56.439 1.082 11451 14515 1 19 . 1 1 163 163 SER CB C 163 64.409 64.409 64.924 -0.516 11451 14516 1 19 . 1 1 163 163 SER H H 163 8.727 8.727 8.804 -0.077 11451 14517 1 20 . 1 1 2 2 VAL N N 2 123.776 123.776 120.256 3.520 11451 14518 1 20 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.796 -0.021 11451 14519 1 20 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.581 0.443 11451 14520 1 20 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.205 0.926 11451 14521 1 20 . 1 1 2 2 VAL H H 2 8.961 8.961 8.874 0.087 11451 14522 1 20 . 1 1 3 3 THR N N 3 121.749 121.749 124.457 -2.708 11451 14523 1 20 . 1 1 3 3 THR HA H 3 5.053 5.053 4.843 0.210 11451 14524 1 20 . 1 1 3 3 THR CA C 3 61.176 61.176 61.847 -0.671 11451 14525 1 20 . 1 1 3 3 THR CB C 3 70.356 70.356 69.551 0.805 11451 14526 1 20 . 1 1 3 3 THR H H 3 8.912 8.912 9.147 -0.235 11451 14527 1 20 . 1 1 4 4 PHE N N 4 125.726 125.726 126.771 -1.045 11451 14528 1 20 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.970 -0.175 11451 14529 1 20 . 1 1 4 4 PHE CA C 4 54.011 54.011 54.972 -0.961 11451 14530 1 20 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.844 -1.123 11451 14531 1 20 . 1 1 4 4 PHE H H 4 9.442 9.442 9.079 0.363 11451 14532 1 20 . 1 1 5 5 HIS N N 5 125.337 125.337 124.090 1.247 11451 14533 1 20 . 1 1 5 5 HIS HA H 5 5.349 5.349 4.942 0.407 11451 14534 1 20 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.640 -1.332 11451 14535 1 20 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.137 -3.620 11451 14536 1 20 . 1 1 5 5 HIS H H 5 8.897 8.897 9.320 -0.423 11451 14537 1 20 . 1 1 6 6 THR N N 6 115.752 115.752 115.581 0.171 11451 14538 1 20 . 1 1 6 6 THR HA H 6 6.126 6.126 5.014 1.112 11451 14539 1 20 . 1 1 6 6 THR CA C 6 60.220 60.220 58.499 1.721 11451 14540 1 20 . 1 1 6 6 THR CB C 6 72.515 72.515 71.218 1.297 11451 14541 1 20 . 1 1 6 6 THR H H 6 7.881 7.881 8.189 -0.308 11451 14542 1 20 . 1 1 7 7 ASN N N 7 119.451 119.451 119.757 -0.306 11451 14543 1 20 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.599 -0.024 11451 14544 1 20 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.487 0.006 11451 14545 1 20 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.515 -3.181 11451 14546 1 20 . 1 1 7 7 ASN H H 7 9.334 9.334 8.703 0.631 11451 14547 1 20 . 1 1 8 8 HIS N N 8 118.490 118.490 116.380 2.110 11451 14548 1 20 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.706 -0.215 11451 14549 1 20 . 1 1 8 8 HIS CA C 8 56.790 56.790 55.627 1.163 11451 14550 1 20 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.603 1.031 11451 14551 1 20 . 1 1 8 8 HIS H H 8 8.663 8.663 7.256 1.407 11451 14552 1 20 . 1 1 9 9 GLY N N 9 108.550 108.550 108.277 0.273 11451 14553 1 20 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.638 -1.038 11451 14554 1 20 . 1 1 9 9 GLY H H 9 7.320 7.320 7.664 -0.344 11451 14555 1 20 . 1 1 10 10 ASP N N 10 123.900 123.900 123.007 0.893 11451 14556 1 20 . 1 1 10 10 ASP HA H 10 5.620 5.620 4.819 0.801 11451 14557 1 20 . 1 1 10 10 ASP CA C 10 54.310 54.310 55.216 -0.906 11451 14558 1 20 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.322 0.178 11451 14559 1 20 . 1 1 10 10 ASP H H 10 8.857 8.857 8.413 0.444 11451 14560 1 20 . 1 1 11 11 ILE N N 11 121.150 121.150 124.234 -3.084 11451 14561 1 20 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.653 -0.317 11451 14562 1 20 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.190 1.086 11451 14563 1 20 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.366 -0.707 11451 14564 1 20 . 1 1 11 11 ILE H H 11 8.638 8.638 8.671 -0.033 11451 14565 1 20 . 1 1 12 12 VAL N N 12 129.487 129.487 124.487 5.000 11451 14566 1 20 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.825 -0.294 11451 14567 1 20 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.611 1.699 11451 14568 1 20 . 1 1 12 12 VAL CB C 12 32.242 32.242 35.088 -2.846 11451 14569 1 20 . 1 1 12 12 VAL H H 12 8.771 8.771 8.752 0.019 11451 14570 1 20 . 1 1 13 13 ILE N N 13 127.702 127.702 125.669 2.033 11451 14571 1 20 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.812 -0.142 11451 14572 1 20 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.498 0.240 11451 14573 1 20 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.654 -0.095 11451 14574 1 20 . 1 1 13 13 ILE H H 13 9.527 9.527 9.023 0.504 11451 14575 1 20 . 1 1 14 14 LYS N N 14 126.574 126.574 126.360 0.214 11451 14576 1 20 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.633 0.144 11451 14577 1 20 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.439 -0.596 11451 14578 1 20 . 1 1 14 14 LYS CB C 14 35.500 35.500 35.260 0.240 11451 14579 1 20 . 1 1 14 14 LYS H H 14 8.684 8.684 8.727 -0.043 11451 14580 1 20 . 1 1 15 15 THR N N 15 113.811 113.811 117.591 -3.780 11451 14581 1 20 . 1 1 15 15 THR HA H 15 4.130 4.130 4.203 -0.073 11451 14582 1 20 . 1 1 15 15 THR CA C 15 59.806 59.806 60.734 -0.928 11451 14583 1 20 . 1 1 15 15 THR CB C 15 69.319 69.319 69.652 -0.333 11451 14584 1 20 . 1 1 15 15 THR H H 15 8.343 8.343 8.388 -0.045 11451 14585 1 20 . 1 1 16 16 PHE N N 16 122.611 122.611 123.840 -1.229 11451 14586 1 20 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.745 0.530 11451 14587 1 20 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.749 -1.459 11451 14588 1 20 . 1 1 16 16 PHE CB C 16 36.370 36.370 37.029 -0.659 11451 14589 1 20 . 1 1 16 16 PHE H H 16 8.315 8.315 8.836 -0.521 11451 14590 1 20 . 1 1 17 17 ASP N N 17 120.182 120.182 122.993 -2.811 11451 14591 1 20 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.559 -0.797 11451 14592 1 20 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.485 0.473 11451 14593 1 20 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.954 -2.005 11451 14594 1 20 . 1 1 17 17 ASP H H 17 9.106 9.106 8.300 0.806 11451 14595 1 20 . 1 1 18 18 ASP N N 18 111.686 111.686 117.748 -6.062 11451 14596 1 20 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.573 -0.198 11451 14597 1 20 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.124 -1.101 11451 14598 1 20 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.833 -1.070 11451 14599 1 20 . 1 1 18 18 ASP H H 18 8.584 8.584 8.776 -0.192 11451 14600 1 20 . 1 1 19 19 LYS N N 19 118.003 118.003 116.473 1.530 11451 14601 1 20 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.444 -0.008 11451 14602 1 20 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.650 -0.263 11451 14603 1 20 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.757 0.110 11451 14604 1 20 . 1 1 19 19 LYS H H 19 7.333 7.333 7.391 -0.058 11451 14605 1 20 . 1 1 20 20 ALA N N 20 123.657 123.657 121.588 2.069 11451 14606 1 20 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.031 -0.413 11451 14607 1 20 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.963 -0.846 11451 14608 1 20 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.829 -0.594 11451 14609 1 20 . 1 1 20 20 ALA H H 20 7.560 7.560 8.222 -0.662 11451 14610 1 20 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.276 0.148 11451 14611 1 20 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.679 0.598 11451 14612 1 20 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.791 -0.283 11451 14613 1 20 . 1 1 22 22 GLU N N 22 122.557 122.557 118.185 4.372 11451 14614 1 20 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.150 -0.138 11451 14615 1 20 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.216 0.408 11451 14616 1 20 . 1 1 22 22 GLU CB C 22 28.480 28.480 29.011 -0.531 11451 14617 1 20 . 1 1 22 22 GLU H H 22 9.855 9.855 8.115 1.740 11451 14618 1 20 . 1 1 23 23 THR N N 23 122.201 122.201 117.563 4.638 11451 14619 1 20 . 1 1 23 23 THR HA H 23 3.584 3.584 4.086 -0.502 11451 14620 1 20 . 1 1 23 23 THR CA C 23 66.554 66.554 66.898 -0.344 11451 14621 1 20 . 1 1 23 23 THR CB C 23 67.614 67.614 68.793 -1.179 11451 14622 1 20 . 1 1 23 23 THR H H 23 9.390 9.390 8.752 0.638 11451 14623 1 20 . 1 1 24 24 VAL N N 24 125.111 125.111 121.642 3.469 11451 14624 1 20 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.768 -0.283 11451 14625 1 20 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.988 1.319 11451 14626 1 20 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.236 -0.347 11451 14627 1 20 . 1 1 24 24 VAL H H 24 9.359 9.359 8.619 0.740 11451 14628 1 20 . 1 1 25 25 LYS N N 25 121.050 121.050 120.198 0.852 11451 14629 1 20 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.977 -0.109 11451 14630 1 20 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.418 0.821 11451 14631 1 20 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.924 -0.227 11451 14632 1 20 . 1 1 25 25 LYS H H 25 7.686 7.686 8.431 -0.745 11451 14633 1 20 . 1 1 26 26 ASN N N 26 116.337 116.337 117.514 -1.177 11451 14634 1 20 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.444 -0.388 11451 14635 1 20 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.151 0.407 11451 14636 1 20 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.504 2.188 11451 14637 1 20 . 1 1 26 26 ASN H H 26 7.535 7.535 7.804 -0.269 11451 14638 1 20 . 1 1 27 27 PHE N N 27 119.858 119.858 121.988 -2.130 11451 14639 1 20 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.417 0.122 11451 14640 1 20 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.465 -0.532 11451 14641 1 20 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.133 0.698 11451 14642 1 20 . 1 1 27 27 PHE H H 27 7.867 7.867 8.182 -0.315 11451 14643 1 20 . 1 1 28 28 LEU N N 28 120.761 120.761 120.018 0.743 11451 14644 1 20 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.824 -0.081 11451 14645 1 20 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.100 -0.232 11451 14646 1 20 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.364 -0.110 11451 14647 1 20 . 1 1 28 28 LEU H H 28 9.377 9.377 8.763 0.614 11451 14648 1 20 . 1 1 29 29 ASP N N 29 121.607 121.607 119.220 2.387 11451 14649 1 20 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.303 -0.008 11451 14650 1 20 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.596 0.233 11451 14651 1 20 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.312 -1.286 11451 14652 1 20 . 1 1 29 29 ASP H H 29 8.374 8.374 8.508 -0.134 11451 14653 1 20 . 1 1 30 30 TYR N N 30 118.959 118.959 119.379 -0.420 11451 14654 1 20 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.209 -0.204 11451 14655 1 20 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.387 0.360 11451 14656 1 20 . 1 1 30 30 TYR CB C 30 37.739 37.739 37.945 -0.206 11451 14657 1 20 . 1 1 30 30 TYR H H 30 7.287 7.287 7.364 -0.077 11451 14658 1 20 . 1 1 31 31 CYS N N 31 116.202 116.202 118.361 -2.159 11451 14659 1 20 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.172 -0.138 11451 14660 1 20 . 1 1 31 31 CYS CA C 31 64.403 64.403 64.230 0.173 11451 14661 1 20 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.264 -0.043 11451 14662 1 20 . 1 1 31 31 CYS H H 31 8.336 8.336 8.181 0.155 11451 14663 1 20 . 1 1 32 32 ARG N N 32 121.949 121.949 120.821 1.128 11451 14664 1 20 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.036 -0.174 11451 14665 1 20 . 1 1 32 32 ARG CA C 32 59.719 59.719 59.175 0.544 11451 14666 1 20 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.315 0.059 11451 14667 1 20 . 1 1 32 32 ARG H H 32 9.077 9.077 8.370 0.707 11451 14668 1 20 . 1 1 33 33 GLU N N 33 116.667 116.667 116.064 0.603 11451 14669 1 20 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.315 -0.128 11451 14670 1 20 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.335 0.113 11451 14671 1 20 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.782 -0.524 11451 14672 1 20 . 1 1 33 33 GLU H H 33 7.920 7.920 7.879 0.041 11451 14673 1 20 . 1 1 34 34 GLY N N 34 107.273 107.273 107.063 0.210 11451 14674 1 20 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.170 0.228 11451 14675 1 20 . 1 1 34 34 GLY H H 34 7.533 7.533 7.976 -0.443 11451 14676 1 20 . 1 1 35 35 PHE N N 35 122.134 122.134 121.974 0.160 11451 14677 1 20 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.032 -0.367 11451 14678 1 20 . 1 1 35 35 PHE CA C 35 61.605 61.605 61.722 -0.117 11451 14679 1 20 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.371 0.699 11451 14680 1 20 . 1 1 35 35 PHE H H 35 8.129 8.129 8.217 -0.088 11451 14681 1 20 . 1 1 36 36 TYR N N 36 111.250 111.250 113.878 -2.628 11451 14682 1 20 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.290 0.034 11451 14683 1 20 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.363 -0.685 11451 14684 1 20 . 1 1 36 36 TYR CB C 36 37.460 37.460 37.886 -0.426 11451 14685 1 20 . 1 1 36 36 TYR H H 36 7.355 7.355 8.412 -1.057 11451 14686 1 20 . 1 1 37 37 ASN N N 37 121.890 121.890 119.937 1.953 11451 14687 1 20 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.557 -0.732 11451 14688 1 20 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.028 0.151 11451 14689 1 20 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.060 -2.205 11451 14690 1 20 . 1 1 37 37 ASN H H 37 7.106 7.106 7.664 -0.558 11451 14691 1 20 . 1 1 38 38 ASN N N 38 121.572 121.572 118.463 3.109 11451 14692 1 20 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.397 -0.349 11451 14693 1 20 . 1 1 38 38 ASN CA C 38 54.720 54.720 54.353 0.367 11451 14694 1 20 . 1 1 38 38 ASN CB C 38 38.538 38.538 37.592 0.946 11451 14695 1 20 . 1 1 38 38 ASN H H 38 9.235 9.235 8.433 0.802 11451 14696 1 20 . 1 1 39 39 THR N N 39 104.540 104.540 107.780 -3.240 11451 14697 1 20 . 1 1 39 39 THR HA H 39 5.006 5.006 5.250 -0.244 11451 14698 1 20 . 1 1 39 39 THR CA C 39 59.979 59.979 59.922 0.056 11451 14699 1 20 . 1 1 39 39 THR CB C 39 72.789 72.789 71.579 1.210 11451 14700 1 20 . 1 1 39 39 THR H H 39 7.328 7.328 7.553 -0.225 11451 14701 1 20 . 1 1 40 40 ILE N N 40 108.904 108.904 116.170 -7.266 11451 14702 1 20 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.074 0.595 11451 14703 1 20 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.573 0.227 11451 14704 1 20 . 1 1 40 40 ILE CB C 40 39.724 39.724 41.461 -1.736 11451 14705 1 20 . 1 1 40 40 ILE H H 40 7.943 7.943 8.688 -0.745 11451 14706 1 20 . 1 1 41 41 PHE N N 41 122.068 122.068 123.749 -1.681 11451 14707 1 20 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.665 0.295 11451 14708 1 20 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.765 1.052 11451 14709 1 20 . 1 1 41 41 PHE CB C 41 37.410 37.410 36.929 0.481 11451 14710 1 20 . 1 1 41 41 PHE H H 41 8.289 8.289 8.817 -0.528 11451 14711 1 20 . 1 1 42 42 HIS N N 42 121.477 121.477 121.739 -0.262 11451 14712 1 20 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.169 0.107 11451 14713 1 20 . 1 1 42 42 HIS CA C 42 56.598 56.598 59.371 -2.773 11451 14714 1 20 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.780 0.883 11451 14715 1 20 . 1 1 42 42 HIS H H 42 7.862 7.862 7.782 0.080 11451 14716 1 20 . 1 1 43 43 ARG N N 43 123.403 123.403 117.402 6.001 11451 14717 1 20 . 1 1 43 43 ARG HA H 43 4.616 4.616 5.112 -0.496 11451 14718 1 20 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.625 0.693 11451 14719 1 20 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.316 -1.041 11451 14720 1 20 . 1 1 43 43 ARG H H 43 6.933 6.933 7.782 -0.849 11451 14721 1 20 . 1 1 44 44 VAL N N 44 129.359 129.359 125.990 3.369 11451 14722 1 20 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.506 -0.366 11451 14723 1 20 . 1 1 44 44 VAL CA C 44 62.374 62.374 61.237 1.137 11451 14724 1 20 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.945 -0.754 11451 14725 1 20 . 1 1 44 44 VAL H H 44 9.023 9.023 8.676 0.347 11451 14726 1 20 . 1 1 45 45 ILE N N 45 126.532 126.532 125.725 0.807 11451 14727 1 20 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.480 -0.244 11451 14728 1 20 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.669 0.795 11451 14729 1 20 . 1 1 45 45 ILE CB C 45 39.950 39.950 41.937 -1.987 11451 14730 1 20 . 1 1 45 45 ILE H H 45 8.243 8.243 7.951 0.292 11451 14731 1 20 . 1 1 46 46 ASN N N 46 128.015 128.015 127.711 0.304 11451 14732 1 20 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.534 -0.373 11451 14733 1 20 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.523 -0.182 11451 14734 1 20 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.594 -1.920 11451 14735 1 20 . 1 1 46 46 ASN H H 46 9.127 9.127 8.818 0.309 11451 14736 1 20 . 1 1 47 47 GLY N N 47 110.314 110.314 109.452 0.862 11451 14737 1 20 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.598 0.032 11451 14738 1 20 . 1 1 47 47 GLY H H 47 7.542 7.542 8.862 -1.320 11451 14739 1 20 . 1 1 48 48 PHE N N 48 116.701 116.701 118.696 -1.995 11451 14740 1 20 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.944 0.198 11451 14741 1 20 . 1 1 48 48 PHE CA C 48 57.500 57.500 55.522 1.978 11451 14742 1 20 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.443 -3.115 11451 14743 1 20 . 1 1 48 48 PHE H H 48 7.800 7.800 7.836 -0.036 11451 14744 1 20 . 1 1 49 49 MET N N 49 117.710 117.710 117.732 -0.022 11451 14745 1 20 . 1 1 49 49 MET HA H 49 5.027 5.027 4.556 0.471 11451 14746 1 20 . 1 1 49 49 MET CA C 49 55.009 55.009 53.153 1.856 11451 14747 1 20 . 1 1 49 49 MET CB C 49 35.120 35.120 33.507 1.613 11451 14748 1 20 . 1 1 49 49 MET H H 49 8.363 8.363 6.863 1.500 11451 14749 1 20 . 1 1 50 50 ILE N N 50 110.774 110.774 113.230 -2.456 11451 14750 1 20 . 1 1 50 50 ILE HA H 50 4.867 4.867 5.018 -0.151 11451 14751 1 20 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.275 0.460 11451 14752 1 20 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.847 -0.586 11451 14753 1 20 . 1 1 50 50 ILE H H 50 7.749 7.749 7.769 -0.020 11451 14754 1 20 . 1 1 51 51 GLN N N 51 127.997 127.997 125.417 2.580 11451 14755 1 20 . 1 1 51 51 GLN HA H 51 5.201 5.201 5.068 0.133 11451 14756 1 20 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.901 0.151 11451 14757 1 20 . 1 1 51 51 GLN CB C 51 31.684 31.684 33.176 -1.492 11451 14758 1 20 . 1 1 51 51 GLN H H 51 9.198 9.198 8.643 0.555 11451 14759 1 20 . 1 1 52 52 GLY N N 52 111.413 111.413 108.947 2.466 11451 14760 1 20 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.249 1.044 11451 14761 1 20 . 1 1 52 52 GLY H H 52 8.037 8.037 8.462 -0.425 11451 14762 1 20 . 1 1 53 53 GLY N N 53 106.177 106.177 107.242 -1.065 11451 14763 1 20 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.190 -0.113 11451 14764 1 20 . 1 1 53 53 GLY H H 53 8.334 8.334 8.431 -0.097 11451 14765 1 20 . 1 1 54 54 GLY N N 54 129.939 129.939 106.570 23.369 11451 14766 1 20 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.708 -0.296 11451 14767 1 20 . 1 1 54 54 GLY H H 54 9.068 9.068 8.539 0.529 11451 14768 1 20 . 1 1 55 55 PHE N N 55 121.195 121.195 116.452 4.743 11451 14769 1 20 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.212 -0.325 11451 14770 1 20 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.080 0.619 11451 14771 1 20 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.805 -0.959 11451 14772 1 20 . 1 1 55 55 PHE H H 55 9.329 9.329 7.400 1.929 11451 14773 1 20 . 1 1 56 56 GLU N N 56 120.126 120.126 119.721 0.405 11451 14774 1 20 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.127 -0.279 11451 14775 1 20 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.353 0.846 11451 14776 1 20 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.289 -0.837 11451 14777 1 20 . 1 1 56 56 GLU H H 56 8.531 8.531 8.277 0.254 11451 14778 1 20 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.354 -0.364 11451 14779 1 20 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.434 0.429 11451 14780 1 20 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.617 -0.749 11451 14781 1 20 . 1 1 58 58 GLY N N 58 113.477 113.477 104.733 8.744 11451 14782 1 20 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.354 0.012 11451 14783 1 20 . 1 1 58 58 GLY H H 58 9.454 9.454 8.059 1.395 11451 14784 1 20 . 1 1 59 59 MET N N 59 114.007 114.007 116.051 -2.044 11451 14785 1 20 . 1 1 59 59 MET HA H 59 3.946 3.946 3.868 0.078 11451 14786 1 20 . 1 1 59 59 MET CA C 59 54.650 54.650 55.901 -1.252 11451 14787 1 20 . 1 1 59 59 MET CB C 59 25.875 25.875 29.093 -3.219 11451 14788 1 20 . 1 1 59 59 MET H H 59 8.027 8.027 7.924 0.103 11451 14789 1 20 . 1 1 60 60 LYS N N 60 120.420 120.420 120.604 -0.184 11451 14790 1 20 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.405 0.061 11451 14791 1 20 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.955 -0.997 11451 14792 1 20 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.669 -0.359 11451 14793 1 20 . 1 1 60 60 LYS H H 60 6.996 6.996 7.660 -0.664 11451 14794 1 20 . 1 1 61 61 GLN N N 61 130.250 130.250 126.348 3.902 11451 14795 1 20 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.156 -0.770 11451 14796 1 20 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.648 0.131 11451 14797 1 20 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.385 -0.944 11451 14798 1 20 . 1 1 61 61 GLN H H 61 8.965 8.965 8.793 0.172 11451 14799 1 20 . 1 1 62 62 LYS N N 62 126.196 126.196 126.271 -0.075 11451 14800 1 20 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.185 -0.055 11451 14801 1 20 . 1 1 62 62 LYS CA C 62 56.690 56.690 56.066 0.624 11451 14802 1 20 . 1 1 62 62 LYS CB C 62 32.772 32.772 33.031 -0.259 11451 14803 1 20 . 1 1 62 62 LYS H H 62 7.323 7.323 7.655 -0.332 11451 14804 1 20 . 1 1 63 63 ALA N N 63 127.588 127.588 124.132 3.456 11451 14805 1 20 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.642 -0.358 11451 14806 1 20 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.257 1.388 11451 14807 1 20 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.830 0.543 11451 14808 1 20 . 1 1 63 63 ALA H H 63 8.458 8.458 8.719 -0.261 11451 14809 1 20 . 1 1 64 64 THR N N 64 111.370 111.370 114.678 -3.308 11451 14810 1 20 . 1 1 64 64 THR HA H 64 4.550 4.550 4.366 0.184 11451 14811 1 20 . 1 1 64 64 THR CA C 64 60.554 60.554 62.669 -2.115 11451 14812 1 20 . 1 1 64 64 THR CB C 64 71.700 71.700 68.807 2.893 11451 14813 1 20 . 1 1 64 64 THR H H 64 8.122 8.122 7.814 0.308 11451 14814 1 20 . 1 1 65 65 LYS N N 65 118.451 118.451 126.873 -8.422 11451 14815 1 20 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.465 -0.046 11451 14816 1 20 . 1 1 65 65 LYS CA C 65 55.346 55.346 54.972 0.374 11451 14817 1 20 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.742 -3.260 11451 14818 1 20 . 1 1 65 65 LYS H H 65 7.879 7.879 8.444 -0.565 11451 14819 1 20 . 1 1 66 66 GLU N N 66 118.805 118.805 118.934 -0.129 11451 14820 1 20 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.097 0.060 11451 14821 1 20 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.231 -0.349 11451 14822 1 20 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.228 0.122 11451 14823 1 20 . 1 1 66 66 GLU H H 66 7.872 7.872 8.543 -0.671 11451 14824 1 20 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.640 0.214 11451 14825 1 20 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.039 -0.884 11451 14826 1 20 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.384 0.306 11451 14827 1 20 . 1 1 68 68 ILE N N 68 112.686 112.686 121.611 -8.925 11451 14828 1 20 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.489 -0.052 11451 14829 1 20 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.968 -0.997 11451 14830 1 20 . 1 1 68 68 ILE CB C 68 41.525 41.525 39.680 1.845 11451 14831 1 20 . 1 1 68 68 ILE H H 68 8.235 8.235 8.853 -0.618 11451 14832 1 20 . 1 1 69 69 LYS N N 69 121.199 121.199 123.561 -2.362 11451 14833 1 20 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.654 -0.713 11451 14834 1 20 . 1 1 69 69 LYS CA C 69 55.060 55.060 54.883 0.177 11451 14835 1 20 . 1 1 69 69 LYS CB C 69 32.140 32.140 33.458 -1.318 11451 14836 1 20 . 1 1 69 69 LYS H H 69 7.849 7.849 8.294 -0.445 11451 14837 1 20 . 1 1 70 70 ASN N N 70 126.585 126.585 119.348 7.237 11451 14838 1 20 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.723 -0.501 11451 14839 1 20 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.712 -0.384 11451 14840 1 20 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.959 -1.822 11451 14841 1 20 . 1 1 70 70 ASN H H 70 10.816 10.816 8.892 1.924 11451 14842 1 20 . 1 1 71 71 GLU N N 71 126.223 126.223 123.860 2.363 11451 14843 1 20 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.652 0.001 11451 14844 1 20 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.799 -1.202 11451 14845 1 20 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.661 0.119 11451 14846 1 20 . 1 1 71 71 GLU H H 71 8.202 8.202 8.817 -0.615 11451 14847 1 20 . 1 1 72 72 ALA N N 72 120.736 120.736 123.630 -2.894 11451 14848 1 20 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.245 -0.013 11451 14849 1 20 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.771 0.349 11451 14850 1 20 . 1 1 72 72 ALA CB C 72 18.506 18.506 18.957 -0.451 11451 14851 1 20 . 1 1 72 72 ALA H H 72 9.149 9.149 8.756 0.393 11451 14852 1 20 . 1 1 73 73 ASN N N 73 114.744 114.744 117.323 -2.579 11451 14853 1 20 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.718 0.463 11451 14854 1 20 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.517 -1.186 11451 14855 1 20 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.129 -1.453 11451 14856 1 20 . 1 1 73 73 ASN H H 73 7.892 7.892 8.534 -0.642 11451 14857 1 20 . 1 1 74 74 ASN N N 74 119.796 119.796 117.800 1.996 11451 14858 1 20 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.492 -0.113 11451 14859 1 20 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.022 -0.255 11451 14860 1 20 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.218 0.197 11451 14861 1 20 . 1 1 74 74 ASN H H 74 8.408 8.408 7.384 1.024 11451 14862 1 20 . 1 1 75 75 GLY N N 75 108.891 108.891 107.894 0.997 11451 14863 1 20 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.391 0.236 11451 14864 1 20 . 1 1 75 75 GLY H H 75 7.971 7.971 7.757 0.214 11451 14865 1 20 . 1 1 76 76 LEU N N 76 120.602 120.602 120.704 -0.102 11451 14866 1 20 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.268 0.043 11451 14867 1 20 . 1 1 76 76 LEU CA C 76 54.599 54.599 55.116 -0.517 11451 14868 1 20 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.438 -1.350 11451 14869 1 20 . 1 1 76 76 LEU H H 76 7.734 7.734 8.100 -0.366 11451 14870 1 20 . 1 1 77 77 LYS N N 77 121.982 121.982 118.756 3.226 11451 14871 1 20 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.764 -0.314 11451 14872 1 20 . 1 1 77 77 LYS CA C 77 55.001 55.001 55.029 -0.028 11451 14873 1 20 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.421 -0.721 11451 14874 1 20 . 1 1 77 77 LYS H H 77 8.161 8.161 8.240 -0.079 11451 14875 1 20 . 1 1 78 78 ASN N N 78 124.764 124.764 124.489 0.275 11451 14876 1 20 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.015 -0.348 11451 14877 1 20 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.160 1.154 11451 14878 1 20 . 1 1 78 78 ASN CB C 78 37.130 37.130 38.096 -0.966 11451 14879 1 20 . 1 1 78 78 ASN H H 78 9.564 9.564 9.465 0.099 11451 14880 1 20 . 1 1 79 79 THR N N 79 114.955 114.955 112.728 2.227 11451 14881 1 20 . 1 1 79 79 THR HA H 79 4.263 4.263 4.725 -0.462 11451 14882 1 20 . 1 1 79 79 THR CA C 79 60.774 60.774 60.247 0.527 11451 14883 1 20 . 1 1 79 79 THR CB C 79 70.347 70.347 70.886 -0.539 11451 14884 1 20 . 1 1 79 79 THR H H 79 8.190 8.190 7.995 0.195 11451 14885 1 20 . 1 1 80 80 ARG N N 80 124.080 124.080 123.906 0.174 11451 14886 1 20 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.945 -0.742 11451 14887 1 20 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.856 0.631 11451 14888 1 20 . 1 1 80 80 ARG CB C 80 28.909 28.909 30.034 -1.125 11451 14889 1 20 . 1 1 80 80 ARG H H 80 9.203 9.203 9.084 0.119 11451 14890 1 20 . 1 1 81 81 GLY N N 81 115.741 115.741 115.670 0.071 11451 14891 1 20 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.163 -0.092 11451 14892 1 20 . 1 1 81 81 GLY H H 81 8.976 8.976 9.319 -0.343 11451 14893 1 20 . 1 1 82 82 THR N N 82 110.362 110.362 112.253 -1.891 11451 14894 1 20 . 1 1 82 82 THR HA H 82 4.623 4.623 4.629 -0.006 11451 14895 1 20 . 1 1 82 82 THR CA C 82 61.694 61.694 60.045 1.649 11451 14896 1 20 . 1 1 82 82 THR CB C 82 72.230 72.230 71.362 0.868 11451 14897 1 20 . 1 1 82 82 THR H H 82 8.070 8.070 7.716 0.354 11451 14898 1 20 . 1 1 83 83 LEU N N 83 121.341 121.341 122.532 -1.191 11451 14899 1 20 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.216 0.003 11451 14900 1 20 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.958 0.392 11451 14901 1 20 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.538 -2.018 11451 14902 1 20 . 1 1 83 83 LEU H H 83 7.918 7.918 8.327 -0.409 11451 14903 1 20 . 1 1 84 84 ALA N N 84 121.663 121.663 124.078 -2.415 11451 14904 1 20 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.313 0.204 11451 14905 1 20 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.558 -0.489 11451 14906 1 20 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.719 1.266 11451 14907 1 20 . 1 1 84 84 ALA H H 84 8.053 8.053 8.031 0.022 11451 14908 1 20 . 1 1 85 85 MET N N 85 115.338 115.338 117.331 -1.993 11451 14909 1 20 . 1 1 85 85 MET HA H 85 5.241 5.241 4.971 0.270 11451 14910 1 20 . 1 1 85 85 MET CA C 85 52.707 52.707 55.264 -2.557 11451 14911 1 20 . 1 1 85 85 MET CB C 85 29.801 29.801 33.767 -3.966 11451 14912 1 20 . 1 1 85 85 MET H H 85 7.539 7.539 8.146 -0.607 11451 14913 1 20 . 1 1 86 86 ALA N N 86 126.558 126.558 125.316 1.242 11451 14914 1 20 . 1 1 86 86 ALA HA H 86 4.683 4.683 5.044 -0.361 11451 14915 1 20 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.007 0.201 11451 14916 1 20 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.862 -1.446 11451 14917 1 20 . 1 1 86 86 ALA H H 86 8.287 8.287 8.653 -0.366 11451 14918 1 20 . 1 1 87 87 ARG N N 87 113.623 113.623 119.018 -5.395 11451 14919 1 20 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.799 -0.165 11451 14920 1 20 . 1 1 87 87 ARG CA C 87 55.768 55.768 54.850 0.918 11451 14921 1 20 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.945 -3.223 11451 14922 1 20 . 1 1 87 87 ARG H H 87 8.031 8.031 8.355 -0.324 11451 14923 1 20 . 1 1 88 88 THR N N 88 111.627 111.627 115.534 -3.907 11451 14924 1 20 . 1 1 88 88 THR HA H 88 4.624 4.624 4.150 0.474 11451 14925 1 20 . 1 1 88 88 THR CA C 88 60.554 60.554 65.039 -4.485 11451 14926 1 20 . 1 1 88 88 THR CB C 88 68.430 68.430 69.478 -1.048 11451 14927 1 20 . 1 1 88 88 THR H H 88 7.892 7.892 8.695 -0.803 11451 14928 1 20 . 1 1 89 89 GLN N N 89 117.361 117.361 117.728 -0.367 11451 14929 1 20 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.390 -0.539 11451 14930 1 20 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.611 2.300 11451 14931 1 20 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.349 -1.979 11451 14932 1 20 . 1 1 89 89 GLN H H 89 8.188 8.188 8.303 -0.115 11451 14933 1 20 . 1 1 90 90 ALA N N 90 122.998 122.998 123.998 -1.000 11451 14934 1 20 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.525 -0.180 11451 14935 1 20 . 1 1 90 90 ALA CA C 90 49.726 49.726 51.041 -1.315 11451 14936 1 20 . 1 1 90 90 ALA CB C 90 17.174 17.174 17.978 -0.804 11451 14937 1 20 . 1 1 90 90 ALA H H 90 7.962 7.962 8.034 -0.072 11451 14938 1 20 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.910 -0.442 11451 14939 1 20 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.144 1.292 11451 14940 1 20 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.380 -1.411 11451 14941 1 20 . 1 1 92 92 HIS N N 92 118.470 118.470 114.251 4.219 11451 14942 1 20 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.954 -0.130 11451 14943 1 20 . 1 1 92 92 HIS CA C 92 54.201 54.201 54.700 -0.499 11451 14944 1 20 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.021 -0.713 11451 14945 1 20 . 1 1 92 92 HIS H H 92 7.977 7.977 7.942 0.035 11451 14946 1 20 . 1 1 93 93 SER N N 93 108.425 108.425 114.926 -6.501 11451 14947 1 20 . 1 1 93 93 SER HA H 93 4.380 4.380 4.634 -0.254 11451 14948 1 20 . 1 1 93 93 SER CA C 93 57.696 57.696 57.810 -0.114 11451 14949 1 20 . 1 1 93 93 SER CB C 93 65.924 65.924 63.839 2.085 11451 14950 1 20 . 1 1 93 93 SER H H 93 6.374 6.374 7.758 -1.384 11451 14951 1 20 . 1 1 94 94 ALA N N 94 130.109 130.109 124.043 6.066 11451 14952 1 20 . 1 1 94 94 ALA HA H 94 4.276 4.276 4.927 -0.651 11451 14953 1 20 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.474 2.699 11451 14954 1 20 . 1 1 94 94 ALA CB C 94 20.366 20.366 21.237 -0.871 11451 14955 1 20 . 1 1 94 94 ALA H H 94 8.543 8.543 7.360 1.183 11451 14956 1 20 . 1 1 95 95 THR N N 95 110.794 110.794 113.306 -2.512 11451 14957 1 20 . 1 1 95 95 THR HA H 95 4.722 4.722 4.701 0.021 11451 14958 1 20 . 1 1 95 95 THR CA C 95 59.725 59.725 63.042 -3.317 11451 14959 1 20 . 1 1 95 95 THR CB C 95 70.157 70.157 70.612 -0.455 11451 14960 1 20 . 1 1 95 95 THR H H 95 8.925 8.925 8.941 -0.016 11451 14961 1 20 . 1 1 96 96 ALA N N 96 121.615 121.615 121.882 -0.267 11451 14962 1 20 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.720 -0.293 11451 14963 1 20 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.577 -0.041 11451 14964 1 20 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.527 3.689 11451 14965 1 20 . 1 1 96 96 ALA H H 96 7.954 7.954 8.264 -0.310 11451 14966 1 20 . 1 1 97 97 GLN N N 97 115.548 115.548 120.152 -4.604 11451 14967 1 20 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.644 -0.015 11451 14968 1 20 . 1 1 97 97 GLN CA C 97 57.388 57.388 56.395 0.993 11451 14969 1 20 . 1 1 97 97 GLN CB C 97 30.757 30.757 29.328 1.429 11451 14970 1 20 . 1 1 97 97 GLN H H 97 7.866 7.866 8.017 -0.151 11451 14971 1 20 . 1 1 98 98 PHE N N 98 117.593 117.593 120.327 -2.734 11451 14972 1 20 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.592 0.196 11451 14973 1 20 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.843 -1.188 11451 14974 1 20 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.253 -0.028 11451 14975 1 20 . 1 1 98 98 PHE H H 98 7.623 7.623 8.063 -0.440 11451 14976 1 20 . 1 1 99 99 PHE N N 99 116.226 116.226 114.681 1.545 11451 14977 1 20 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.239 0.493 11451 14978 1 20 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.792 -0.743 11451 14979 1 20 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.176 1.844 11451 14980 1 20 . 1 1 99 99 PHE H H 99 9.518 9.518 8.750 0.768 11451 14981 1 20 . 1 1 100 100 ILE N N 100 117.687 117.687 120.177 -2.490 11451 14982 1 20 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.831 -0.004 11451 14983 1 20 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.131 -0.782 11451 14984 1 20 . 1 1 100 100 ILE CB C 100 39.669 39.669 40.055 -0.386 11451 14985 1 20 . 1 1 100 100 ILE H H 100 9.136 9.136 9.165 -0.029 11451 14986 1 20 . 1 1 101 101 ASN N N 101 126.524 126.524 128.302 -1.778 11451 14987 1 20 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.823 -0.364 11451 14988 1 20 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.157 2.576 11451 14989 1 20 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.277 1.649 11451 14990 1 20 . 1 1 101 101 ASN H H 101 8.877 8.877 9.220 -0.343 11451 14991 1 20 . 1 1 102 102 VAL N N 102 117.660 117.660 118.693 -1.033 11451 14992 1 20 . 1 1 102 102 VAL HA H 102 4.411 4.411 3.984 0.427 11451 14993 1 20 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.989 -2.082 11451 14994 1 20 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.062 -1.692 11451 14995 1 20 . 1 1 102 102 VAL H H 102 7.700 7.700 7.804 -0.104 11451 14996 1 20 . 1 1 103 103 VAL N N 103 116.637 116.637 111.842 4.795 11451 14997 1 20 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.432 -0.079 11451 14998 1 20 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.615 1.044 11451 14999 1 20 . 1 1 103 103 VAL CB C 103 35.510 35.510 35.606 -0.096 11451 15000 1 20 . 1 1 103 103 VAL H H 103 7.753 7.753 6.975 0.778 11451 15001 1 20 . 1 1 104 104 ASP N N 104 118.510 118.510 121.428 -2.918 11451 15002 1 20 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.588 -0.333 11451 15003 1 20 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.114 0.386 11451 15004 1 20 . 1 1 104 104 ASP CB C 104 39.088 39.088 40.938 -1.850 11451 15005 1 20 . 1 1 104 104 ASP H H 104 8.171 8.171 8.445 -0.274 11451 15006 1 20 . 1 1 105 105 ASN N N 105 128.132 128.132 123.172 4.960 11451 15007 1 20 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.749 0.330 11451 15008 1 20 . 1 1 105 105 ASN CA C 105 51.529 51.529 51.911 -0.382 11451 15009 1 20 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.230 -0.095 11451 15010 1 20 . 1 1 105 105 ASN H H 105 8.352 8.352 8.820 -0.468 11451 15011 1 20 . 1 1 106 106 ASP N N 106 121.636 121.636 120.013 1.623 11451 15012 1 20 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.575 -0.304 11451 15013 1 20 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.694 0.093 11451 15014 1 20 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.666 -0.861 11451 15015 1 20 . 1 1 106 106 ASP H H 106 8.203 8.203 8.506 -0.303 11451 15016 1 20 . 1 1 107 107 PHE N N 107 114.525 114.525 115.852 -1.327 11451 15017 1 20 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.570 -0.072 11451 15018 1 20 . 1 1 107 107 PHE CA C 107 57.395 57.395 58.424 -1.029 11451 15019 1 20 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.189 -1.409 11451 15020 1 20 . 1 1 107 107 PHE H H 107 7.388 7.388 7.532 -0.144 11451 15021 1 20 . 1 1 108 108 LEU N N 108 121.576 121.576 118.487 3.089 11451 15022 1 20 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.520 -0.054 11451 15023 1 20 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.228 -0.750 11451 15024 1 20 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.293 0.806 11451 15025 1 20 . 1 1 108 108 LEU H H 108 7.163 7.163 7.575 -0.412 11451 15026 1 20 . 1 1 109 109 ASN N N 109 116.121 116.121 118.024 -1.903 11451 15027 1 20 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.901 0.248 11451 15028 1 20 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.214 -0.244 11451 15029 1 20 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.168 -1.049 11451 15030 1 20 . 1 1 109 109 ASN H H 109 7.312 7.312 7.555 -0.243 11451 15031 1 20 . 1 1 110 110 PHE N N 110 124.182 124.182 119.871 4.311 11451 15032 1 20 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.818 -0.566 11451 15033 1 20 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.164 -0.109 11451 15034 1 20 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.219 -0.426 11451 15035 1 20 . 1 1 110 110 PHE H H 110 8.825 8.825 8.896 -0.071 11451 15036 1 20 . 1 1 111 111 SER N N 111 122.136 122.136 121.542 0.594 11451 15037 1 20 . 1 1 111 111 SER HA H 111 4.179 4.179 4.374 -0.195 11451 15038 1 20 . 1 1 111 111 SER CA C 111 57.521 57.521 57.869 -0.348 11451 15039 1 20 . 1 1 111 111 SER CB C 111 64.617 64.617 64.127 0.490 11451 15040 1 20 . 1 1 111 111 SER H H 111 9.456 9.456 8.354 1.102 11451 15041 1 20 . 1 1 112 112 GLY N N 112 110.435 110.435 107.415 3.020 11451 15042 1 20 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.627 0.750 11451 15043 1 20 . 1 1 112 112 GLY H H 112 5.514 5.514 7.079 -1.565 11451 15044 1 20 . 1 1 113 113 GLU N N 113 118.926 118.926 116.463 2.463 11451 15045 1 20 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.625 -0.978 11451 15046 1 20 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.222 -2.252 11451 15047 1 20 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.203 -2.539 11451 15048 1 20 . 1 1 113 113 GLU H H 113 7.862 7.862 7.994 -0.132 11451 15049 1 20 . 1 1 114 114 SER N N 114 119.323 119.323 114.277 5.046 11451 15050 1 20 . 1 1 114 114 SER HA H 114 4.625 4.625 4.738 -0.113 11451 15051 1 20 . 1 1 114 114 SER CA C 114 56.279 56.279 55.876 0.403 11451 15052 1 20 . 1 1 114 114 SER H H 114 7.621 7.621 7.999 -0.378 11451 15053 1 20 . 1 1 115 115 LEU N N 115 122.373 122.373 129.611 -7.238 11451 15054 1 20 . 1 1 115 115 LEU HA H 115 4.117 4.117 3.745 0.372 11451 15055 1 20 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.307 1.653 11451 15056 1 20 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.732 -0.607 11451 15057 1 20 . 1 1 115 115 LEU H H 115 8.745 8.745 9.070 -0.325 11451 15058 1 20 . 1 1 116 116 GLN N N 116 114.490 114.490 116.192 -1.702 11451 15059 1 20 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.151 0.111 11451 15060 1 20 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.948 0.179 11451 15061 1 20 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.386 -0.189 11451 15062 1 20 . 1 1 116 116 GLN H H 116 8.292 8.292 8.084 0.208 11451 15063 1 20 . 1 1 117 117 GLY N N 117 109.729 109.729 109.135 0.594 11451 15064 1 20 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.859 0.682 11451 15065 1 20 . 1 1 117 117 GLY H H 117 7.832 7.832 8.243 -0.411 11451 15066 1 20 . 1 1 118 118 TRP N N 118 123.807 123.807 123.802 0.005 11451 15067 1 20 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.794 -0.480 11451 15068 1 20 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.265 8.029 11451 15069 1 20 . 1 1 118 118 TRP CB C 118 30.167 30.167 27.725 2.442 11451 15070 1 20 . 1 1 118 118 TRP H H 118 7.801 7.801 7.973 -0.172 11451 15071 1 20 . 1 1 119 119 GLY N N 119 124.815 124.815 112.667 12.148 11451 15072 1 20 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.287 0.032 11451 15073 1 20 . 1 1 119 119 GLY H H 119 7.438 7.438 8.655 -1.217 11451 15074 1 20 . 1 1 120 120 TYR N N 120 119.720 119.720 118.539 1.181 11451 15075 1 20 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.019 0.183 11451 15076 1 20 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.217 0.102 11451 15077 1 20 . 1 1 120 120 TYR CB C 120 39.739 39.739 41.928 -2.188 11451 15078 1 20 . 1 1 120 120 TYR H H 120 8.281 8.281 8.794 -0.513 11451 15079 1 20 . 1 1 121 121 CYS N N 121 126.117 126.117 122.633 3.484 11451 15080 1 20 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.719 -0.480 11451 15081 1 20 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.101 1.596 11451 15082 1 20 . 1 1 121 121 CYS CB C 121 28.010 28.010 29.754 -1.744 11451 15083 1 20 . 1 1 121 121 CYS H H 121 9.818 9.818 8.998 0.820 11451 15084 1 20 . 1 1 122 122 VAL N N 122 106.168 106.168 129.530 -23.362 11451 15085 1 20 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.210 0.353 11451 15086 1 20 . 1 1 122 122 VAL CA C 122 62.650 62.650 63.072 -0.421 11451 15087 1 20 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.124 1.355 11451 15088 1 20 . 1 1 122 122 VAL H H 122 9.382 9.382 8.982 0.400 11451 15089 1 20 . 1 1 123 123 PHE N N 123 118.398 118.398 125.326 -6.928 11451 15090 1 20 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.587 0.274 11451 15091 1 20 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.612 -2.673 11451 15092 1 20 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.707 1.933 11451 15093 1 20 . 1 1 123 123 PHE H H 123 7.842 7.842 8.262 -0.420 11451 15094 1 20 . 1 1 124 124 ALA N N 124 124.412 124.412 118.554 5.858 11451 15095 1 20 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.603 0.047 11451 15096 1 20 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.583 0.176 11451 15097 1 20 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.682 1.953 11451 15098 1 20 . 1 1 124 124 ALA H H 124 7.327 7.327 6.988 0.339 11451 15099 1 20 . 1 1 125 125 GLU N N 125 115.272 115.272 117.411 -2.139 11451 15100 1 20 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.639 0.132 11451 15101 1 20 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.279 0.372 11451 15102 1 20 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.460 -0.690 11451 15103 1 20 . 1 1 125 125 GLU H H 125 8.223 8.223 8.142 0.081 11451 15104 1 20 . 1 1 126 126 VAL N N 126 123.948 123.948 121.602 2.346 11451 15105 1 20 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.952 -0.043 11451 15106 1 20 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.623 -0.358 11451 15107 1 20 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.624 -0.814 11451 15108 1 20 . 1 1 126 126 VAL H H 126 8.786 8.786 8.265 0.521 11451 15109 1 20 . 1 1 127 127 VAL N N 127 123.644 123.644 126.399 -2.755 11451 15110 1 20 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.116 0.234 11451 15111 1 20 . 1 1 127 127 VAL CA C 127 61.494 61.494 62.808 -1.314 11451 15112 1 20 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.816 -0.334 11451 15113 1 20 . 1 1 127 127 VAL H H 127 9.096 9.096 8.973 0.123 11451 15114 1 20 . 1 1 128 128 ASP N N 128 121.165 121.165 119.085 2.080 11451 15115 1 20 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.817 0.105 11451 15116 1 20 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.708 0.693 11451 15117 1 20 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.289 -1.240 11451 15118 1 20 . 1 1 128 128 ASP H H 128 7.719 7.719 7.673 0.046 11451 15119 1 20 . 1 1 129 129 GLY N N 129 110.821 110.821 107.810 3.011 11451 15120 1 20 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.689 0.072 11451 15121 1 20 . 1 1 129 129 GLY H H 129 8.276 8.276 8.932 -0.656 11451 15122 1 20 . 1 1 130 130 MET N N 130 122.991 122.991 119.425 3.566 11451 15123 1 20 . 1 1 130 130 MET HA H 130 4.468 4.468 4.154 0.314 11451 15124 1 20 . 1 1 130 130 MET CA C 130 55.953 55.953 58.484 -2.531 11451 15125 1 20 . 1 1 130 130 MET CB C 130 28.771 28.771 31.831 -3.060 11451 15126 1 20 . 1 1 130 130 MET H H 130 8.945 8.945 8.396 0.549 11451 15127 1 20 . 1 1 131 131 ASP N N 131 117.183 117.183 118.829 -1.646 11451 15128 1 20 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.464 -0.219 11451 15129 1 20 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.169 -0.530 11451 15130 1 20 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.319 -1.641 11451 15131 1 20 . 1 1 131 131 ASP H H 131 8.924 8.924 8.736 0.188 11451 15132 1 20 . 1 1 132 132 VAL N N 132 124.340 124.340 118.959 5.381 11451 15133 1 20 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.791 -0.352 11451 15134 1 20 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.719 0.297 11451 15135 1 20 . 1 1 132 132 VAL CB C 132 30.781 30.781 32.094 -1.313 11451 15136 1 20 . 1 1 132 132 VAL H H 132 7.222 7.222 7.491 -0.269 11451 15137 1 20 . 1 1 133 133 VAL N N 133 121.730 121.730 120.524 1.206 11451 15138 1 20 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.485 -0.467 11451 15139 1 20 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.947 0.129 11451 15140 1 20 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.377 -0.557 11451 15141 1 20 . 1 1 133 133 VAL H H 133 7.367 7.367 8.078 -0.711 11451 15142 1 20 . 1 1 134 134 ASP N N 134 117.555 117.555 116.366 1.189 11451 15143 1 20 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.408 -0.158 11451 15144 1 20 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.510 -0.247 11451 15145 1 20 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.093 -1.280 11451 15146 1 20 . 1 1 134 134 ASP H H 134 8.411 8.411 8.191 0.220 11451 15147 1 20 . 1 1 135 135 LYS N N 135 122.646 122.646 119.014 3.632 11451 15148 1 20 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.225 -0.224 11451 15149 1 20 . 1 1 135 135 LYS CA C 135 58.908 58.908 57.684 1.224 11451 15150 1 20 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.295 -0.285 11451 15151 1 20 . 1 1 135 135 LYS H H 135 7.418 7.418 7.417 0.001 11451 15152 1 20 . 1 1 136 136 ILE N N 136 121.613 121.613 118.896 2.717 11451 15153 1 20 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.504 -0.442 11451 15154 1 20 . 1 1 136 136 ILE CA C 136 65.307 65.307 65.042 0.265 11451 15155 1 20 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.799 -0.500 11451 15156 1 20 . 1 1 136 136 ILE H H 136 8.075 8.075 8.248 -0.173 11451 15157 1 20 . 1 1 137 137 LYS N N 137 113.499 113.499 116.082 -2.583 11451 15158 1 20 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.164 -0.420 11451 15159 1 20 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.793 0.095 11451 15160 1 20 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.070 -0.715 11451 15161 1 20 . 1 1 137 137 LYS H H 137 7.976 7.976 7.645 0.331 11451 15162 1 20 . 1 1 138 138 GLY N N 138 104.829 104.829 106.563 -1.734 11451 15163 1 20 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.070 -0.889 11451 15164 1 20 . 1 1 138 138 GLY H H 138 6.858 6.858 7.634 -0.776 11451 15165 1 20 . 1 1 139 139 VAL N N 139 116.189 116.189 117.088 -0.899 11451 15166 1 20 . 1 1 139 139 VAL HA H 139 4.083 4.083 4.024 0.059 11451 15167 1 20 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.030 -2.286 11451 15168 1 20 . 1 1 139 139 VAL CB C 139 32.850 32.850 32.360 0.490 11451 15169 1 20 . 1 1 139 139 VAL H H 139 7.220 7.220 7.707 -0.487 11451 15170 1 20 . 1 1 140 140 ALA N N 140 123.097 123.097 119.524 3.573 11451 15171 1 20 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.519 -0.237 11451 15172 1 20 . 1 1 140 140 ALA CA C 140 52.850 52.850 51.948 0.902 11451 15173 1 20 . 1 1 140 140 ALA CB C 140 18.372 18.372 20.285 -1.913 11451 15174 1 20 . 1 1 140 140 ALA H H 140 8.262 8.262 7.889 0.373 11451 15175 1 20 . 1 1 141 141 THR N N 141 113.326 113.326 112.485 0.841 11451 15176 1 20 . 1 1 141 141 THR HA H 141 4.925 4.925 4.786 0.139 11451 15177 1 20 . 1 1 141 141 THR CA C 141 59.382 59.382 60.413 -1.031 11451 15178 1 20 . 1 1 141 141 THR CB C 141 73.286 73.286 71.551 1.735 11451 15179 1 20 . 1 1 141 141 THR H H 141 8.278 8.278 8.159 0.119 11451 15180 1 20 . 1 1 142 142 GLY N N 142 107.299 107.299 108.739 -1.440 11451 15181 1 20 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.685 -0.513 11451 15182 1 20 . 1 1 142 142 GLY H H 142 8.484 8.484 8.221 0.263 11451 15183 1 20 . 1 1 143 143 ARG N N 143 120.230 120.230 121.011 -0.781 11451 15184 1 20 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.186 0.611 11451 15185 1 20 . 1 1 143 143 ARG CA C 143 55.200 55.200 57.286 -2.086 11451 15186 1 20 . 1 1 143 143 ARG CB C 143 31.351 31.351 31.069 0.282 11451 15187 1 20 . 1 1 143 143 ARG H H 143 8.185 8.185 8.481 -0.296 11451 15188 1 20 . 1 1 144 144 SER N N 144 119.429 119.429 119.252 0.177 11451 15189 1 20 . 1 1 144 144 SER HA H 144 4.466 4.466 4.722 -0.256 11451 15190 1 20 . 1 1 144 144 SER CA C 144 56.856 56.856 57.508 -0.652 11451 15191 1 20 . 1 1 144 144 SER CB C 144 63.174 63.174 65.446 -2.272 11451 15192 1 20 . 1 1 144 144 SER H H 144 8.427 8.427 8.489 -0.062 11451 15193 1 20 . 1 1 145 145 GLY N N 145 117.736 117.736 110.087 7.649 11451 15194 1 20 . 1 1 145 145 GLY CA C 145 46.686 46.686 45.968 0.718 11451 15195 1 20 . 1 1 145 145 GLY H H 145 8.902 8.902 8.982 -0.080 11451 15196 1 20 . 1 1 146 146 MET N N 146 125.723 125.723 113.683 12.040 11451 15197 1 20 . 1 1 146 146 MET HA H 146 4.315 4.315 4.555 -0.240 11451 15198 1 20 . 1 1 146 146 MET CA C 146 55.431 55.431 55.557 -0.126 11451 15199 1 20 . 1 1 146 146 MET H H 146 8.827 8.827 7.436 1.391 11451 15200 1 20 . 1 1 147 147 HIS N N 147 121.581 121.581 118.340 3.241 11451 15201 1 20 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.949 -0.525 11451 15202 1 20 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.740 0.335 11451 15203 1 20 . 1 1 147 147 HIS CB C 147 31.593 31.593 33.444 -1.851 11451 15204 1 20 . 1 1 147 147 HIS H H 147 8.010 8.010 8.151 -0.141 11451 15205 1 20 . 1 1 148 148 GLN N N 148 121.305 121.305 120.187 1.118 11451 15206 1 20 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.548 -0.078 11451 15207 1 20 . 1 1 148 148 GLN CA C 148 54.464 54.464 54.993 -0.529 11451 15208 1 20 . 1 1 148 148 GLN CB C 148 31.691 31.691 31.908 -0.217 11451 15209 1 20 . 1 1 148 148 GLN H H 148 8.681 8.681 8.612 0.069 11451 15210 1 20 . 1 1 149 149 ASP N N 149 117.085 117.085 118.600 -1.515 11451 15211 1 20 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.698 -0.219 11451 15212 1 20 . 1 1 149 149 ASP H H 149 8.635 8.635 8.797 -0.162 11451 15213 1 20 . 1 1 150 150 VAL N N 150 120.313 120.313 112.068 8.245 11451 15214 1 20 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.926 -0.547 11451 15215 1 20 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.248 0.920 11451 15216 1 20 . 1 1 150 150 VAL CB C 150 33.080 33.080 33.367 -0.287 11451 15217 1 20 . 1 1 150 150 VAL H H 150 8.470 8.470 7.589 0.881 11451 15218 1 20 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.609 -0.196 11451 15219 1 20 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.662 1.274 11451 15220 1 20 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.417 -0.241 11451 15221 1 20 . 1 1 152 152 LYS N N 152 125.675 125.675 120.967 4.708 11451 15222 1 20 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.222 -0.351 11451 15223 1 20 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.264 1.337 11451 15224 1 20 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.409 -0.624 11451 15225 1 20 . 1 1 152 152 LYS H H 152 8.169 8.169 8.520 -0.351 11451 15226 1 20 . 1 1 153 153 GLU N N 153 119.081 119.081 120.959 -1.878 11451 15227 1 20 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.336 0.059 11451 15228 1 20 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.502 -1.286 11451 15229 1 20 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.623 0.115 11451 15230 1 20 . 1 1 153 153 GLU H H 153 7.960 7.960 8.083 -0.123 11451 15231 1 20 . 1 1 154 154 ASP N N 154 121.884 121.884 121.576 0.308 11451 15232 1 20 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.629 -0.397 11451 15233 1 20 . 1 1 154 154 ASP CA C 154 56.100 56.100 54.400 1.700 11451 15234 1 20 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.299 -0.759 11451 15235 1 20 . 1 1 154 154 ASP H H 154 8.149 8.149 8.575 -0.426 11451 15236 1 20 . 1 1 155 155 VAL N N 155 129.777 129.777 124.894 4.883 11451 15237 1 20 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.508 -0.069 11451 15238 1 20 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.821 0.490 11451 15239 1 20 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.589 -1.120 11451 15240 1 20 . 1 1 155 155 VAL H H 155 10.043 10.043 8.758 1.285 11451 15241 1 20 . 1 1 156 156 ILE N N 156 125.807 125.807 122.344 3.463 11451 15242 1 20 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.353 -0.941 11451 15243 1 20 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.813 1.872 11451 15244 1 20 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.836 0.078 11451 15245 1 20 . 1 1 156 156 ILE H H 156 8.252 8.252 9.561 -1.309 11451 15246 1 20 . 1 1 157 157 ILE N N 157 126.581 126.581 125.978 0.603 11451 15247 1 20 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.158 -0.479 11451 15248 1 20 . 1 1 157 157 ILE CA C 157 62.505 62.505 62.394 0.111 11451 15249 1 20 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.638 -0.266 11451 15250 1 20 . 1 1 157 157 ILE H H 157 9.168 9.168 9.063 0.105 11451 15251 1 20 . 1 1 158 158 GLU N N 158 130.185 130.185 129.115 1.070 11451 15252 1 20 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.276 -0.236 11451 15253 1 20 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.701 0.205 11451 15254 1 20 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.790 -0.792 11451 15255 1 20 . 1 1 158 158 GLU H H 158 8.910 8.910 8.756 0.154 11451 15256 1 20 . 1 1 159 159 SER N N 159 108.037 108.037 111.037 -3.000 11451 15257 1 20 . 1 1 159 159 SER HA H 159 4.399 4.399 4.896 -0.497 11451 15258 1 20 . 1 1 159 159 SER CA C 159 57.505 57.505 57.313 0.192 11451 15259 1 20 . 1 1 159 159 SER CB C 159 64.403 64.403 65.010 -0.607 11451 15260 1 20 . 1 1 159 159 SER H H 159 7.772 7.772 8.276 -0.504 11451 15261 1 20 . 1 1 160 160 VAL N N 160 119.790 119.790 121.622 -1.832 11451 15262 1 20 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.402 -0.227 11451 15263 1 20 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.442 0.123 11451 15264 1 20 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.520 -0.505 11451 15265 1 20 . 1 1 160 160 VAL H H 160 7.681 7.681 8.249 -0.568 11451 15266 1 20 . 1 1 161 161 THR N N 161 122.628 122.628 121.107 1.521 11451 15267 1 20 . 1 1 161 161 THR HA H 161 4.662 4.662 4.708 -0.046 11451 15268 1 20 . 1 1 161 161 THR CA C 161 61.452 61.452 60.735 0.717 11451 15269 1 20 . 1 1 161 161 THR CB C 161 70.781 70.781 72.087 -1.306 11451 15270 1 20 . 1 1 161 161 THR H H 161 8.817 8.817 9.155 -0.338 11451 15271 1 20 . 1 1 162 162 VAL N N 162 129.304 129.304 125.927 3.377 11451 15272 1 20 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.518 -0.031 11451 15273 1 20 . 1 1 162 162 VAL CA C 162 61.757 61.757 61.827 -0.070 11451 15274 1 20 . 1 1 162 162 VAL CB C 162 32.482 32.482 31.630 0.852 11451 15275 1 20 . 1 1 162 162 VAL H H 162 9.075 9.075 8.524 0.551 11451 15276 1 20 . 1 1 163 163 SER N N 163 123.979 123.979 124.137 -0.158 11451 15277 1 20 . 1 1 163 163 SER HA H 163 4.601 4.601 4.693 -0.092 11451 15278 1 20 . 1 1 163 163 SER CA C 163 57.521 57.521 57.185 0.336 11451 15279 1 20 . 1 1 163 163 SER CB C 163 64.409 64.409 65.311 -0.902 11451 15280 1 20 . 1 1 163 163 SER H H 163 8.727 8.727 8.897 -0.170 11451 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 157 4.413 -0.340 4.414 11451 2 1 1 "Average Difference" HA 161 0.375 0.097 0.364 11451 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 11451 4 1 1 "Average Difference" CA 161 1.264 -0.068 1.266 11451 5 1 1 "Average Difference" CB 144 1.430 0.470 1.355 11451 6 1 1 "Average Difference" HN 157 0.627 -0.020 0.629 11451 7 1 2 "Average Difference" N 157 4.427 -0.484 4.415 11451 8 1 2 "Average Difference" HA 161 0.387 0.103 0.375 11451 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 11451 10 1 2 "Average Difference" CA 161 1.298 -0.125 1.296 11451 11 1 2 "Average Difference" CB 144 1.430 0.424 1.371 11451 12 1 2 "Average Difference" HN 157 0.601 -0.031 0.602 11451 13 1 3 "Average Difference" N 157 4.480 -0.473 4.470 11451 14 1 3 "Average Difference" HA 161 0.397 0.107 0.384 11451 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 11451 16 1 3 "Average Difference" CA 161 1.301 -0.085 1.302 11451 17 1 3 "Average Difference" CB 144 1.416 0.476 1.339 11451 18 1 3 "Average Difference" HN 157 0.635 -0.027 0.636 11451 19 1 4 "Average Difference" N 157 4.342 -0.490 4.328 11451 20 1 4 "Average Difference" HA 161 0.395 0.089 0.386 11451 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 11451 22 1 4 "Average Difference" CA 161 1.342 -0.025 1.346 11451 23 1 4 "Average Difference" CB 144 1.391 0.436 1.326 11451 24 1 4 "Average Difference" HN 157 0.639 -0.014 0.641 11451 25 1 5 "Average Difference" N 157 4.350 -0.420 4.344 11451 26 1 5 "Average Difference" HA 161 0.394 0.101 0.382 11451 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 11451 28 1 5 "Average Difference" CA 161 1.247 -0.089 1.247 11451 29 1 5 "Average Difference" CB 144 1.449 0.440 1.386 11451 30 1 5 "Average Difference" HN 157 0.625 -0.030 0.627 11451 31 1 6 "Average Difference" N 157 4.347 -0.241 4.354 11451 32 1 6 "Average Difference" HA 161 0.372 0.091 0.362 11451 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 11451 34 1 6 "Average Difference" CA 161 1.260 -0.047 1.263 11451 35 1 6 "Average Difference" CB 144 1.404 0.369 1.359 11451 36 1 6 "Average Difference" HN 157 0.612 -0.022 0.613 11451 37 1 7 "Average Difference" N 157 4.339 -0.304 4.342 11451 38 1 7 "Average Difference" HA 161 0.394 0.098 0.382 11451 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 11451 40 1 7 "Average Difference" CA 161 1.232 -0.043 1.235 11451 41 1 7 "Average Difference" CB 144 1.389 0.380 1.341 11451 42 1 7 "Average Difference" HN 157 0.628 -0.013 0.630 11451 43 1 8 "Average Difference" N 157 4.496 -0.614 4.468 11451 44 1 8 "Average Difference" HA 161 0.379 0.088 0.370 11451 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 11451 46 1 8 "Average Difference" CA 161 1.355 -0.018 1.359 11451 47 1 8 "Average Difference" CB 144 1.420 0.415 1.362 11451 48 1 8 "Average Difference" HN 157 0.645 -0.013 0.646 11451 49 1 9 "Average Difference" N 157 4.359 -0.399 4.355 11451 50 1 9 "Average Difference" HA 161 0.381 0.098 0.369 11451 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 11451 52 1 9 "Average Difference" CA 161 1.257 -0.054 1.260 11451 53 1 9 "Average Difference" CB 144 1.365 0.423 1.302 11451 54 1 9 "Average Difference" HN 157 0.607 -0.019 0.609 11451 55 1 10 "Average Difference" N 157 4.365 -0.427 4.358 11451 56 1 10 "Average Difference" HA 161 0.386 0.084 0.378 11451 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 11451 58 1 10 "Average Difference" CA 161 1.289 -0.044 1.292 11451 59 1 10 "Average Difference" CB 144 1.372 0.395 1.319 11451 60 1 10 "Average Difference" HN 157 0.617 -0.035 0.618 11451 61 1 11 "Average Difference" N 157 4.439 -0.333 4.441 11451 62 1 11 "Average Difference" HA 161 0.390 0.115 0.374 11451 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 11451 64 1 11 "Average Difference" CA 161 1.304 -0.085 1.305 11451 65 1 11 "Average Difference" CB 144 1.420 0.488 1.338 11451 66 1 11 "Average Difference" HN 157 0.619 -0.009 0.621 11451 67 1 12 "Average Difference" N 157 4.428 -0.490 4.415 11451 68 1 12 "Average Difference" HA 161 0.385 0.108 0.370 11451 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 11451 70 1 12 "Average Difference" CA 161 1.276 -0.087 1.277 11451 71 1 12 "Average Difference" CB 144 1.429 0.452 1.360 11451 72 1 12 "Average Difference" HN 157 0.630 0.004 0.632 11451 73 1 13 "Average Difference" N 157 4.224 -0.528 4.205 11451 74 1 13 "Average Difference" HA 161 0.399 0.093 0.389 11451 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 11451 76 1 13 "Average Difference" CA 161 1.345 -0.094 1.346 11451 77 1 13 "Average Difference" CB 144 1.422 0.488 1.341 11451 78 1 13 "Average Difference" HN 157 0.652 -0.035 0.653 11451 79 1 14 "Average Difference" N 157 4.346 -0.455 4.336 11451 80 1 14 "Average Difference" HA 161 0.392 0.097 0.381 11451 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 11451 82 1 14 "Average Difference" CA 161 1.280 -0.053 1.283 11451 83 1 14 "Average Difference" CB 144 1.451 0.491 1.370 11451 84 1 14 "Average Difference" HN 157 0.618 -0.022 0.620 11451 85 1 15 "Average Difference" N 157 4.472 -0.617 4.444 11451 86 1 15 "Average Difference" HA 161 0.388 0.092 0.378 11451 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 11451 88 1 15 "Average Difference" CA 161 1.326 -0.049 1.330 11451 89 1 15 "Average Difference" CB 144 1.454 0.453 1.387 11451 90 1 15 "Average Difference" HN 157 0.633 -0.046 0.633 11451 91 1 16 "Average Difference" N 157 4.364 -0.521 4.347 11451 92 1 16 "Average Difference" HA 161 0.386 0.112 0.371 11451 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 11451 94 1 16 "Average Difference" CA 161 1.319 -0.082 1.321 11451 95 1 16 "Average Difference" CB 144 1.390 0.463 1.315 11451 96 1 16 "Average Difference" HN 157 0.623 -0.020 0.624 11451 97 1 17 "Average Difference" N 157 4.351 -0.430 4.343 11451 98 1 17 "Average Difference" HA 161 0.373 0.093 0.362 11451 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 11451 100 1 17 "Average Difference" CA 161 1.246 -0.062 1.249 11451 101 1 17 "Average Difference" CB 144 1.413 0.440 1.347 11451 102 1 17 "Average Difference" HN 157 0.622 -0.022 0.624 11451 103 1 18 "Average Difference" N 157 4.420 -0.546 4.400 11451 104 1 18 "Average Difference" HA 161 0.390 0.085 0.382 11451 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 11451 106 1 18 "Average Difference" CA 161 1.308 -0.051 1.312 11451 107 1 18 "Average Difference" CB 144 1.492 0.454 1.426 11451 108 1 18 "Average Difference" HN 157 0.640 -0.035 0.641 11451 109 1 19 "Average Difference" N 157 4.415 -0.562 4.393 11451 110 1 19 "Average Difference" HA 161 0.372 0.078 0.365 11451 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 11451 112 1 19 "Average Difference" CA 161 1.280 -0.051 1.283 11451 113 1 19 "Average Difference" CB 144 1.431 0.388 1.382 11451 114 1 19 "Average Difference" HN 157 0.637 -0.037 0.638 11451 115 1 20 "Average Difference" N 157 4.362 -0.536 4.343 11451 116 1 20 "Average Difference" HA 161 0.371 0.097 0.359 11451 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 11451 118 1 20 "Average Difference" CA 161 1.269 -0.038 1.273 11451 119 1 20 "Average Difference" CB 144 1.421 0.495 1.337 11451 120 1 20 "Average Difference" HN 157 0.608 0.012 0.610 11451 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 11451 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 VAL N N 2 123.776 123.776 121.735 2.041 11451 2 1 . 1 1 2 2 VAL HA H 2 4.775 4.775 4.755 0.020 11451 3 1 . 1 1 2 2 VAL CA C 2 61.024 61.024 60.824 0.200 11451 4 1 . 1 1 2 2 VAL CB C 2 35.131 35.131 34.609 0.522 11451 5 1 . 1 1 2 2 VAL H H 2 8.961 8.961 8.930 0.031 11451 6 1 . 1 1 3 3 THR N N 3 121.749 121.749 123.939 -2.190 11451 7 1 . 1 1 3 3 THR HA H 3 5.053 5.053 4.880 0.173 11451 8 1 . 1 1 3 3 THR CA C 3 61.176 61.176 61.718 -0.542 11451 9 1 . 1 1 3 3 THR CB C 3 70.356 70.356 69.641 0.715 11451 10 1 . 1 1 3 3 THR H H 3 8.912 8.912 9.092 -0.181 11451 11 1 . 1 1 4 4 PHE N N 4 125.726 125.726 126.586 -0.860 11451 12 1 . 1 1 4 4 PHE HA H 4 4.795 4.795 4.957 -0.162 11451 13 1 . 1 1 4 4 PHE CA C 4 54.011 54.011 55.006 -0.995 11451 14 1 . 1 1 4 4 PHE CB C 4 38.721 38.721 39.955 -1.234 11451 15 1 . 1 1 4 4 PHE H H 4 9.442 9.442 9.135 0.307 11451 16 1 . 1 1 5 5 HIS N N 5 125.337 125.337 124.294 1.043 11451 17 1 . 1 1 5 5 HIS HA H 5 5.349 5.349 5.028 0.321 11451 18 1 . 1 1 5 5 HIS CA C 5 54.308 54.308 55.322 -1.014 11451 19 1 . 1 1 5 5 HIS CB C 5 26.517 26.517 30.070 -3.553 11451 20 1 . 1 1 5 5 HIS H H 5 8.897 8.897 9.393 -0.496 11451 21 1 . 1 1 6 6 THR N N 6 115.752 115.752 116.513 -0.761 11451 22 1 . 1 1 6 6 THR HA H 6 6.126 6.126 5.043 1.083 11451 23 1 . 1 1 6 6 THR CA C 6 60.220 60.220 59.123 1.097 11451 24 1 . 1 1 6 6 THR CB C 6 72.515 72.515 71.370 1.145 11451 25 1 . 1 1 6 6 THR H H 6 7.881 7.881 8.237 -0.356 11451 26 1 . 1 1 7 7 ASN N N 7 119.451 119.451 122.218 -2.767 11451 27 1 . 1 1 7 7 ASN HA H 7 4.575 4.575 4.567 0.008 11451 28 1 . 1 1 7 7 ASN CA C 7 54.493 54.493 54.830 -0.337 11451 29 1 . 1 1 7 7 ASN CB C 7 35.334 35.334 38.217 -2.883 11451 30 1 . 1 1 7 7 ASN H H 7 9.334 9.334 8.877 0.457 11451 31 1 . 1 1 8 8 HIS N N 8 118.490 118.490 116.376 2.114 11451 32 1 . 1 1 8 8 HIS HA H 8 4.491 4.491 4.779 -0.288 11451 33 1 . 1 1 8 8 HIS CA C 8 56.790 56.790 56.433 0.357 11451 34 1 . 1 1 8 8 HIS CB C 8 32.634 32.634 31.407 1.227 11451 35 1 . 1 1 8 8 HIS H H 8 8.663 8.663 7.479 1.184 11451 36 1 . 1 1 9 9 GLY N N 9 108.550 108.550 107.187 1.363 11451 37 1 . 1 1 9 9 GLY CA C 9 43.600 43.600 44.594 -0.995 11451 38 1 . 1 1 9 9 GLY H H 9 7.320 7.320 7.654 -0.334 11451 39 1 . 1 1 10 10 ASP N N 10 123.900 123.900 122.093 1.807 11451 40 1 . 1 1 10 10 ASP HA H 10 5.620 5.620 5.090 0.530 11451 41 1 . 1 1 10 10 ASP CA C 10 54.310 54.310 54.851 -0.541 11451 42 1 . 1 1 10 10 ASP CB C 10 41.500 41.500 41.666 -0.166 11451 43 1 . 1 1 10 10 ASP H H 10 8.857 8.857 8.456 0.401 11451 44 1 . 1 1 11 11 ILE N N 11 121.150 121.150 123.455 -2.305 11451 45 1 . 1 1 11 11 ILE HA H 11 4.336 4.336 4.603 -0.267 11451 46 1 . 1 1 11 11 ILE CA C 11 61.276 61.276 60.149 1.127 11451 47 1 . 1 1 11 11 ILE CB C 11 41.659 41.659 42.141 -0.482 11451 48 1 . 1 1 11 11 ILE H H 11 8.638 8.638 8.762 -0.124 11451 49 1 . 1 1 12 12 VAL N N 12 129.487 129.487 124.930 4.557 11451 50 1 . 1 1 12 12 VAL HA H 12 4.531 4.531 4.755 -0.224 11451 51 1 . 1 1 12 12 VAL CA C 12 62.310 62.310 60.683 1.627 11451 52 1 . 1 1 12 12 VAL CB C 12 32.242 32.242 34.623 -2.381 11451 53 1 . 1 1 12 12 VAL H H 12 8.771 8.771 8.851 -0.080 11451 54 1 . 1 1 13 13 ILE N N 13 127.702 127.702 126.244 1.458 11451 55 1 . 1 1 13 13 ILE HA H 13 4.670 4.670 4.760 -0.090 11451 56 1 . 1 1 13 13 ILE CA C 13 59.738 59.738 59.542 0.196 11451 57 1 . 1 1 13 13 ILE CB C 13 41.559 41.559 41.655 -0.096 11451 58 1 . 1 1 13 13 ILE H H 13 9.527 9.527 9.047 0.480 11451 59 1 . 1 1 14 14 LYS N N 14 126.574 126.574 126.494 0.080 11451 60 1 . 1 1 14 14 LYS HA H 14 4.777 4.777 4.592 0.185 11451 61 1 . 1 1 14 14 LYS CA C 14 53.843 53.843 54.312 -0.469 11451 62 1 . 1 1 14 14 LYS CB C 14 35.500 35.500 34.893 0.607 11451 63 1 . 1 1 14 14 LYS H H 14 8.684 8.684 8.751 -0.067 11451 64 1 . 1 1 15 15 THR N N 15 113.811 113.811 117.570 -3.759 11451 65 1 . 1 1 15 15 THR HA H 15 4.130 4.130 4.235 -0.105 11451 66 1 . 1 1 15 15 THR CA C 15 59.806 59.806 60.718 -0.912 11451 67 1 . 1 1 15 15 THR CB C 15 69.319 69.319 69.643 -0.324 11451 68 1 . 1 1 15 15 THR H H 15 8.343 8.343 8.377 -0.034 11451 69 1 . 1 1 16 16 PHE N N 16 122.611 122.611 123.950 -1.339 11451 70 1 . 1 1 16 16 PHE HA H 16 5.275 5.275 4.756 0.519 11451 71 1 . 1 1 16 16 PHE CA C 16 53.290 53.290 54.717 -1.426 11451 72 1 . 1 1 16 16 PHE CB C 16 36.370 36.370 36.886 -0.516 11451 73 1 . 1 1 16 16 PHE H H 16 8.315 8.315 8.870 -0.555 11451 74 1 . 1 1 17 17 ASP N N 17 120.182 120.182 122.875 -2.693 11451 75 1 . 1 1 17 17 ASP HA H 17 3.762 3.762 4.558 -0.796 11451 76 1 . 1 1 17 17 ASP CA C 17 57.958 57.958 57.559 0.399 11451 77 1 . 1 1 17 17 ASP CB C 17 38.949 38.949 40.927 -1.978 11451 78 1 . 1 1 17 17 ASP H H 17 9.106 9.106 8.155 0.951 11451 79 1 . 1 1 18 18 ASP N N 18 111.686 111.686 118.091 -6.405 11451 80 1 . 1 1 18 18 ASP HA H 18 4.375 4.375 4.550 -0.175 11451 81 1 . 1 1 18 18 ASP CA C 18 55.023 55.023 56.251 -1.228 11451 82 1 . 1 1 18 18 ASP CB C 18 39.763 39.763 40.767 -1.004 11451 83 1 . 1 1 18 18 ASP H H 18 8.584 8.584 8.721 -0.137 11451 84 1 . 1 1 19 19 LYS N N 19 118.003 118.003 116.670 1.333 11451 85 1 . 1 1 19 19 LYS HA H 19 4.436 4.436 4.416 0.020 11451 86 1 . 1 1 19 19 LYS CA C 19 55.387 55.387 55.922 -0.535 11451 87 1 . 1 1 19 19 LYS CB C 19 33.867 33.867 33.659 0.208 11451 88 1 . 1 1 19 19 LYS H H 19 7.333 7.333 7.577 -0.244 11451 89 1 . 1 1 20 20 ALA N N 20 123.657 123.657 121.600 2.057 11451 90 1 . 1 1 20 20 ALA HA H 20 4.618 4.618 5.070 -0.452 11451 91 1 . 1 1 20 20 ALA CA C 20 50.117 50.117 50.870 -0.753 11451 92 1 . 1 1 20 20 ALA CB C 20 18.235 18.235 18.893 -0.658 11451 93 1 . 1 1 20 20 ALA H H 20 7.560 7.560 8.234 -0.674 11451 94 1 . 1 1 21 21 PRO HA H 21 4.424 4.424 4.287 0.137 11451 95 1 . 1 1 21 21 PRO CA C 21 66.277 66.277 65.642 0.635 11451 96 1 . 1 1 21 21 PRO CB C 21 31.508 31.508 31.826 -0.318 11451 97 1 . 1 1 22 22 GLU N N 22 122.557 122.557 118.467 4.090 11451 98 1 . 1 1 22 22 GLU HA H 22 4.012 4.012 4.160 -0.148 11451 99 1 . 1 1 22 22 GLU CA C 22 59.624 59.624 59.168 0.456 11451 100 1 . 1 1 22 22 GLU CB C 22 28.480 28.480 28.952 -0.472 11451 101 1 . 1 1 22 22 GLU H H 22 9.855 9.855 8.196 1.659 11451 102 1 . 1 1 23 23 THR N N 23 122.201 122.201 117.946 4.255 11451 103 1 . 1 1 23 23 THR HA H 23 3.584 3.584 4.065 -0.481 11451 104 1 . 1 1 23 23 THR CA C 23 66.554 66.554 67.081 -0.528 11451 105 1 . 1 1 23 23 THR CB C 23 67.614 67.614 68.793 -1.179 11451 106 1 . 1 1 23 23 THR H H 23 9.390 9.390 8.694 0.696 11451 107 1 . 1 1 24 24 VAL N N 24 125.111 125.111 121.586 3.525 11451 108 1 . 1 1 24 24 VAL HA H 24 3.485 3.485 3.767 -0.282 11451 109 1 . 1 1 24 24 VAL CA C 24 68.307 68.307 66.906 1.401 11451 110 1 . 1 1 24 24 VAL CB C 24 30.889 30.889 31.329 -0.440 11451 111 1 . 1 1 24 24 VAL H H 24 9.359 9.359 8.555 0.804 11451 112 1 . 1 1 25 25 LYS N N 25 121.050 121.050 120.401 0.649 11451 113 1 . 1 1 25 25 LYS HA H 25 3.868 3.868 3.962 -0.094 11451 114 1 . 1 1 25 25 LYS CA C 25 60.239 60.239 59.488 0.751 11451 115 1 . 1 1 25 25 LYS CB C 25 31.697 31.697 31.920 -0.223 11451 116 1 . 1 1 25 25 LYS H H 25 7.686 7.686 8.493 -0.806 11451 117 1 . 1 1 26 26 ASN N N 26 116.337 116.337 117.551 -1.214 11451 118 1 . 1 1 26 26 ASN HA H 26 4.056 4.056 4.435 -0.379 11451 119 1 . 1 1 26 26 ASN CA C 26 56.559 56.559 56.071 0.488 11451 120 1 . 1 1 26 26 ASN CB C 26 40.692 40.692 38.422 2.270 11451 121 1 . 1 1 26 26 ASN H H 26 7.535 7.535 7.797 -0.262 11451 122 1 . 1 1 27 27 PHE N N 27 119.858 119.858 121.803 -1.945 11451 123 1 . 1 1 27 27 PHE HA H 27 4.539 4.539 4.445 0.094 11451 124 1 . 1 1 27 27 PHE CA C 27 60.933 60.933 61.515 -0.582 11451 125 1 . 1 1 27 27 PHE CB C 27 39.831 39.831 39.102 0.729 11451 126 1 . 1 1 27 27 PHE H H 27 7.867 7.867 8.133 -0.266 11451 127 1 . 1 1 28 28 LEU N N 28 120.761 120.761 119.715 1.046 11451 128 1 . 1 1 28 28 LEU HA H 28 3.743 3.743 3.817 -0.074 11451 129 1 . 1 1 28 28 LEU CA C 28 57.868 57.868 58.057 -0.189 11451 130 1 . 1 1 28 28 LEU CB C 28 41.254 41.254 41.369 -0.115 11451 131 1 . 1 1 28 28 LEU H H 28 9.377 9.377 8.734 0.643 11451 132 1 . 1 1 29 29 ASP N N 29 121.607 121.607 119.494 2.113 11451 133 1 . 1 1 29 29 ASP HA H 29 4.295 4.295 4.308 -0.013 11451 134 1 . 1 1 29 29 ASP CA C 29 57.829 57.829 57.690 0.139 11451 135 1 . 1 1 29 29 ASP CB C 29 39.026 39.026 40.402 -1.376 11451 136 1 . 1 1 29 29 ASP H H 29 8.374 8.374 8.536 -0.162 11451 137 1 . 1 1 30 30 TYR N N 30 118.959 118.959 119.533 -0.574 11451 138 1 . 1 1 30 30 TYR HA H 30 4.005 4.005 4.272 -0.267 11451 139 1 . 1 1 30 30 TYR CA C 30 61.747 61.747 61.586 0.161 11451 140 1 . 1 1 30 30 TYR CB C 30 37.739 37.739 38.136 -0.397 11451 141 1 . 1 1 30 30 TYR H H 30 7.287 7.287 7.614 -0.327 11451 142 1 . 1 1 31 31 CYS N N 31 116.202 116.202 118.318 -2.116 11451 143 1 . 1 1 31 31 CYS HA H 31 4.034 4.034 4.226 -0.192 11451 144 1 . 1 1 31 31 CYS CA C 31 64.403 64.403 63.773 0.630 11451 145 1 . 1 1 31 31 CYS CB C 31 27.221 27.221 27.327 -0.107 11451 146 1 . 1 1 31 31 CYS H H 31 8.336 8.336 8.225 0.111 11451 147 1 . 1 1 32 32 ARG N N 32 121.949 121.949 120.647 1.302 11451 148 1 . 1 1 32 32 ARG HA H 32 3.862 3.862 4.106 -0.244 11451 149 1 . 1 1 32 32 ARG CA C 32 59.719 59.719 58.793 0.926 11451 150 1 . 1 1 32 32 ARG CB C 32 30.374 30.374 30.074 0.299 11451 151 1 . 1 1 32 32 ARG H H 32 9.077 9.077 8.307 0.770 11451 152 1 . 1 1 33 33 GLU N N 33 116.667 116.667 116.618 0.049 11451 153 1 . 1 1 33 33 GLU HA H 33 4.187 4.187 4.338 -0.151 11451 154 1 . 1 1 33 33 GLU CA C 33 56.448 56.448 56.445 0.003 11451 155 1 . 1 1 33 33 GLU CB C 33 29.258 29.258 29.758 -0.500 11451 156 1 . 1 1 33 33 GLU H H 33 7.920 7.920 7.773 0.147 11451 157 1 . 1 1 34 34 GLY N N 34 107.273 107.273 106.743 0.530 11451 158 1 . 1 1 34 34 GLY CA C 34 45.398 45.398 45.232 0.166 11451 159 1 . 1 1 34 34 GLY H H 34 7.533 7.533 7.764 -0.231 11451 160 1 . 1 1 35 35 PHE N N 35 122.134 122.134 121.538 0.596 11451 161 1 . 1 1 35 35 PHE HA H 35 3.665 3.665 4.187 -0.522 11451 162 1 . 1 1 35 35 PHE CA C 35 61.605 61.605 60.341 1.264 11451 163 1 . 1 1 35 35 PHE CB C 35 40.070 40.070 39.485 0.585 11451 164 1 . 1 1 35 35 PHE H H 35 8.129 8.129 8.440 -0.311 11451 165 1 . 1 1 36 36 TYR N N 36 111.250 111.250 114.914 -3.664 11451 166 1 . 1 1 36 36 TYR HA H 36 4.324 4.324 4.305 0.019 11451 167 1 . 1 1 36 36 TYR CA C 36 57.678 57.678 58.685 -1.007 11451 168 1 . 1 1 36 36 TYR CB C 36 37.460 37.460 38.243 -0.783 11451 169 1 . 1 1 36 36 TYR H H 36 7.355 7.355 8.347 -0.992 11451 170 1 . 1 1 37 37 ASN N N 37 121.890 121.890 119.134 2.756 11451 171 1 . 1 1 37 37 ASN HA H 37 3.825 3.825 4.585 -0.760 11451 172 1 . 1 1 37 37 ASN CA C 37 54.179 54.179 54.376 -0.197 11451 173 1 . 1 1 37 37 ASN CB C 37 35.855 35.855 38.380 -2.525 11451 174 1 . 1 1 37 37 ASN H H 37 7.106 7.106 7.648 -0.542 11451 175 1 . 1 1 38 38 ASN N N 38 121.572 121.572 118.785 2.788 11451 176 1 . 1 1 38 38 ASN HA H 38 4.048 4.048 4.578 -0.530 11451 177 1 . 1 1 38 38 ASN CA C 38 54.720 54.720 53.926 0.794 11451 178 1 . 1 1 38 38 ASN CB C 38 38.538 38.538 38.229 0.309 11451 179 1 . 1 1 38 38 ASN H H 38 9.235 9.235 8.485 0.750 11451 180 1 . 1 1 39 39 THR N N 39 104.540 104.540 108.733 -4.193 11451 181 1 . 1 1 39 39 THR HA H 39 5.006 5.006 5.246 -0.240 11451 182 1 . 1 1 39 39 THR CA C 39 59.979 59.979 60.137 -0.158 11451 183 1 . 1 1 39 39 THR CB C 39 72.789 72.789 71.119 1.670 11451 184 1 . 1 1 39 39 THR H H 39 7.328 7.328 7.507 -0.179 11451 185 1 . 1 1 40 40 ILE N N 40 108.904 108.904 115.211 -6.307 11451 186 1 . 1 1 40 40 ILE HA H 40 5.669 5.669 5.133 0.536 11451 187 1 . 1 1 40 40 ILE CA C 40 58.800 58.800 58.556 0.244 11451 188 1 . 1 1 40 40 ILE CB C 40 39.724 39.724 41.731 -2.007 11451 189 1 . 1 1 40 40 ILE H H 40 7.943 7.943 8.403 -0.460 11451 190 1 . 1 1 41 41 PHE N N 41 122.068 122.068 122.097 -0.029 11451 191 1 . 1 1 41 41 PHE HA H 41 4.960 4.960 4.741 0.219 11451 192 1 . 1 1 41 41 PHE CA C 41 58.817 58.817 57.747 1.070 11451 193 1 . 1 1 41 41 PHE CB C 41 37.410 37.410 38.276 -0.866 11451 194 1 . 1 1 41 41 PHE H H 41 8.289 8.289 8.602 -0.313 11451 195 1 . 1 1 42 42 HIS N N 42 121.477 121.477 119.460 2.017 11451 196 1 . 1 1 42 42 HIS HA H 42 4.276 4.276 4.511 -0.235 11451 197 1 . 1 1 42 42 HIS CA C 42 56.598 56.598 56.530 0.068 11451 198 1 . 1 1 42 42 HIS CB C 42 31.663 31.663 30.594 1.069 11451 199 1 . 1 1 42 42 HIS H H 42 7.862 7.862 8.001 -0.139 11451 200 1 . 1 1 43 43 ARG N N 43 123.403 123.403 118.353 5.050 11451 201 1 . 1 1 43 43 ARG HA H 43 4.616 4.616 4.807 -0.191 11451 202 1 . 1 1 43 43 ARG CA C 43 55.318 55.318 54.756 0.562 11451 203 1 . 1 1 43 43 ARG CB C 43 32.275 32.275 33.248 -0.973 11451 204 1 . 1 1 43 43 ARG H H 43 6.933 6.933 7.310 -0.377 11451 205 1 . 1 1 44 44 VAL N N 44 129.359 129.359 124.089 5.270 11451 206 1 . 1 1 44 44 VAL HA H 44 4.140 4.140 4.556 -0.416 11451 207 1 . 1 1 44 44 VAL CA C 44 62.374 62.374 60.538 1.836 11451 208 1 . 1 1 44 44 VAL CB C 44 35.191 35.191 35.168 0.023 11451 209 1 . 1 1 44 44 VAL H H 44 9.023 9.023 8.471 0.552 11451 210 1 . 1 1 45 45 ILE N N 45 126.532 126.532 126.007 0.525 11451 211 1 . 1 1 45 45 ILE HA H 45 4.236 4.236 4.463 -0.227 11451 212 1 . 1 1 45 45 ILE CA C 45 60.464 60.464 59.843 0.621 11451 213 1 . 1 1 45 45 ILE CB C 45 39.950 39.950 42.023 -2.073 11451 214 1 . 1 1 45 45 ILE H H 45 8.243 8.243 8.105 0.138 11451 215 1 . 1 1 46 46 ASN N N 46 128.015 128.015 127.129 0.886 11451 216 1 . 1 1 46 46 ASN HA H 46 4.161 4.161 4.582 -0.421 11451 217 1 . 1 1 46 46 ASN CA C 46 54.341 54.341 54.364 -0.023 11451 218 1 . 1 1 46 46 ASN CB C 46 36.674 36.674 38.611 -1.937 11451 219 1 . 1 1 46 46 ASN H H 46 9.127 9.127 8.764 0.363 11451 220 1 . 1 1 47 47 GLY N N 47 110.314 110.314 108.097 2.217 11451 221 1 . 1 1 47 47 GLY CA C 47 45.630 45.630 45.533 0.097 11451 222 1 . 1 1 47 47 GLY H H 47 7.542 7.542 8.877 -1.335 11451 223 1 . 1 1 48 48 PHE N N 48 116.701 116.701 118.610 -1.909 11451 224 1 . 1 1 48 48 PHE HA H 48 5.142 5.142 4.844 0.298 11451 225 1 . 1 1 48 48 PHE CA C 48 57.500 57.500 56.089 1.411 11451 226 1 . 1 1 48 48 PHE CB C 48 38.328 38.328 41.215 -2.887 11451 227 1 . 1 1 48 48 PHE H H 48 7.800 7.800 7.695 0.105 11451 228 1 . 1 1 49 49 MET N N 49 117.710 117.710 117.874 -0.164 11451 229 1 . 1 1 49 49 MET HA H 49 5.027 5.027 4.540 0.487 11451 230 1 . 1 1 49 49 MET CA C 49 55.009 55.009 53.349 1.660 11451 231 1 . 1 1 49 49 MET CB C 49 35.120 35.120 33.288 1.832 11451 232 1 . 1 1 49 49 MET H H 49 8.363 8.363 6.960 1.403 11451 233 1 . 1 1 50 50 ILE N N 50 110.774 110.774 113.109 -2.335 11451 234 1 . 1 1 50 50 ILE HA H 50 4.867 4.867 4.910 -0.043 11451 235 1 . 1 1 50 50 ILE CA C 50 59.735 59.735 59.282 0.454 11451 236 1 . 1 1 50 50 ILE CB C 50 40.261 40.261 40.871 -0.610 11451 237 1 . 1 1 50 50 ILE H H 50 7.749 7.749 7.708 0.041 11451 238 1 . 1 1 51 51 GLN N N 51 127.997 127.997 124.902 3.095 11451 239 1 . 1 1 51 51 GLN HA H 51 5.201 5.201 4.971 0.230 11451 240 1 . 1 1 51 51 GLN CA C 51 54.052 54.052 53.897 0.155 11451 241 1 . 1 1 51 51 GLN CB C 51 31.684 31.684 32.763 -1.078 11451 242 1 . 1 1 51 51 GLN H H 51 9.198 9.198 8.321 0.877 11451 243 1 . 1 1 52 52 GLY N N 52 111.413 111.413 107.976 3.437 11451 244 1 . 1 1 52 52 GLY CA C 52 45.293 45.293 44.176 1.117 11451 245 1 . 1 1 52 52 GLY H H 52 8.037 8.037 8.425 -0.388 11451 246 1 . 1 1 53 53 GLY N N 53 106.177 106.177 106.782 -0.605 11451 247 1 . 1 1 53 53 GLY CA C 53 46.077 46.077 46.125 -0.048 11451 248 1 . 1 1 53 53 GLY H H 53 8.334 8.334 8.197 0.137 11451 249 1 . 1 1 54 54 GLY N N 54 129.939 129.939 106.555 23.384 11451 250 1 . 1 1 54 54 GLY CA C 54 44.412 44.412 44.484 -0.072 11451 251 1 . 1 1 54 54 GLY H H 54 9.068 9.068 8.066 1.002 11451 252 1 . 1 1 55 55 PHE N N 55 121.195 121.195 116.419 4.776 11451 253 1 . 1 1 55 55 PHE HA H 55 4.887 4.887 5.016 -0.129 11451 254 1 . 1 1 55 55 PHE CA C 55 56.698 56.698 56.182 0.516 11451 255 1 . 1 1 55 55 PHE CB C 55 41.846 41.846 42.582 -0.736 11451 256 1 . 1 1 55 55 PHE H H 55 9.329 9.329 7.296 2.033 11451 257 1 . 1 1 56 56 GLU N N 56 120.126 120.126 119.855 0.271 11451 258 1 . 1 1 56 56 GLU HA H 56 4.848 4.848 5.084 -0.236 11451 259 1 . 1 1 56 56 GLU CA C 56 54.199 54.199 53.426 0.773 11451 260 1 . 1 1 56 56 GLU CB C 56 29.452 29.452 30.147 -0.695 11451 261 1 . 1 1 56 56 GLU H H 56 8.531 8.531 8.245 0.286 11451 262 1 . 1 1 57 57 PRO HA H 57 3.990 3.990 4.327 -0.337 11451 263 1 . 1 1 57 57 PRO CA C 57 64.863 64.863 64.411 0.453 11451 264 1 . 1 1 57 57 PRO CB C 57 30.868 30.868 31.652 -0.784 11451 265 1 . 1 1 58 58 GLY N N 58 113.477 113.477 105.249 8.228 11451 266 1 . 1 1 58 58 GLY CA C 58 44.366 44.366 44.266 0.100 11451 267 1 . 1 1 58 58 GLY H H 58 9.454 9.454 8.015 1.439 11451 268 1 . 1 1 59 59 MET N N 59 114.007 114.007 116.429 -2.422 11451 269 1 . 1 1 59 59 MET HA H 59 3.946 3.946 3.833 0.113 11451 270 1 . 1 1 59 59 MET CA C 59 54.650 54.650 55.813 -1.163 11451 271 1 . 1 1 59 59 MET CB C 59 25.875 25.875 29.075 -3.200 11451 272 1 . 1 1 59 59 MET H H 59 8.027 8.027 7.878 0.149 11451 273 1 . 1 1 60 60 LYS N N 60 120.420 120.420 120.289 0.131 11451 274 1 . 1 1 60 60 LYS HA H 60 4.466 4.466 4.476 -0.010 11451 275 1 . 1 1 60 60 LYS CA C 60 54.958 54.958 55.728 -0.770 11451 276 1 . 1 1 60 60 LYS CB C 60 32.310 32.310 32.946 -0.636 11451 277 1 . 1 1 60 60 LYS H H 60 6.996 6.996 7.666 -0.670 11451 278 1 . 1 1 61 61 GLN N N 61 130.250 130.250 126.187 4.063 11451 279 1 . 1 1 61 61 GLN HA H 61 3.386 3.386 4.195 -0.809 11451 280 1 . 1 1 61 61 GLN CA C 61 56.779 56.779 56.324 0.455 11451 281 1 . 1 1 61 61 GLN CB C 61 28.441 28.441 29.409 -0.968 11451 282 1 . 1 1 61 61 GLN H H 61 8.965 8.965 8.768 0.197 11451 283 1 . 1 1 62 62 LYS N N 62 126.196 126.196 125.776 0.420 11451 284 1 . 1 1 62 62 LYS HA H 62 4.130 4.130 4.254 -0.124 11451 285 1 . 1 1 62 62 LYS CA C 62 56.690 56.690 55.911 0.779 11451 286 1 . 1 1 62 62 LYS CB C 62 32.772 32.772 32.739 0.033 11451 287 1 . 1 1 62 62 LYS H H 62 7.323 7.323 7.962 -0.638 11451 288 1 . 1 1 63 63 ALA N N 63 127.588 127.588 124.807 2.781 11451 289 1 . 1 1 63 63 ALA HA H 63 4.284 4.284 4.512 -0.228 11451 290 1 . 1 1 63 63 ALA CA C 63 52.645 52.645 51.485 1.160 11451 291 1 . 1 1 63 63 ALA CB C 63 18.373 18.373 17.460 0.912 11451 292 1 . 1 1 63 63 ALA H H 63 8.458 8.458 8.702 -0.243 11451 293 1 . 1 1 64 64 THR N N 64 111.370 111.370 114.478 -3.108 11451 294 1 . 1 1 64 64 THR HA H 64 4.550 4.550 4.246 0.304 11451 295 1 . 1 1 64 64 THR CA C 64 60.554 60.554 62.401 -1.847 11451 296 1 . 1 1 64 64 THR CB C 64 71.700 71.700 69.140 2.560 11451 297 1 . 1 1 64 64 THR H H 64 8.122 8.122 7.791 0.331 11451 298 1 . 1 1 65 65 LYS N N 65 118.451 118.451 125.997 -7.546 11451 299 1 . 1 1 65 65 LYS HA H 65 4.419 4.419 4.510 -0.091 11451 300 1 . 1 1 65 65 LYS CA C 65 55.346 55.346 55.005 0.341 11451 301 1 . 1 1 65 65 LYS CB C 65 32.482 32.482 35.295 -2.813 11451 302 1 . 1 1 65 65 LYS H H 65 7.879 7.879 8.270 -0.391 11451 303 1 . 1 1 66 66 GLU N N 66 118.805 118.805 119.260 -0.455 11451 304 1 . 1 1 66 66 GLU HA H 66 4.157 4.157 4.122 0.035 11451 305 1 . 1 1 66 66 GLU CA C 66 55.882 55.882 56.343 -0.461 11451 306 1 . 1 1 66 66 GLU CB C 66 28.350 28.350 28.087 0.263 11451 307 1 . 1 1 66 66 GLU H H 66 7.872 7.872 8.635 -0.763 11451 308 1 . 1 1 67 67 PRO HA H 67 4.854 4.854 4.478 0.376 11451 309 1 . 1 1 67 67 PRO CA C 67 62.155 62.155 63.330 -1.175 11451 310 1 . 1 1 67 67 PRO CB C 67 32.690 32.690 32.181 0.509 11451 311 1 . 1 1 68 68 ILE N N 68 112.686 112.686 122.652 -9.966 11451 312 1 . 1 1 68 68 ILE HA H 68 4.437 4.437 4.464 -0.027 11451 313 1 . 1 1 68 68 ILE CA C 68 58.971 58.971 59.759 -0.788 11451 314 1 . 1 1 68 68 ILE CB C 68 41.525 41.525 40.427 1.098 11451 315 1 . 1 1 68 68 ILE H H 68 8.235 8.235 8.430 -0.195 11451 316 1 . 1 1 69 69 LYS N N 69 121.199 121.199 122.613 -1.414 11451 317 1 . 1 1 69 69 LYS HA H 69 3.941 3.941 4.608 -0.667 11451 318 1 . 1 1 69 69 LYS CA C 69 55.060 55.060 55.198 -0.138 11451 319 1 . 1 1 69 69 LYS CB C 69 32.140 32.140 32.986 -0.846 11451 320 1 . 1 1 69 69 LYS H H 69 7.849 7.849 8.319 -0.470 11451 321 1 . 1 1 70 70 ASN N N 70 126.585 126.585 120.044 6.541 11451 322 1 . 1 1 70 70 ASN HA H 70 4.222 4.222 4.673 -0.451 11451 323 1 . 1 1 70 70 ASN CA C 70 53.328 53.328 53.965 -0.637 11451 324 1 . 1 1 70 70 ASN CB C 70 37.137 37.137 38.741 -1.604 11451 325 1 . 1 1 70 70 ASN H H 70 10.816 10.816 8.973 1.843 11451 326 1 . 1 1 71 71 GLU N N 71 126.223 126.223 123.082 3.141 11451 327 1 . 1 1 71 71 GLU HA H 71 4.653 4.653 4.590 0.063 11451 328 1 . 1 1 71 71 GLU CA C 71 55.597 55.597 56.870 -1.273 11451 329 1 . 1 1 71 71 GLU CB C 71 29.780 29.780 29.290 0.490 11451 330 1 . 1 1 71 71 GLU H H 71 8.202 8.202 8.841 -0.639 11451 331 1 . 1 1 72 72 ALA N N 72 120.736 120.736 122.618 -1.882 11451 332 1 . 1 1 72 72 ALA HA H 72 4.232 4.232 4.178 0.054 11451 333 1 . 1 1 72 72 ALA CA C 72 55.120 55.120 54.639 0.481 11451 334 1 . 1 1 72 72 ALA CB C 72 18.506 18.506 19.010 -0.504 11451 335 1 . 1 1 72 72 ALA H H 72 9.149 9.149 8.405 0.744 11451 336 1 . 1 1 73 73 ASN N N 73 114.744 114.744 116.379 -1.635 11451 337 1 . 1 1 73 73 ASN HA H 73 3.181 3.181 2.708 0.473 11451 338 1 . 1 1 73 73 ASN CA C 73 52.331 52.331 53.506 -1.175 11451 339 1 . 1 1 73 73 ASN CB C 73 34.676 34.676 36.667 -1.991 11451 340 1 . 1 1 73 73 ASN H H 73 7.892 7.892 8.436 -0.544 11451 341 1 . 1 1 74 74 ASN N N 74 119.796 119.796 117.624 2.172 11451 342 1 . 1 1 74 74 ASN HA H 74 4.379 4.379 4.567 -0.188 11451 343 1 . 1 1 74 74 ASN CA C 74 52.767 52.767 53.236 -0.469 11451 344 1 . 1 1 74 74 ASN CB C 74 38.415 38.415 38.612 -0.197 11451 345 1 . 1 1 74 74 ASN H H 74 8.408 8.408 7.441 0.967 11451 346 1 . 1 1 75 75 GLY N N 75 108.891 108.891 107.885 1.006 11451 347 1 . 1 1 75 75 GLY CA C 75 45.627 45.627 45.308 0.319 11451 348 1 . 1 1 75 75 GLY H H 75 7.971 7.971 7.643 0.328 11451 349 1 . 1 1 76 76 LEU N N 76 120.602 120.602 120.186 0.416 11451 350 1 . 1 1 76 76 LEU HA H 76 4.311 4.311 4.344 -0.033 11451 351 1 . 1 1 76 76 LEU CA C 76 54.599 54.599 54.983 -0.384 11451 352 1 . 1 1 76 76 LEU CB C 76 41.088 41.088 42.730 -1.642 11451 353 1 . 1 1 76 76 LEU H H 76 7.734 7.734 7.772 -0.038 11451 354 1 . 1 1 77 77 LYS N N 77 121.982 121.982 119.258 2.724 11451 355 1 . 1 1 77 77 LYS HA H 77 4.450 4.450 4.783 -0.333 11451 356 1 . 1 1 77 77 LYS CA C 77 55.001 55.001 54.932 0.069 11451 357 1 . 1 1 77 77 LYS CB C 77 34.700 34.700 35.690 -0.990 11451 358 1 . 1 1 77 77 LYS H H 77 8.161 8.161 8.242 -0.081 11451 359 1 . 1 1 78 78 ASN N N 78 124.764 124.764 122.884 1.880 11451 360 1 . 1 1 78 78 ASN HA H 78 4.667 4.667 5.077 -0.410 11451 361 1 . 1 1 78 78 ASN CA C 78 54.314 54.314 53.039 1.274 11451 362 1 . 1 1 78 78 ASN CB C 78 37.130 37.130 39.329 -2.199 11451 363 1 . 1 1 78 78 ASN H H 78 9.564 9.564 9.356 0.208 11451 364 1 . 1 1 79 79 THR N N 79 114.955 114.955 113.291 1.664 11451 365 1 . 1 1 79 79 THR HA H 79 4.263 4.263 4.838 -0.575 11451 366 1 . 1 1 79 79 THR CA C 79 60.774 60.774 59.997 0.777 11451 367 1 . 1 1 79 79 THR CB C 79 70.347 70.347 71.601 -1.254 11451 368 1 . 1 1 79 79 THR H H 79 8.190 8.190 8.202 -0.012 11451 369 1 . 1 1 80 80 ARG N N 80 124.080 124.080 123.017 1.063 11451 370 1 . 1 1 80 80 ARG HA H 80 3.203 3.203 3.999 -0.796 11451 371 1 . 1 1 80 80 ARG CA C 80 58.487 58.487 57.211 1.276 11451 372 1 . 1 1 80 80 ARG CB C 80 28.909 28.909 29.515 -0.606 11451 373 1 . 1 1 80 80 ARG H H 80 9.203 9.203 9.070 0.133 11451 374 1 . 1 1 81 81 GLY N N 81 115.741 115.741 114.647 1.094 11451 375 1 . 1 1 81 81 GLY CA C 81 45.071 45.071 45.205 -0.134 11451 376 1 . 1 1 81 81 GLY H H 81 8.976 8.976 9.234 -0.258 11451 377 1 . 1 1 82 82 THR N N 82 110.362 110.362 111.388 -1.026 11451 378 1 . 1 1 82 82 THR HA H 82 4.623 4.623 4.626 -0.003 11451 379 1 . 1 1 82 82 THR CA C 82 61.694 61.694 59.839 1.855 11451 380 1 . 1 1 82 82 THR CB C 82 72.230 72.230 71.554 0.677 11451 381 1 . 1 1 82 82 THR H H 82 8.070 8.070 7.561 0.509 11451 382 1 . 1 1 83 83 LEU N N 83 121.341 121.341 122.642 -1.301 11451 383 1 . 1 1 83 83 LEU HA H 83 5.219 5.219 5.334 -0.115 11451 384 1 . 1 1 83 83 LEU CA C 83 54.350 54.350 53.901 0.448 11451 385 1 . 1 1 83 83 LEU CB C 83 43.519 43.519 45.908 -2.389 11451 386 1 . 1 1 83 83 LEU H H 83 7.918 7.918 8.304 -0.386 11451 387 1 . 1 1 84 84 ALA N N 84 121.663 121.663 123.656 -1.993 11451 388 1 . 1 1 84 84 ALA HA H 84 5.517 5.517 5.278 0.239 11451 389 1 . 1 1 84 84 ALA CA C 84 49.069 49.069 49.680 -0.611 11451 390 1 . 1 1 84 84 ALA CB C 84 23.985 23.985 22.668 1.317 11451 391 1 . 1 1 84 84 ALA H H 84 8.053 8.053 8.015 0.038 11451 392 1 . 1 1 85 85 MET N N 85 115.338 115.338 118.380 -3.042 11451 393 1 . 1 1 85 85 MET HA H 85 5.241 5.241 4.811 0.430 11451 394 1 . 1 1 85 85 MET CA C 85 52.707 52.707 54.316 -1.609 11451 395 1 . 1 1 85 85 MET CB C 85 29.801 29.801 33.055 -3.253 11451 396 1 . 1 1 85 85 MET H H 85 7.539 7.539 8.134 -0.595 11451 397 1 . 1 1 86 86 ALA N N 86 126.558 126.558 125.986 0.572 11451 398 1 . 1 1 86 86 ALA HA H 86 4.683 4.683 4.897 -0.214 11451 399 1 . 1 1 86 86 ALA CA C 86 51.207 51.207 51.169 0.038 11451 400 1 . 1 1 86 86 ALA CB C 86 19.416 19.416 20.718 -1.302 11451 401 1 . 1 1 86 86 ALA H H 86 8.287 8.287 8.714 -0.427 11451 402 1 . 1 1 87 87 ARG N N 87 113.623 113.623 119.723 -6.100 11451 403 1 . 1 1 87 87 ARG HA H 87 4.634 4.634 4.734 -0.100 11451 404 1 . 1 1 87 87 ARG CA C 87 55.768 55.768 55.383 0.385 11451 405 1 . 1 1 87 87 ARG CB C 87 29.722 29.722 32.068 -2.346 11451 406 1 . 1 1 87 87 ARG H H 87 8.031 8.031 8.545 -0.514 11451 407 1 . 1 1 88 88 THR N N 88 111.627 111.627 115.638 -4.011 11451 408 1 . 1 1 88 88 THR HA H 88 4.624 4.624 4.283 0.341 11451 409 1 . 1 1 88 88 THR CA C 88 60.554 60.554 64.742 -4.188 11451 410 1 . 1 1 88 88 THR CB C 88 68.430 68.430 69.449 -1.019 11451 411 1 . 1 1 88 88 THR H H 88 7.892 7.892 8.467 -0.575 11451 412 1 . 1 1 89 89 GLN N N 89 117.361 117.361 117.242 0.119 11451 413 1 . 1 1 89 89 GLN HA H 89 3.851 3.851 4.418 -0.567 11451 414 1 . 1 1 89 89 GLN CA C 89 58.911 58.911 56.644 2.267 11451 415 1 . 1 1 89 89 GLN CB C 89 28.370 28.370 30.113 -1.743 11451 416 1 . 1 1 89 89 GLN H H 89 8.188 8.188 8.244 -0.056 11451 417 1 . 1 1 90 90 ALA N N 90 122.998 122.998 124.271 -1.273 11451 418 1 . 1 1 90 90 ALA HA H 90 4.345 4.345 4.642 -0.297 11451 419 1 . 1 1 90 90 ALA CA C 90 49.726 49.726 50.249 -0.523 11451 420 1 . 1 1 90 90 ALA CB C 90 17.174 17.174 18.326 -1.152 11451 421 1 . 1 1 90 90 ALA H H 90 7.962 7.962 8.012 -0.050 11451 422 1 . 1 1 91 91 PRO HA H 91 3.468 3.468 3.934 -0.466 11451 423 1 . 1 1 91 91 PRO CA C 91 65.437 65.437 64.252 1.185 11451 424 1 . 1 1 91 91 PRO CB C 91 29.969 29.969 31.398 -1.430 11451 425 1 . 1 1 92 92 HIS N N 92 118.470 118.470 114.607 3.863 11451 426 1 . 1 1 92 92 HIS HA H 92 4.824 4.824 4.921 -0.097 11451 427 1 . 1 1 92 92 HIS CA C 92 54.201 54.201 55.233 -1.032 11451 428 1 . 1 1 92 92 HIS CB C 92 28.309 28.309 29.002 -0.693 11451 429 1 . 1 1 92 92 HIS H H 92 7.977 7.977 7.988 -0.011 11451 430 1 . 1 1 93 93 SER N N 93 108.425 108.425 114.818 -6.394 11451 431 1 . 1 1 93 93 SER HA H 93 4.380 4.380 4.628 -0.248 11451 432 1 . 1 1 93 93 SER CA C 93 57.696 57.696 57.890 -0.194 11451 433 1 . 1 1 93 93 SER CB C 93 65.924 65.924 63.790 2.134 11451 434 1 . 1 1 93 93 SER H H 93 6.374 6.374 7.711 -1.337 11451 435 1 . 1 1 94 94 ALA N N 94 130.109 130.109 125.828 4.281 11451 436 1 . 1 1 94 94 ALA HA H 94 4.276 4.276 4.990 -0.714 11451 437 1 . 1 1 94 94 ALA CA C 94 54.173 54.173 51.343 2.830 11451 438 1 . 1 1 94 94 ALA CB C 94 20.366 20.366 19.239 1.127 11451 439 1 . 1 1 94 94 ALA H H 94 8.543 8.543 7.428 1.115 11451 440 1 . 1 1 95 95 THR N N 95 110.794 110.794 115.770 -4.976 11451 441 1 . 1 1 95 95 THR HA H 95 4.722 4.722 4.413 0.309 11451 442 1 . 1 1 95 95 THR CA C 95 59.725 59.725 63.752 -4.027 11451 443 1 . 1 1 95 95 THR CB C 95 70.157 70.157 69.686 0.471 11451 444 1 . 1 1 95 95 THR H H 95 8.925 8.925 8.166 0.759 11451 445 1 . 1 1 96 96 ALA N N 96 121.615 121.615 122.167 -0.552 11451 446 1 . 1 1 96 96 ALA HA H 96 4.427 4.427 4.808 -0.381 11451 447 1 . 1 1 96 96 ALA CA C 96 51.536 51.536 51.628 -0.092 11451 448 1 . 1 1 96 96 ALA CB C 96 23.216 23.216 19.634 3.582 11451 449 1 . 1 1 96 96 ALA H H 96 7.954 7.954 8.274 -0.320 11451 450 1 . 1 1 97 97 GLN N N 97 115.548 115.548 119.202 -3.654 11451 451 1 . 1 1 97 97 GLN HA H 97 4.629 4.629 4.951 -0.322 11451 452 1 . 1 1 97 97 GLN CA C 97 57.388 57.388 55.529 1.859 11451 453 1 . 1 1 97 97 GLN CB C 97 30.757 30.757 30.927 -0.170 11451 454 1 . 1 1 97 97 GLN H H 97 7.866 7.866 8.096 -0.230 11451 455 1 . 1 1 98 98 PHE N N 98 117.593 117.593 119.082 -1.489 11451 456 1 . 1 1 98 98 PHE HA H 98 5.788 5.788 5.566 0.222 11451 457 1 . 1 1 98 98 PHE CA C 98 54.655 54.655 55.827 -1.173 11451 458 1 . 1 1 98 98 PHE CB C 98 43.225 43.225 43.106 0.119 11451 459 1 . 1 1 98 98 PHE H H 98 7.623 7.623 8.345 -0.722 11451 460 1 . 1 1 99 99 PHE N N 99 116.226 116.226 114.558 1.668 11451 461 1 . 1 1 99 99 PHE HA H 99 5.732 5.732 5.263 0.469 11451 462 1 . 1 1 99 99 PHE CA C 99 55.049 55.049 55.609 -0.559 11451 463 1 . 1 1 99 99 PHE CB C 99 44.020 44.020 42.180 1.840 11451 464 1 . 1 1 99 99 PHE H H 99 9.518 9.518 8.732 0.786 11451 465 1 . 1 1 100 100 ILE N N 100 117.687 117.687 120.427 -2.740 11451 466 1 . 1 1 100 100 ILE HA H 100 4.827 4.827 4.824 0.003 11451 467 1 . 1 1 100 100 ILE CA C 100 59.349 59.349 60.132 -0.783 11451 468 1 . 1 1 100 100 ILE CB C 100 39.669 39.669 39.771 -0.102 11451 469 1 . 1 1 100 100 ILE H H 100 9.136 9.136 8.936 0.200 11451 470 1 . 1 1 101 101 ASN N N 101 126.524 126.524 128.143 -1.619 11451 471 1 . 1 1 101 101 ASN HA H 101 4.459 4.459 4.768 -0.309 11451 472 1 . 1 1 101 101 ASN CA C 101 55.733 55.733 53.342 2.391 11451 473 1 . 1 1 101 101 ASN CB C 101 39.926 39.926 38.152 1.774 11451 474 1 . 1 1 101 101 ASN H H 101 8.877 8.877 9.203 -0.326 11451 475 1 . 1 1 102 102 VAL N N 102 117.660 117.660 120.738 -3.078 11451 476 1 . 1 1 102 102 VAL HA H 102 4.411 4.411 4.007 0.404 11451 477 1 . 1 1 102 102 VAL CA C 102 61.907 61.907 63.233 -1.327 11451 478 1 . 1 1 102 102 VAL CB C 102 30.370 30.370 32.458 -2.088 11451 479 1 . 1 1 102 102 VAL H H 102 7.700 7.700 7.855 -0.155 11451 480 1 . 1 1 103 103 VAL N N 103 116.637 116.637 112.290 4.347 11451 481 1 . 1 1 103 103 VAL HA H 103 4.353 4.353 4.440 -0.087 11451 482 1 . 1 1 103 103 VAL CA C 103 59.659 59.659 58.744 0.915 11451 483 1 . 1 1 103 103 VAL CB C 103 35.510 35.510 34.840 0.670 11451 484 1 . 1 1 103 103 VAL H H 103 7.753 7.753 7.055 0.698 11451 485 1 . 1 1 104 104 ASP N N 104 118.510 118.510 121.765 -3.255 11451 486 1 . 1 1 104 104 ASP HA H 104 4.255 4.255 4.616 -0.361 11451 487 1 . 1 1 104 104 ASP CA C 104 55.500 55.500 55.010 0.490 11451 488 1 . 1 1 104 104 ASP CB C 104 39.088 39.088 41.086 -1.998 11451 489 1 . 1 1 104 104 ASP H H 104 8.171 8.171 8.480 -0.309 11451 490 1 . 1 1 105 105 ASN N N 105 128.132 128.132 124.000 4.132 11451 491 1 . 1 1 105 105 ASN HA H 105 5.079 5.079 4.880 0.199 11451 492 1 . 1 1 105 105 ASN CA C 105 51.529 51.529 52.130 -0.601 11451 493 1 . 1 1 105 105 ASN CB C 105 39.135 39.135 39.081 0.054 11451 494 1 . 1 1 105 105 ASN H H 105 8.352 8.352 8.391 -0.038 11451 495 1 . 1 1 106 106 ASP N N 106 121.636 121.636 121.715 -0.079 11451 496 1 . 1 1 106 106 ASP HA H 106 4.271 4.271 4.451 -0.180 11451 497 1 . 1 1 106 106 ASP CA C 106 56.787 56.787 56.964 -0.177 11451 498 1 . 1 1 106 106 ASP CB C 106 39.805 39.805 40.827 -1.022 11451 499 1 . 1 1 106 106 ASP H H 106 8.203 8.203 8.727 -0.524 11451 500 1 . 1 1 107 107 PHE N N 107 114.525 114.525 115.433 -0.907 11451 501 1 . 1 1 107 107 PHE HA H 107 4.498 4.498 4.451 0.047 11451 502 1 . 1 1 107 107 PHE CA C 107 57.395 57.395 58.952 -1.557 11451 503 1 . 1 1 107 107 PHE CB C 107 36.780 36.780 38.054 -1.274 11451 504 1 . 1 1 107 107 PHE H H 107 7.388 7.388 7.788 -0.400 11451 505 1 . 1 1 108 108 LEU N N 108 121.576 121.576 118.242 3.334 11451 506 1 . 1 1 108 108 LEU HA H 108 4.466 4.466 4.455 0.011 11451 507 1 . 1 1 108 108 LEU CA C 108 54.478 54.478 55.236 -0.758 11451 508 1 . 1 1 108 108 LEU CB C 108 42.099 42.099 41.292 0.807 11451 509 1 . 1 1 108 108 LEU H H 108 7.163 7.163 7.385 -0.222 11451 510 1 . 1 1 109 109 ASN N N 109 116.121 116.121 117.923 -1.802 11451 511 1 . 1 1 109 109 ASN HA H 109 5.149 5.149 4.911 0.238 11451 512 1 . 1 1 109 109 ASN CA C 109 52.970 52.970 53.171 -0.201 11451 513 1 . 1 1 109 109 ASN CB C 109 38.119 38.119 39.163 -1.044 11451 514 1 . 1 1 109 109 ASN H H 109 7.312 7.312 7.686 -0.374 11451 515 1 . 1 1 110 110 PHE N N 110 124.182 124.182 120.062 4.120 11451 516 1 . 1 1 110 110 PHE HA H 110 4.252 4.252 4.723 -0.472 11451 517 1 . 1 1 110 110 PHE CA C 110 59.055 59.055 59.289 -0.234 11451 518 1 . 1 1 110 110 PHE CB C 110 39.793 39.793 40.318 -0.525 11451 519 1 . 1 1 110 110 PHE H H 110 8.825 8.825 8.543 0.282 11451 520 1 . 1 1 111 111 SER N N 111 122.136 122.136 120.266 1.870 11451 521 1 . 1 1 111 111 SER HA H 111 4.179 4.179 4.382 -0.203 11451 522 1 . 1 1 111 111 SER CA C 111 57.521 57.521 57.835 -0.314 11451 523 1 . 1 1 111 111 SER CB C 111 64.617 64.617 64.220 0.397 11451 524 1 . 1 1 111 111 SER H H 111 9.456 9.456 7.901 1.555 11451 525 1 . 1 1 112 112 GLY N N 112 110.435 110.435 107.912 2.523 11451 526 1 . 1 1 112 112 GLY CA C 112 45.378 45.378 44.855 0.523 11451 527 1 . 1 1 112 112 GLY H H 112 5.514 5.514 6.940 -1.426 11451 528 1 . 1 1 113 113 GLU N N 113 118.926 118.926 117.132 1.794 11451 529 1 . 1 1 113 113 GLU HA H 113 2.647 2.647 3.569 -0.921 11451 530 1 . 1 1 113 113 GLU CA C 113 54.970 54.970 57.269 -2.299 11451 531 1 . 1 1 113 113 GLU CB C 113 26.663 26.663 29.080 -2.417 11451 532 1 . 1 1 113 113 GLU H H 113 7.862 7.862 7.999 -0.137 11451 533 1 . 1 1 114 114 SER N N 114 119.323 119.323 113.929 5.394 11451 534 1 . 1 1 114 114 SER HA H 114 4.625 4.625 4.793 -0.168 11451 535 1 . 1 1 114 114 SER CA C 114 56.279 56.279 56.662 -0.383 11451 536 1 . 1 1 114 114 SER H H 114 7.621 7.621 7.799 -0.178 11451 537 1 . 1 1 115 115 LEU N N 115 122.373 122.373 128.089 -5.716 11451 538 1 . 1 1 115 115 LEU HA H 115 4.117 4.117 4.000 0.117 11451 539 1 . 1 1 115 115 LEU CA C 115 58.960 58.960 57.410 1.550 11451 540 1 . 1 1 115 115 LEU CB C 115 41.125 41.125 41.944 -0.819 11451 541 1 . 1 1 115 115 LEU H H 115 8.745 8.745 9.044 -0.299 11451 542 1 . 1 1 116 116 GLN N N 116 114.490 114.490 116.072 -1.582 11451 543 1 . 1 1 116 116 GLN HA H 116 4.262 4.262 4.273 -0.011 11451 544 1 . 1 1 116 116 GLN CA C 116 57.127 57.127 56.669 0.458 11451 545 1 . 1 1 116 116 GLN CB C 116 28.197 28.197 28.515 -0.318 11451 546 1 . 1 1 116 116 GLN H H 116 8.292 8.292 8.308 -0.016 11451 547 1 . 1 1 117 117 GLY N N 117 109.729 109.729 108.582 1.147 11451 548 1 . 1 1 117 117 GLY CA C 117 45.541 45.541 44.969 0.572 11451 549 1 . 1 1 117 117 GLY H H 117 7.832 7.832 8.216 -0.384 11451 550 1 . 1 1 118 118 TRP N N 118 123.807 123.807 123.612 0.195 11451 551 1 . 1 1 118 118 TRP HA H 118 4.314 4.314 4.901 -0.587 11451 552 1 . 1 1 118 118 TRP CA C 118 62.294 62.294 54.436 7.858 11451 553 1 . 1 1 118 118 TRP CB C 118 30.167 30.167 28.127 2.040 11451 554 1 . 1 1 118 118 TRP H H 118 7.801 7.801 7.840 -0.039 11451 555 1 . 1 1 119 119 GLY N N 119 124.815 124.815 111.460 13.355 11451 556 1 . 1 1 119 119 GLY CA C 119 45.319 45.319 45.089 0.229 11451 557 1 . 1 1 119 119 GLY H H 119 7.438 7.438 8.441 -1.003 11451 558 1 . 1 1 120 120 TYR N N 120 119.720 119.720 118.288 1.432 11451 559 1 . 1 1 120 120 TYR HA H 120 5.202 5.202 5.025 0.177 11451 560 1 . 1 1 120 120 TYR CA C 120 57.319 57.319 57.075 0.244 11451 561 1 . 1 1 120 120 TYR CB C 120 39.739 39.739 42.141 -2.402 11451 562 1 . 1 1 120 120 TYR H H 120 8.281 8.281 8.381 -0.100 11451 563 1 . 1 1 121 121 CYS N N 121 126.117 126.117 122.537 3.580 11451 564 1 . 1 1 121 121 CYS HA H 121 4.239 4.239 4.722 -0.483 11451 565 1 . 1 1 121 121 CYS CA C 121 59.697 59.697 58.302 1.395 11451 566 1 . 1 1 121 121 CYS CB C 121 28.010 28.010 28.910 -0.900 11451 567 1 . 1 1 121 121 CYS H H 121 9.818 9.818 9.136 0.682 11451 568 1 . 1 1 122 122 VAL N N 122 106.168 106.168 130.031 -23.863 11451 569 1 . 1 1 122 122 VAL HA H 122 4.563 4.563 4.230 0.333 11451 570 1 . 1 1 122 122 VAL CA C 122 62.650 62.650 62.942 -0.292 11451 571 1 . 1 1 122 122 VAL CB C 122 31.479 31.479 30.402 1.077 11451 572 1 . 1 1 122 122 VAL H H 122 9.382 9.382 8.929 0.453 11451 573 1 . 1 1 123 123 PHE N N 123 118.398 118.398 124.206 -5.808 11451 574 1 . 1 1 123 123 PHE HA H 123 4.861 4.861 4.600 0.261 11451 575 1 . 1 1 123 123 PHE CA C 123 54.939 54.939 57.785 -2.846 11451 576 1 . 1 1 123 123 PHE CB C 123 41.640 41.640 39.574 2.066 11451 577 1 . 1 1 123 123 PHE H H 123 7.842 7.842 8.121 -0.279 11451 578 1 . 1 1 124 124 ALA N N 124 124.412 124.412 118.453 5.959 11451 579 1 . 1 1 124 124 ALA HA H 124 3.650 3.650 3.653 -0.003 11451 580 1 . 1 1 124 124 ALA CA C 124 50.759 50.759 50.551 0.208 11451 581 1 . 1 1 124 124 ALA CB C 124 22.635 22.635 20.699 1.936 11451 582 1 . 1 1 124 124 ALA H H 124 7.327 7.327 6.965 0.362 11451 583 1 . 1 1 125 125 GLU N N 125 115.272 115.272 117.641 -2.369 11451 584 1 . 1 1 125 125 GLU HA H 125 4.771 4.771 4.658 0.113 11451 585 1 . 1 1 125 125 GLU CA C 125 54.651 54.651 54.187 0.464 11451 586 1 . 1 1 125 125 GLU CB C 125 32.770 32.770 33.552 -0.782 11451 587 1 . 1 1 125 125 GLU H H 125 8.223 8.223 8.170 0.053 11451 588 1 . 1 1 126 126 VAL N N 126 123.948 123.948 121.668 2.280 11451 589 1 . 1 1 126 126 VAL HA H 126 3.909 3.909 3.952 -0.043 11451 590 1 . 1 1 126 126 VAL CA C 126 63.265 63.265 63.494 -0.229 11451 591 1 . 1 1 126 126 VAL CB C 126 31.810 31.810 32.480 -0.670 11451 592 1 . 1 1 126 126 VAL H H 126 8.786 8.786 8.208 0.578 11451 593 1 . 1 1 127 127 VAL N N 127 123.644 123.644 127.116 -3.472 11451 594 1 . 1 1 127 127 VAL HA H 127 4.350 4.350 4.191 0.159 11451 595 1 . 1 1 127 127 VAL CA C 127 61.494 61.494 63.321 -1.827 11451 596 1 . 1 1 127 127 VAL CB C 127 32.482 32.482 32.954 -0.473 11451 597 1 . 1 1 127 127 VAL H H 127 9.096 9.096 8.956 0.140 11451 598 1 . 1 1 128 128 ASP N N 128 121.165 121.165 119.026 2.139 11451 599 1 . 1 1 128 128 ASP HA H 128 4.922 4.922 4.816 0.106 11451 600 1 . 1 1 128 128 ASP CA C 128 54.401 54.401 53.714 0.687 11451 601 1 . 1 1 128 128 ASP CB C 128 43.049 43.049 44.267 -1.218 11451 602 1 . 1 1 128 128 ASP H H 128 7.719 7.719 7.699 0.020 11451 603 1 . 1 1 129 129 GLY N N 129 110.821 110.821 108.339 2.482 11451 604 1 . 1 1 129 129 GLY CA C 129 45.761 45.761 45.599 0.162 11451 605 1 . 1 1 129 129 GLY H H 129 8.276 8.276 8.931 -0.656 11451 606 1 . 1 1 130 130 MET N N 130 122.991 122.991 120.285 2.706 11451 607 1 . 1 1 130 130 MET HA H 130 4.468 4.468 4.190 0.278 11451 608 1 . 1 1 130 130 MET CA C 130 55.953 55.953 57.519 -1.566 11451 609 1 . 1 1 130 130 MET CB C 130 28.771 28.771 31.370 -2.599 11451 610 1 . 1 1 130 130 MET H H 130 8.945 8.945 8.444 0.501 11451 611 1 . 1 1 131 131 ASP N N 131 117.183 117.183 118.604 -1.421 11451 612 1 . 1 1 131 131 ASP HA H 131 4.245 4.245 4.443 -0.198 11451 613 1 . 1 1 131 131 ASP CA C 131 56.639 56.639 57.356 -0.717 11451 614 1 . 1 1 131 131 ASP CB C 131 38.678 38.678 40.356 -1.678 11451 615 1 . 1 1 131 131 ASP H H 131 8.924 8.924 8.735 0.189 11451 616 1 . 1 1 132 132 VAL N N 132 124.340 124.340 119.782 4.558 11451 617 1 . 1 1 132 132 VAL HA H 132 3.439 3.439 3.790 -0.351 11451 618 1 . 1 1 132 132 VAL CA C 132 66.015 66.015 65.518 0.497 11451 619 1 . 1 1 132 132 VAL CB C 132 30.781 30.781 31.827 -1.046 11451 620 1 . 1 1 132 132 VAL H H 132 7.222 7.222 7.620 -0.398 11451 621 1 . 1 1 133 133 VAL N N 133 121.730 121.730 120.853 0.877 11451 622 1 . 1 1 133 133 VAL HA H 133 3.018 3.018 3.446 -0.428 11451 623 1 . 1 1 133 133 VAL CA C 133 67.076 67.076 66.993 0.083 11451 624 1 . 1 1 133 133 VAL CB C 133 30.820 30.820 31.272 -0.452 11451 625 1 . 1 1 133 133 VAL H H 133 7.367 7.367 8.089 -0.722 11451 626 1 . 1 1 134 134 ASP N N 134 117.555 117.555 117.791 -0.236 11451 627 1 . 1 1 134 134 ASP HA H 134 4.250 4.250 4.352 -0.102 11451 628 1 . 1 1 134 134 ASP CA C 134 56.263 56.263 56.885 -0.622 11451 629 1 . 1 1 134 134 ASP CB C 134 39.812 39.812 41.050 -1.238 11451 630 1 . 1 1 134 134 ASP H H 134 8.411 8.411 8.289 0.122 11451 631 1 . 1 1 135 135 LYS N N 135 122.646 122.646 119.226 3.420 11451 632 1 . 1 1 135 135 LYS HA H 135 4.001 4.001 4.146 -0.145 11451 633 1 . 1 1 135 135 LYS CA C 135 58.908 58.908 58.137 0.771 11451 634 1 . 1 1 135 135 LYS CB C 135 32.010 32.010 32.149 -0.140 11451 635 1 . 1 1 135 135 LYS H H 135 7.418 7.418 7.249 0.169 11451 636 1 . 1 1 136 136 ILE N N 136 121.613 121.613 118.214 3.399 11451 637 1 . 1 1 136 136 ILE HA H 136 3.062 3.062 3.477 -0.415 11451 638 1 . 1 1 136 136 ILE CA C 136 65.307 65.307 64.798 0.509 11451 639 1 . 1 1 136 136 ILE CB C 136 37.299 37.299 37.803 -0.504 11451 640 1 . 1 1 136 136 ILE H H 136 8.075 8.075 8.285 -0.210 11451 641 1 . 1 1 137 137 LYS N N 137 113.499 113.499 115.763 -2.264 11451 642 1 . 1 1 137 137 LYS HA H 137 3.744 3.744 4.199 -0.455 11451 643 1 . 1 1 137 137 LYS CA C 137 57.888 57.888 57.427 0.461 11451 644 1 . 1 1 137 137 LYS CB C 137 31.355 31.355 32.351 -0.996 11451 645 1 . 1 1 137 137 LYS H H 137 7.976 7.976 7.521 0.455 11451 646 1 . 1 1 138 138 GLY N N 138 104.829 104.829 107.056 -2.227 11451 647 1 . 1 1 138 138 GLY CA C 138 44.181 44.181 45.161 -0.980 11451 648 1 . 1 1 138 138 GLY H H 138 6.858 6.858 7.579 -0.721 11451 649 1 . 1 1 139 139 VAL N N 139 116.189 116.189 118.050 -1.861 11451 650 1 . 1 1 139 139 VAL HA H 139 4.083 4.083 3.896 0.187 11451 651 1 . 1 1 139 139 VAL CA C 139 61.744 61.744 64.084 -2.340 11451 652 1 . 1 1 139 139 VAL CB C 139 32.850 32.850 31.866 0.984 11451 653 1 . 1 1 139 139 VAL H H 139 7.220 7.220 7.666 -0.446 11451 654 1 . 1 1 140 140 ALA N N 140 123.097 123.097 120.076 3.021 11451 655 1 . 1 1 140 140 ALA HA H 140 4.282 4.282 4.494 -0.212 11451 656 1 . 1 1 140 140 ALA CA C 140 52.850 52.850 52.175 0.675 11451 657 1 . 1 1 140 140 ALA CB C 140 18.372 18.372 19.992 -1.620 11451 658 1 . 1 1 140 140 ALA H H 140 8.262 8.262 7.838 0.424 11451 659 1 . 1 1 141 141 THR N N 141 113.326 113.326 112.843 0.483 11451 660 1 . 1 1 141 141 THR HA H 141 4.925 4.925 4.807 0.118 11451 661 1 . 1 1 141 141 THR CA C 141 59.382 59.382 60.335 -0.953 11451 662 1 . 1 1 141 141 THR CB C 141 73.286 73.286 71.358 1.928 11451 663 1 . 1 1 141 141 THR H H 141 8.278 8.278 8.094 0.184 11451 664 1 . 1 1 142 142 GLY N N 142 107.299 107.299 110.006 -2.707 11451 665 1 . 1 1 142 142 GLY CA C 142 45.172 45.172 45.587 -0.415 11451 666 1 . 1 1 142 142 GLY H H 142 8.484 8.484 8.389 0.095 11451 667 1 . 1 1 143 143 ARG N N 143 120.230 120.230 121.655 -1.425 11451 668 1 . 1 1 143 143 ARG HA H 143 4.797 4.797 4.253 0.544 11451 669 1 . 1 1 143 143 ARG CA C 143 55.200 55.200 56.519 -1.319 11451 670 1 . 1 1 143 143 ARG CB C 143 31.351 31.351 30.933 0.419 11451 671 1 . 1 1 143 143 ARG H H 143 8.185 8.185 8.286 -0.101 11451 672 1 . 1 1 144 144 SER N N 144 119.429 119.429 118.934 0.495 11451 673 1 . 1 1 144 144 SER HA H 144 4.466 4.466 4.667 -0.201 11451 674 1 . 1 1 144 144 SER CA C 144 56.856 56.856 57.130 -0.274 11451 675 1 . 1 1 144 144 SER CB C 144 63.174 63.174 65.021 -1.847 11451 676 1 . 1 1 144 144 SER H H 144 8.427 8.427 8.586 -0.159 11451 677 1 . 1 1 145 145 GLY N N 145 117.736 117.736 109.607 8.130 11451 678 1 . 1 1 145 145 GLY CA C 145 46.686 46.686 46.490 0.196 11451 679 1 . 1 1 145 145 GLY H H 145 8.902 8.902 8.873 0.029 11451 680 1 . 1 1 146 146 MET N N 146 125.723 125.723 118.289 7.434 11451 681 1 . 1 1 146 146 MET HA H 146 4.315 4.315 4.411 -0.096 11451 682 1 . 1 1 146 146 MET CA C 146 55.431 55.431 55.888 -0.457 11451 683 1 . 1 1 146 146 MET H H 146 8.827 8.827 7.640 1.187 11451 684 1 . 1 1 147 147 HIS N N 147 121.581 121.581 117.078 4.503 11451 685 1 . 1 1 147 147 HIS HA H 147 4.424 4.424 4.837 -0.413 11451 686 1 . 1 1 147 147 HIS CA C 147 56.075 56.075 55.307 0.768 11451 687 1 . 1 1 147 147 HIS CB C 147 31.593 31.593 32.208 -0.615 11451 688 1 . 1 1 147 147 HIS H H 147 8.010 8.010 7.998 0.012 11451 689 1 . 1 1 148 148 GLN N N 148 121.305 121.305 123.694 -2.389 11451 690 1 . 1 1 148 148 GLN HA H 148 4.470 4.470 4.464 0.006 11451 691 1 . 1 1 148 148 GLN CA C 148 54.464 54.464 55.476 -1.012 11451 692 1 . 1 1 148 148 GLN CB C 148 31.691 31.691 30.490 1.201 11451 693 1 . 1 1 148 148 GLN H H 148 8.681 8.681 8.682 -0.001 11451 694 1 . 1 1 149 149 ASP N N 149 117.085 117.085 117.820 -0.735 11451 695 1 . 1 1 149 149 ASP CB C 149 39.479 39.479 39.546 -0.067 11451 696 1 . 1 1 149 149 ASP H H 149 8.635 8.635 8.785 -0.150 11451 697 1 . 1 1 150 150 VAL N N 150 120.313 120.313 112.128 8.185 11451 698 1 . 1 1 150 150 VAL HA H 150 4.379 4.379 4.735 -0.356 11451 699 1 . 1 1 150 150 VAL CA C 150 59.168 59.168 58.522 0.646 11451 700 1 . 1 1 150 150 VAL CB C 150 33.080 33.080 33.529 -0.449 11451 701 1 . 1 1 150 150 VAL H H 150 8.470 8.470 7.577 0.893 11451 702 1 . 1 1 151 151 PRO HA H 151 4.414 4.414 4.634 -0.220 11451 703 1 . 1 1 151 151 PRO CA C 151 63.936 63.936 62.715 1.220 11451 704 1 . 1 1 151 151 PRO CB C 151 32.176 32.176 32.282 -0.106 11451 705 1 . 1 1 152 152 LYS N N 152 125.675 125.675 121.350 4.325 11451 706 1 . 1 1 152 152 LYS HA H 152 3.871 3.871 4.232 -0.361 11451 707 1 . 1 1 152 152 LYS CA C 152 58.601 58.601 57.172 1.429 11451 708 1 . 1 1 152 152 LYS CB C 152 31.785 31.785 32.748 -0.963 11451 709 1 . 1 1 152 152 LYS H H 152 8.169 8.169 8.351 -0.182 11451 710 1 . 1 1 153 153 GLU N N 153 119.081 119.081 121.102 -2.021 11451 711 1 . 1 1 153 153 GLU HA H 153 4.395 4.395 4.347 0.048 11451 712 1 . 1 1 153 153 GLU CA C 153 54.216 54.216 55.887 -1.671 11451 713 1 . 1 1 153 153 GLU CB C 153 30.738 30.738 30.589 0.149 11451 714 1 . 1 1 153 153 GLU H H 153 7.960 7.960 8.077 -0.117 11451 715 1 . 1 1 154 154 ASP N N 154 121.884 121.884 121.629 0.255 11451 716 1 . 1 1 154 154 ASP HA H 154 4.232 4.232 4.617 -0.385 11451 717 1 . 1 1 154 154 ASP CA C 154 56.100 56.100 53.881 2.219 11451 718 1 . 1 1 154 154 ASP CB C 154 40.540 40.540 41.019 -0.479 11451 719 1 . 1 1 154 154 ASP H H 154 8.149 8.149 8.595 -0.446 11451 720 1 . 1 1 155 155 VAL N N 155 129.777 129.777 125.386 4.391 11451 721 1 . 1 1 155 155 VAL HA H 155 4.439 4.439 4.667 -0.228 11451 722 1 . 1 1 155 155 VAL CA C 155 62.311 62.311 61.617 0.694 11451 723 1 . 1 1 155 155 VAL CB C 155 31.469 31.469 32.105 -0.636 11451 724 1 . 1 1 155 155 VAL H H 155 10.043 10.043 8.672 1.371 11451 725 1 . 1 1 156 156 ILE N N 156 125.807 125.807 124.007 1.800 11451 726 1 . 1 1 156 156 ILE HA H 156 4.412 4.412 5.221 -0.809 11451 727 1 . 1 1 156 156 ILE CA C 156 60.685 60.685 58.712 1.973 11451 728 1 . 1 1 156 156 ILE CB C 156 42.914 42.914 42.545 0.369 11451 729 1 . 1 1 156 156 ILE H H 156 8.252 8.252 9.380 -1.128 11451 730 1 . 1 1 157 157 ILE N N 157 126.581 126.581 125.966 0.615 11451 731 1 . 1 1 157 157 ILE HA H 157 3.679 3.679 4.253 -0.574 11451 732 1 . 1 1 157 157 ILE CA C 157 62.505 62.505 61.921 0.584 11451 733 1 . 1 1 157 157 ILE CB C 157 36.372 36.372 36.629 -0.257 11451 734 1 . 1 1 157 157 ILE H H 157 9.168 9.168 9.079 0.089 11451 735 1 . 1 1 158 158 GLU N N 158 130.185 130.185 128.605 1.580 11451 736 1 . 1 1 158 158 GLU HA H 158 4.040 4.040 4.256 -0.216 11451 737 1 . 1 1 158 158 GLU CA C 158 58.906 58.906 58.626 0.280 11451 738 1 . 1 1 158 158 GLU CB C 158 29.998 29.998 30.727 -0.729 11451 739 1 . 1 1 158 158 GLU H H 158 8.910 8.910 8.760 0.150 11451 740 1 . 1 1 159 159 SER N N 159 108.037 108.037 111.417 -3.380 11451 741 1 . 1 1 159 159 SER HA H 159 4.399 4.399 4.824 -0.425 11451 742 1 . 1 1 159 159 SER CA C 159 57.505 57.505 57.440 0.065 11451 743 1 . 1 1 159 159 SER CB C 159 64.403 64.403 64.970 -0.567 11451 744 1 . 1 1 159 159 SER H H 159 7.772 7.772 8.181 -0.409 11451 745 1 . 1 1 160 160 VAL N N 160 119.790 119.790 121.438 -1.648 11451 746 1 . 1 1 160 160 VAL HA H 160 5.175 5.175 5.357 -0.182 11451 747 1 . 1 1 160 160 VAL CA C 160 60.565 60.565 60.940 -0.375 11451 748 1 . 1 1 160 160 VAL CB C 160 35.015 35.015 35.736 -0.721 11451 749 1 . 1 1 160 160 VAL H H 160 7.681 7.681 8.444 -0.763 11451 750 1 . 1 1 161 161 THR N N 161 122.628 122.628 122.021 0.607 11451 751 1 . 1 1 161 161 THR HA H 161 4.662 4.662 4.741 -0.079 11451 752 1 . 1 1 161 161 THR CA C 161 61.452 61.452 61.081 0.371 11451 753 1 . 1 1 161 161 THR CB C 161 70.781 70.781 71.730 -0.948 11451 754 1 . 1 1 161 161 THR H H 161 8.817 8.817 9.250 -0.433 11451 755 1 . 1 1 162 162 VAL N N 162 129.304 129.304 127.397 1.907 11451 756 1 . 1 1 162 162 VAL HA H 162 4.487 4.487 4.388 0.099 11451 757 1 . 1 1 162 162 VAL CA C 162 61.757 61.757 62.269 -0.512 11451 758 1 . 1 1 162 162 VAL CB C 162 32.482 32.482 32.052 0.430 11451 759 1 . 1 1 162 162 VAL H H 162 9.075 9.075 8.633 0.442 11451 760 1 . 1 1 163 163 SER N N 163 123.979 123.979 123.790 0.189 11451 761 1 . 1 1 163 163 SER HA H 163 4.601 4.601 4.724 -0.123 11451 762 1 . 1 1 163 163 SER CA C 163 57.521 57.521 56.781 0.740 11451 763 1 . 1 1 163 163 SER CB C 163 64.409 64.409 64.703 -0.295 11451 764 1 . 1 1 163 163 SER H H 163 8.727 8.727 8.729 -0.002 11451 stop_ save_