data_19628 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19628 _Entry.PDB_ID 2MHE 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 19628 _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 PRO HA H 2 4.536 4.536 4.517 0.019 19628 2 1 1 . 1 1 2 2 PRO C C 2 176.988 176.988 175.903 1.085 19628 3 1 1 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.741 0.591 19628 4 1 1 . 1 1 2 2 PRO CB C 2 32.241 32.241 30.074 2.167 19628 5 1 1 . 1 1 3 3 ASP N N 3 120.121 120.121 122.543 -2.422 19628 6 1 1 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.561 0.065 19628 7 1 1 . 1 1 3 3 ASP C C 3 176.550 176.550 176.273 0.277 19628 8 1 1 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.672 0.912 19628 9 1 1 . 1 1 3 3 ASP CB C 3 41.274 41.274 41.911 -0.637 19628 10 1 1 . 1 1 4 4 LYS N N 4 120.298 120.298 121.603 -1.305 19628 11 1 1 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.237 0.214 19628 12 1 1 . 1 1 4 4 LYS C C 4 176.439 176.439 176.545 -0.106 19628 13 1 1 . 1 1 4 4 LYS CA C 4 55.908 55.908 56.404 -0.496 19628 14 1 1 . 1 1 4 4 LYS CB C 4 33.819 33.819 31.410 2.409 19628 15 1 1 . 1 1 5 5 GLN N N 5 122.085 122.085 123.319 -1.234 19628 16 1 1 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.327 0.136 19628 17 1 1 . 1 1 5 5 GLN C C 5 175.305 175.305 175.649 -0.344 19628 18 1 1 . 1 1 5 5 GLN CA C 5 56.317 56.317 55.666 0.651 19628 19 1 1 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.739 1.728 19628 20 1 1 . 1 1 6 6 LEU N N 6 127.607 127.607 121.697 5.910 19628 21 1 1 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.271 0.502 19628 22 1 1 . 1 1 6 6 LEU C C 6 176.477 176.477 176.358 0.119 19628 23 1 1 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.062 -0.993 19628 24 1 1 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.852 -0.312 19628 25 1 1 . 1 1 7 7 LEU N N 7 124.306 124.306 123.562 0.744 19628 26 1 1 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.917 -0.330 19628 27 1 1 . 1 1 7 7 LEU C C 7 176.499 176.499 175.949 0.550 19628 28 1 1 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.249 3.813 19628 29 1 1 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.107 -0.541 19628 30 1 1 . 1 1 8 8 HIS N N 8 124.882 124.882 119.322 5.560 19628 31 1 1 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.016 0.775 19628 32 1 1 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.293 0.008 19628 33 1 1 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.173 4.366 19628 34 1 1 . 1 1 9 9 ILE N N 9 119.723 119.723 120.946 -1.223 19628 35 1 1 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.494 1.065 19628 36 1 1 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.454 -2.444 19628 37 1 1 . 1 1 9 9 ILE CB C 9 42.600 42.600 39.001 3.599 19628 38 1 1 . 1 1 10 10 VAL N N 10 124.236 124.236 118.635 5.601 19628 39 1 1 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.935 0.646 19628 40 1 1 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.584 0.710 19628 41 1 1 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.601 1.557 19628 42 1 1 . 1 1 11 11 VAL N N 11 119.677 119.677 119.751 -0.074 19628 43 1 1 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.982 0.761 19628 44 1 1 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.618 -1.528 19628 45 1 1 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.499 1.092 19628 46 1 1 . 1 1 12 12 GLY N N 12 107.410 107.410 106.998 0.412 19628 47 1 1 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.271 2.296 19628 48 1 1 . 1 1 13 13 GLY N N 13 103.550 103.550 105.041 -1.491 19628 49 1 1 . 1 1 13 13 GLY C C 13 172.290 172.290 172.218 0.072 19628 50 1 1 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.958 0.063 19628 51 1 1 . 1 1 14 14 GLU N N 14 118.735 118.735 119.913 -1.178 19628 52 1 1 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.541 0.066 19628 53 1 1 . 1 1 14 14 GLU C C 14 177.819 177.819 176.374 1.445 19628 54 1 1 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.256 0.232 19628 55 1 1 . 1 1 14 14 GLU CB C 14 31.001 31.001 31.056 -0.055 19628 56 1 1 . 1 1 15 15 LEU N N 15 125.767 125.767 121.823 3.944 19628 57 1 1 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.923 -0.051 19628 58 1 1 . 1 1 15 15 LEU C C 15 178.742 178.742 177.932 0.810 19628 59 1 1 . 1 1 15 15 LEU CA C 15 54.321 54.321 52.579 1.742 19628 60 1 1 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.545 -0.565 19628 61 1 1 . 1 1 16 16 LYS N N 16 120.328 120.328 119.527 0.801 19628 62 1 1 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.404 -0.247 19628 63 1 1 . 1 1 16 16 LYS CA C 16 57.359 57.359 57.352 0.007 19628 64 1 1 . 1 1 16 16 LYS CB C 16 34.874 34.874 32.957 1.917 19628 65 1 1 . 1 1 17 17 ASP N N 17 121.541 121.541 116.815 4.726 19628 66 1 1 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.504 0.360 19628 67 1 1 . 1 1 17 17 ASP CA C 17 53.484 53.484 51.970 1.514 19628 68 1 1 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.835 -2.927 19628 69 1 1 . 1 1 18 18 VAL N N 18 117.413 117.413 115.759 1.654 19628 70 1 1 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.863 0.470 19628 71 1 1 . 1 1 18 18 VAL C C 18 175.600 175.600 175.963 -0.363 19628 72 1 1 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.400 -3.311 19628 73 1 1 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.897 2.357 19628 74 1 1 . 1 1 19 19 ALA N N 19 122.852 122.852 120.379 2.473 19628 75 1 1 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.627 -0.234 19628 76 1 1 . 1 1 19 19 ALA C C 19 178.737 178.737 177.999 0.738 19628 77 1 1 . 1 1 19 19 ALA CA C 19 52.941 52.941 51.714 1.227 19628 78 1 1 . 1 1 19 19 ALA CB C 19 18.997 18.997 20.364 -1.367 19628 79 1 1 . 1 1 20 20 GLY N N 20 107.686 107.686 108.158 -0.472 19628 80 1 1 . 1 1 20 20 GLY C C 20 173.316 173.316 173.954 -0.638 19628 81 1 1 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.595 0.016 19628 82 1 1 . 1 1 21 21 VAL N N 21 117.897 117.897 120.915 -3.018 19628 83 1 1 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.933 0.017 19628 84 1 1 . 1 1 21 21 VAL C C 21 174.804 174.804 175.401 -0.597 19628 85 1 1 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.711 0.316 19628 86 1 1 . 1 1 21 21 VAL CB C 21 32.034 32.034 31.652 0.382 19628 87 1 1 . 1 1 22 22 GLU N N 22 124.637 124.637 122.063 2.574 19628 88 1 1 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.222 0.098 19628 89 1 1 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.753 0.152 19628 90 1 1 . 1 1 22 22 GLU CB C 22 32.883 32.883 27.769 5.114 19628 91 1 1 . 1 1 23 23 PHE N N 23 124.102 124.102 124.582 -0.480 19628 92 1 1 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.441 0.254 19628 93 1 1 . 1 1 23 23 PHE C C 23 177.013 177.013 177.053 -0.040 19628 94 1 1 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.898 0.121 19628 95 1 1 . 1 1 23 23 PHE CB C 23 38.771 38.771 37.975 0.796 19628 96 1 1 . 1 1 24 24 ARG N N 24 121.555 121.555 124.428 -2.873 19628 97 1 1 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.066 -0.198 19628 98 1 1 . 1 1 24 24 ARG C C 24 176.567 176.567 176.432 0.135 19628 99 1 1 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.411 0.891 19628 100 1 1 . 1 1 24 24 ARG CB C 24 30.855 30.855 31.012 -0.157 19628 101 1 1 . 1 1 25 25 ASP N N 25 116.629 116.629 114.477 2.152 19628 102 1 1 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.793 -0.002 19628 103 1 1 . 1 1 25 25 ASP C C 25 177.266 177.266 175.274 1.992 19628 104 1 1 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.657 -0.849 19628 105 1 1 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.686 -0.724 19628 106 1 1 . 1 1 26 26 LEU N N 26 125.814 125.814 122.802 3.012 19628 107 1 1 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.349 -0.393 19628 108 1 1 . 1 1 26 26 LEU C C 26 178.850 178.850 177.922 0.928 19628 109 1 1 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.106 1.248 19628 110 1 1 . 1 1 26 26 LEU CB C 26 40.910 40.910 42.353 -1.443 19628 111 1 1 . 1 1 27 27 SER N N 27 113.793 113.793 113.909 -0.116 19628 112 1 1 . 1 1 27 27 SER HA H 27 4.454 4.454 4.380 0.074 19628 113 1 1 . 1 1 27 27 SER C C 27 175.696 175.696 175.475 0.221 19628 114 1 1 . 1 1 27 27 SER CA C 27 60.804 60.804 59.669 1.135 19628 115 1 1 . 1 1 27 27 SER CB C 27 63.311 63.311 63.087 0.224 19628 116 1 1 . 1 1 28 28 LYS N N 28 120.122 120.122 119.783 0.339 19628 117 1 1 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.373 0.248 19628 118 1 1 . 1 1 28 28 LYS C C 28 177.281 177.281 176.228 1.053 19628 119 1 1 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.335 -0.672 19628 120 1 1 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.977 0.099 19628 121 1 1 . 1 1 29 29 VAL N N 29 120.916 120.916 121.201 -0.285 19628 122 1 1 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.803 0.070 19628 123 1 1 . 1 1 29 29 VAL CA C 29 63.625 63.625 62.046 1.579 19628 124 1 1 . 1 1 29 29 VAL CB C 29 32.440 32.440 29.922 2.518 19628 125 1 1 . 1 1 30 30 GLU N N 30 127.248 127.248 128.174 -0.926 19628 126 1 1 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.185 0.209 19628 127 1 1 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.822 -1.395 19628 128 1 1 . 1 1 30 30 GLU CB C 30 32.178 32.178 29.916 2.262 19628 129 1 1 . 1 1 31 31 PHE N N 31 126.351 126.351 126.096 0.255 19628 130 1 1 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.465 0.011 19628 131 1 1 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.898 -2.465 19628 132 1 1 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.078 -2.443 19628 133 1 1 . 1 1 32 32 VAL N N 32 128.354 128.354 123.448 4.906 19628 134 1 1 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.868 -0.001 19628 135 1 1 . 1 1 32 32 VAL CA C 32 64.020 64.020 64.148 -0.128 19628 136 1 1 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.276 -0.202 19628 137 1 1 . 1 1 33 33 GLY N N 33 107.690 107.690 105.726 1.964 19628 138 1 1 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.755 1.011 19628 139 1 1 . 1 1 34 34 ALA N N 34 120.706 120.706 123.146 -2.440 19628 140 1 1 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.872 0.282 19628 141 1 1 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.299 -2.480 19628 142 1 1 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.045 0.817 19628 143 1 1 . 1 1 35 35 TYR N N 35 115.457 115.457 123.515 -8.058 19628 144 1 1 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.780 0.163 19628 145 1 1 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.213 1.114 19628 146 1 1 . 1 1 35 35 TYR CB C 35 42.558 42.558 39.290 3.268 19628 147 1 1 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.416 0.244 19628 148 1 1 . 1 1 36 36 PRO C C 36 174.733 174.733 176.179 -1.446 19628 149 1 1 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.798 0.141 19628 150 1 1 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.461 -0.094 19628 151 1 1 . 1 1 37 37 SER N N 37 109.883 109.883 111.806 -1.923 19628 152 1 1 . 1 1 37 37 SER HA H 37 4.819 4.819 4.621 0.198 19628 153 1 1 . 1 1 37 37 SER C C 37 173.943 173.943 174.796 -0.853 19628 154 1 1 . 1 1 37 37 SER CA C 37 56.502 56.502 56.218 0.284 19628 155 1 1 . 1 1 37 37 SER CB C 37 66.351 66.351 64.929 1.422 19628 156 1 1 . 1 1 38 38 TYR N N 38 122.819 122.819 126.366 -3.547 19628 157 1 1 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.320 -1.269 19628 158 1 1 . 1 1 38 38 TYR C C 38 177.295 177.295 176.587 0.708 19628 159 1 1 . 1 1 38 38 TYR CA C 38 62.073 62.073 60.720 1.353 19628 160 1 1 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.627 -0.963 19628 161 1 1 . 1 1 39 39 ASP N N 39 116.964 116.964 118.908 -1.944 19628 162 1 1 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.210 0.011 19628 163 1 1 . 1 1 39 39 ASP C C 39 179.740 179.740 178.335 1.405 19628 164 1 1 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.399 0.355 19628 165 1 1 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.670 0.225 19628 166 1 1 . 1 1 40 40 GLU N N 40 116.783 116.783 118.621 -1.838 19628 167 1 1 . 1 1 40 40 GLU HA H 40 3.969 3.969 4.155 -0.186 19628 168 1 1 . 1 1 40 40 GLU C C 40 178.947 178.947 178.491 0.456 19628 169 1 1 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.943 0.269 19628 170 1 1 . 1 1 40 40 GLU CB C 40 30.282 30.282 29.237 1.045 19628 171 1 1 . 1 1 41 41 ALA N N 41 122.522 122.522 121.973 0.549 19628 172 1 1 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.915 -0.875 19628 173 1 1 . 1 1 41 41 ALA C C 41 178.474 178.474 179.249 -0.775 19628 174 1 1 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.847 -0.732 19628 175 1 1 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.297 0.251 19628 176 1 1 . 1 1 42 42 HIS N N 42 118.486 118.486 117.244 1.242 19628 177 1 1 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.195 -0.345 19628 178 1 1 . 1 1 42 42 HIS C C 42 177.400 177.400 177.063 0.337 19628 179 1 1 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.589 1.598 19628 180 1 1 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.775 0.224 19628 181 1 1 . 1 1 43 43 LYS N N 43 118.483 118.483 119.062 -0.579 19628 182 1 1 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.062 -0.207 19628 183 1 1 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.601 2.483 19628 184 1 1 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.116 0.580 19628 185 1 1 . 1 1 44 44 ALA N N 44 121.891 121.891 122.286 -0.395 19628 186 1 1 . 1 1 44 44 ALA HA H 44 3.967 3.967 3.896 0.071 19628 187 1 1 . 1 1 44 44 ALA C C 44 180.412 180.412 178.702 1.710 19628 188 1 1 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.773 -0.068 19628 189 1 1 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.482 1.577 19628 190 1 1 . 1 1 45 45 TRP N N 45 119.065 119.065 120.076 -1.011 19628 191 1 1 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.386 -0.952 19628 192 1 1 . 1 1 45 45 TRP C C 45 176.748 176.748 177.822 -1.074 19628 193 1 1 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.171 1.369 19628 194 1 1 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.183 -0.041 19628 195 1 1 . 1 1 46 46 LYS N N 46 119.011 119.011 118.662 0.349 19628 196 1 1 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.233 -0.290 19628 197 1 1 . 1 1 46 46 LYS C C 46 178.523 178.523 178.209 0.314 19628 198 1 1 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.023 1.264 19628 199 1 1 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.429 1.108 19628 200 1 1 . 1 1 47 47 ALA N N 47 118.189 118.189 122.381 -4.192 19628 201 1 1 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.990 -0.030 19628 202 1 1 . 1 1 47 47 ALA C C 47 180.604 180.604 179.837 0.767 19628 203 1 1 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.017 -0.814 19628 204 1 1 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.143 0.024 19628 205 1 1 . 1 1 48 48 LYS N N 48 116.778 116.778 117.717 -0.939 19628 206 1 1 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.948 -0.188 19628 207 1 1 . 1 1 48 48 LYS C C 48 178.378 178.378 178.498 -0.120 19628 208 1 1 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.832 -1.895 19628 209 1 1 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.154 -1.746 19628 210 1 1 . 1 1 49 49 ALA N N 49 121.343 121.343 122.100 -0.757 19628 211 1 1 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.052 -0.292 19628 212 1 1 . 1 1 49 49 ALA C C 49 180.075 180.075 180.132 -0.057 19628 213 1 1 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.533 -0.456 19628 214 1 1 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.230 -0.608 19628 215 1 1 . 1 1 50 50 GLN N N 50 114.507 114.507 116.619 -2.112 19628 216 1 1 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.040 0.079 19628 217 1 1 . 1 1 50 50 GLN C C 50 176.838 176.838 177.837 -0.999 19628 218 1 1 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.717 -1.074 19628 219 1 1 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.727 0.083 19628 220 1 1 . 1 1 51 51 ALA N N 51 121.078 121.078 121.072 0.006 19628 221 1 1 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.263 0.115 19628 222 1 1 . 1 1 51 51 ALA C C 51 178.394 178.394 178.126 0.268 19628 223 1 1 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.675 -0.852 19628 224 1 1 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.997 0.358 19628 225 1 1 . 1 1 52 52 THR N N 52 111.735 111.735 109.525 2.210 19628 226 1 1 . 1 1 52 52 THR HA H 52 4.443 4.443 4.565 -0.122 19628 227 1 1 . 1 1 52 52 THR C C 52 175.345 175.345 174.082 1.263 19628 228 1 1 . 1 1 52 52 THR CA C 52 61.884 61.884 59.694 2.190 19628 229 1 1 . 1 1 52 52 THR CB C 52 69.455 69.455 69.027 0.428 19628 230 1 1 . 1 1 53 53 VAL N N 53 120.702 120.702 121.031 -0.329 19628 231 1 1 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.799 0.336 19628 232 1 1 . 1 1 53 53 VAL C C 53 176.425 176.425 176.909 -0.484 19628 233 1 1 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.059 -1.054 19628 234 1 1 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.826 0.897 19628 235 1 1 . 1 1 54 54 ASP N N 54 120.122 120.122 118.463 1.659 19628 236 1 1 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.465 0.141 19628 237 1 1 . 1 1 54 54 ASP C C 54 176.471 176.471 175.978 0.493 19628 238 1 1 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.725 -0.985 19628 239 1 1 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.565 0.593 19628 240 1 1 . 1 1 55 55 ASN N N 55 117.542 117.542 118.797 -1.255 19628 241 1 1 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.712 0.055 19628 242 1 1 . 1 1 55 55 ASN C C 55 175.457 175.457 176.029 -0.572 19628 243 1 1 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.255 -0.173 19628 244 1 1 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.301 -0.601 19628 245 1 1 . 1 1 56 56 ALA N N 56 122.962 122.962 127.534 -4.572 19628 246 1 1 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.028 0.279 19628 247 1 1 . 1 1 56 56 ALA C C 56 178.144 178.144 177.979 0.165 19628 248 1 1 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.327 -1.138 19628 249 1 1 . 1 1 56 56 ALA CB C 56 19.270 19.270 18.961 0.309 19628 250 1 1 . 1 1 57 57 HIS N N 57 114.258 114.258 114.098 0.160 19628 251 1 1 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.714 0.004 19628 252 1 1 . 1 1 57 57 HIS C C 57 174.283 174.283 173.735 0.548 19628 253 1 1 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.182 1.356 19628 254 1 1 . 1 1 57 57 HIS CB C 57 29.348 29.348 31.070 -1.722 19628 255 1 1 . 1 1 58 58 ALA N N 58 122.364 122.364 124.015 -1.651 19628 256 1 1 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.379 -0.078 19628 257 1 1 . 1 1 58 58 ALA C C 58 176.549 176.549 176.307 0.242 19628 258 1 1 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.940 0.309 19628 259 1 1 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.520 1.378 19628 260 1 1 . 1 1 59 59 ARG N N 59 120.664 120.664 123.246 -2.582 19628 261 1 1 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.561 0.016 19628 262 1 1 . 1 1 59 59 ARG C C 59 174.047 174.047 174.745 -0.698 19628 263 1 1 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.013 -0.054 19628 264 1 1 . 1 1 59 59 ARG CB C 59 34.241 34.241 32.288 1.953 19628 265 1 1 . 1 1 60 60 TYR N N 60 117.222 117.222 123.651 -6.429 19628 266 1 1 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.644 0.759 19628 267 1 1 . 1 1 60 60 TYR C C 60 176.206 176.206 174.684 1.522 19628 268 1 1 . 1 1 60 60 TYR CA C 60 57.256 57.256 57.573 -0.317 19628 269 1 1 . 1 1 60 60 TYR CB C 60 42.214 42.214 37.755 4.459 19628 270 1 1 . 1 1 61 61 PHE N N 61 117.727 117.727 121.809 -4.082 19628 271 1 1 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.141 0.153 19628 272 1 1 . 1 1 61 61 PHE C C 61 174.358 174.358 175.528 -1.170 19628 273 1 1 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.573 0.550 19628 274 1 1 . 1 1 61 61 PHE CB C 61 45.819 45.819 41.710 4.109 19628 275 1 1 . 1 1 62 62 ILE N N 62 118.711 118.711 118.289 0.422 19628 276 1 1 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.917 0.197 19628 277 1 1 . 1 1 62 62 ILE C C 62 174.937 174.937 175.290 -0.353 19628 278 1 1 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.041 0.584 19628 279 1 1 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.741 -0.567 19628 280 1 1 . 1 1 63 63 ILE N N 63 125.236 125.236 121.436 3.800 19628 281 1 1 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.565 0.167 19628 282 1 1 . 1 1 63 63 ILE C C 63 176.218 176.218 174.168 2.050 19628 283 1 1 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.731 0.090 19628 284 1 1 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.824 -0.283 19628 285 1 1 . 1 1 64 64 HIS N N 64 127.707 127.707 119.750 7.957 19628 286 1 1 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.264 0.289 19628 287 1 1 . 1 1 64 64 HIS C C 64 174.365 174.365 174.615 -0.250 19628 288 1 1 . 1 1 64 64 HIS CA C 64 53.539 53.539 54.325 -0.786 19628 289 1 1 . 1 1 64 64 HIS CB C 64 30.765 30.765 29.241 1.524 19628 290 1 1 . 1 1 65 65 ALA N N 65 131.873 131.873 128.135 3.738 19628 291 1 1 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.402 0.153 19628 292 1 1 . 1 1 65 65 ALA C C 65 174.433 174.433 176.446 -2.013 19628 293 1 1 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.653 -1.279 19628 294 1 1 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.120 -0.353 19628 295 1 1 . 1 1 66 66 HIS N N 66 120.753 120.753 118.319 2.434 19628 296 1 1 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.320 -0.149 19628 297 1 1 . 1 1 66 66 HIS C C 66 175.249 175.249 175.211 0.038 19628 298 1 1 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.587 -1.088 19628 299 1 1 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.008 0.562 19628 300 1 1 . 1 1 67 67 LYS N N 67 117.601 117.601 119.318 -1.717 19628 301 1 1 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.453 -0.026 19628 302 1 1 . 1 1 67 67 LYS C C 67 174.799 174.799 175.381 -0.582 19628 303 1 1 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.537 -0.469 19628 304 1 1 . 1 1 67 67 LYS CB C 67 34.784 34.784 33.258 1.526 19628 305 1 1 . 1 1 68 68 LEU N N 68 127.238 127.238 124.767 2.471 19628 306 1 1 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.442 0.005 19628 307 1 1 . 1 1 68 68 LEU C C 68 175.878 175.878 177.101 -1.223 19628 308 1 1 . 1 1 68 68 LEU CA C 68 54.463 54.463 54.141 0.323 19628 309 1 1 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.955 -1.383 19628 310 1 1 . 1 1 69 69 LEU N N 69 123.968 123.968 123.487 0.481 19628 311 1 1 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.289 0.226 19628 312 1 1 . 1 1 69 69 LEU C C 69 176.630 176.630 176.291 0.339 19628 313 1 1 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.873 0.331 19628 314 1 1 . 1 1 69 69 LEU CB C 69 42.232 42.232 40.769 1.463 19628 315 1 1 . 1 1 70 70 ASP N N 70 122.630 122.630 124.592 -1.962 19628 316 1 1 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.862 0.375 19628 317 1 1 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.440 -1.450 19628 318 1 1 . 1 1 70 70 ASP CB C 70 42.502 42.502 41.458 1.044 19628 319 1 1 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.687 -0.380 19628 320 1 1 . 1 1 71 71 PRO C C 71 177.095 177.095 176.982 0.113 19628 321 1 1 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.437 -0.885 19628 322 1 1 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.129 -1.168 19628 323 1 1 . 1 1 72 72 SER N N 72 114.226 114.226 114.346 -0.120 19628 324 1 1 . 1 1 72 72 SER HA H 72 4.455 4.455 4.317 0.138 19628 325 1 1 . 1 1 72 72 SER C C 72 175.162 175.162 175.687 -0.525 19628 326 1 1 . 1 1 72 72 SER CA C 72 60.232 60.232 60.462 -0.230 19628 327 1 1 . 1 1 72 72 SER CB C 72 63.899 63.899 63.733 0.166 19628 328 1 1 . 1 1 73 73 GLU N N 73 121.971 121.971 119.133 2.838 19628 329 1 1 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.443 -0.035 19628 330 1 1 . 1 1 73 73 GLU C C 73 176.312 176.312 176.902 -0.590 19628 331 1 1 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.507 0.106 19628 332 1 1 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.785 0.094 19628 333 1 2 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.647 -0.111 19628 334 1 2 . 1 1 2 2 PRO C C 2 176.988 176.988 175.403 1.585 19628 335 1 2 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.878 0.454 19628 336 1 2 . 1 1 2 2 PRO CB C 2 32.241 32.241 30.112 2.129 19628 337 1 2 . 1 1 3 3 ASP N N 3 120.121 120.121 121.892 -1.771 19628 338 1 2 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.765 -0.139 19628 339 1 2 . 1 1 3 3 ASP C C 3 176.550 176.550 175.495 1.055 19628 340 1 2 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.657 0.927 19628 341 1 2 . 1 1 3 3 ASP CB C 3 41.274 41.274 42.926 -1.652 19628 342 1 2 . 1 1 4 4 LYS N N 4 120.298 120.298 123.344 -3.046 19628 343 1 2 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.477 -0.026 19628 344 1 2 . 1 1 4 4 LYS C C 4 176.439 176.439 176.317 0.122 19628 345 1 2 . 1 1 4 4 LYS CA C 4 55.908 55.908 56.265 -0.357 19628 346 1 2 . 1 1 4 4 LYS CB C 4 33.819 33.819 32.799 1.020 19628 347 1 2 . 1 1 5 5 GLN N N 5 122.085 122.085 119.819 2.266 19628 348 1 2 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.472 -0.009 19628 349 1 2 . 1 1 5 5 GLN C C 5 175.305 175.305 174.649 0.656 19628 350 1 2 . 1 1 5 5 GLN CA C 5 56.317 56.317 55.599 0.718 19628 351 1 2 . 1 1 5 5 GLN CB C 5 30.468 30.468 30.189 0.280 19628 352 1 2 . 1 1 6 6 LEU N N 6 127.607 127.607 121.823 5.784 19628 353 1 2 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.618 0.155 19628 354 1 2 . 1 1 6 6 LEU C C 6 176.477 176.477 174.718 1.759 19628 355 1 2 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.452 -1.383 19628 356 1 2 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.886 -0.346 19628 357 1 2 . 1 1 7 7 LEU N N 7 124.306 124.306 120.621 3.685 19628 358 1 2 . 1 1 7 7 LEU HA H 7 4.587 4.587 5.003 -0.416 19628 359 1 2 . 1 1 7 7 LEU C C 7 176.499 176.499 174.710 1.789 19628 360 1 2 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.677 3.385 19628 361 1 2 . 1 1 7 7 LEU CB C 7 42.566 42.566 42.931 -0.365 19628 362 1 2 . 1 1 8 8 HIS N N 8 124.882 124.882 119.138 5.744 19628 363 1 2 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.119 0.672 19628 364 1 2 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.054 0.247 19628 365 1 2 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.415 4.125 19628 366 1 2 . 1 1 9 9 ILE N N 9 119.723 119.723 120.278 -0.555 19628 367 1 2 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.316 1.243 19628 368 1 2 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.303 -2.293 19628 369 1 2 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.969 3.631 19628 370 1 2 . 1 1 10 10 VAL N N 10 124.236 124.236 118.329 5.907 19628 371 1 2 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.893 0.688 19628 372 1 2 . 1 1 10 10 VAL CA C 10 61.294 61.294 61.044 0.251 19628 373 1 2 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.557 1.601 19628 374 1 2 . 1 1 11 11 VAL N N 11 119.677 119.677 120.056 -0.379 19628 375 1 2 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.826 0.917 19628 376 1 2 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.830 -1.740 19628 377 1 2 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.197 1.394 19628 378 1 2 . 1 1 12 12 GLY N N 12 107.410 107.410 110.626 -3.216 19628 379 1 2 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.578 1.989 19628 380 1 2 . 1 1 13 13 GLY N N 13 103.550 103.550 105.513 -1.963 19628 381 1 2 . 1 1 13 13 GLY C C 13 172.290 172.290 172.346 -0.056 19628 382 1 2 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.936 0.085 19628 383 1 2 . 1 1 14 14 GLU N N 14 118.735 118.735 120.604 -1.869 19628 384 1 2 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.555 0.052 19628 385 1 2 . 1 1 14 14 GLU C C 14 177.819 177.819 176.622 1.197 19628 386 1 2 . 1 1 14 14 GLU CA C 14 56.488 56.488 55.908 0.580 19628 387 1 2 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.542 0.459 19628 388 1 2 . 1 1 15 15 LEU N N 15 125.767 125.767 125.862 -0.095 19628 389 1 2 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.659 0.213 19628 390 1 2 . 1 1 15 15 LEU C C 15 178.742 178.742 177.522 1.220 19628 391 1 2 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.781 0.540 19628 392 1 2 . 1 1 15 15 LEU CB C 15 42.981 42.981 42.030 0.951 19628 393 1 2 . 1 1 16 16 LYS N N 16 120.328 120.328 119.186 1.142 19628 394 1 2 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.019 0.138 19628 395 1 2 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.986 -1.627 19628 396 1 2 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.234 1.640 19628 397 1 2 . 1 1 17 17 ASP N N 17 121.541 121.541 116.998 4.543 19628 398 1 2 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.848 0.016 19628 399 1 2 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.853 0.631 19628 400 1 2 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.041 -2.133 19628 401 1 2 . 1 1 18 18 VAL N N 18 117.413 117.413 119.139 -1.726 19628 402 1 2 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.998 0.335 19628 403 1 2 . 1 1 18 18 VAL C C 18 175.600 175.600 176.824 -1.224 19628 404 1 2 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.807 -3.718 19628 405 1 2 . 1 1 18 18 VAL CB C 18 34.254 34.254 32.147 2.107 19628 406 1 2 . 1 1 19 19 ALA N N 19 122.852 122.852 122.775 0.077 19628 407 1 2 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.459 -0.066 19628 408 1 2 . 1 1 19 19 ALA C C 19 178.737 178.737 178.110 0.627 19628 409 1 2 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.234 0.707 19628 410 1 2 . 1 1 19 19 ALA CB C 19 18.997 18.997 18.988 0.009 19628 411 1 2 . 1 1 20 20 GLY N N 20 107.686 107.686 107.058 0.628 19628 412 1 2 . 1 1 20 20 GLY C C 20 173.316 173.316 173.452 -0.136 19628 413 1 2 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.937 -0.326 19628 414 1 2 . 1 1 21 21 VAL N N 21 117.897 117.897 118.875 -0.978 19628 415 1 2 . 1 1 21 21 VAL HA H 21 3.950 3.950 4.224 -0.274 19628 416 1 2 . 1 1 21 21 VAL C C 21 174.804 174.804 174.762 0.042 19628 417 1 2 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.083 0.944 19628 418 1 2 . 1 1 21 21 VAL CB C 21 32.034 32.034 32.675 -0.641 19628 419 1 2 . 1 1 22 22 GLU N N 22 124.637 124.637 120.721 3.916 19628 420 1 2 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.289 0.031 19628 421 1 2 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.416 0.489 19628 422 1 2 . 1 1 22 22 GLU CB C 22 32.883 32.883 29.539 3.344 19628 423 1 2 . 1 1 23 23 PHE N N 23 124.102 124.102 125.359 -1.257 19628 424 1 2 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.494 0.201 19628 425 1 2 . 1 1 23 23 PHE C C 23 177.013 177.013 176.651 0.362 19628 426 1 2 . 1 1 23 23 PHE CA C 23 59.019 59.019 59.074 -0.055 19628 427 1 2 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.773 -0.002 19628 428 1 2 . 1 1 24 24 ARG N N 24 121.555 121.555 124.819 -3.264 19628 429 1 2 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.039 -0.171 19628 430 1 2 . 1 1 24 24 ARG C C 24 176.567 176.567 176.140 0.427 19628 431 1 2 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.712 0.590 19628 432 1 2 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.944 -0.089 19628 433 1 2 . 1 1 25 25 ASP N N 25 116.629 116.629 116.700 -0.071 19628 434 1 2 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.909 -0.118 19628 435 1 2 . 1 1 25 25 ASP C C 25 177.266 177.266 176.911 0.355 19628 436 1 2 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.249 -0.442 19628 437 1 2 . 1 1 25 25 ASP CB C 25 41.962 41.962 43.856 -1.894 19628 438 1 2 . 1 1 26 26 LEU N N 26 125.814 125.814 122.539 3.275 19628 439 1 2 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.300 -0.344 19628 440 1 2 . 1 1 26 26 LEU C C 26 178.850 178.850 177.720 1.130 19628 441 1 2 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.344 1.010 19628 442 1 2 . 1 1 26 26 LEU CB C 26 40.910 40.910 42.215 -1.304 19628 443 1 2 . 1 1 27 27 SER N N 27 113.793 113.793 114.125 -0.332 19628 444 1 2 . 1 1 27 27 SER HA H 27 4.454 4.454 4.517 -0.063 19628 445 1 2 . 1 1 27 27 SER C C 27 175.696 175.696 174.503 1.193 19628 446 1 2 . 1 1 27 27 SER CA C 27 60.804 60.804 59.538 1.266 19628 447 1 2 . 1 1 27 27 SER CB C 27 63.311 63.311 63.121 0.190 19628 448 1 2 . 1 1 28 28 LYS N N 28 120.122 120.122 119.725 0.397 19628 449 1 2 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.598 0.023 19628 450 1 2 . 1 1 28 28 LYS C C 28 177.281 177.281 174.458 2.823 19628 451 1 2 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.176 -0.513 19628 452 1 2 . 1 1 28 28 LYS CB C 28 33.076 33.076 34.303 -1.226 19628 453 1 2 . 1 1 29 29 VAL N N 29 120.916 120.916 116.842 4.074 19628 454 1 2 . 1 1 29 29 VAL HA H 29 3.873 3.873 4.102 -0.229 19628 455 1 2 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.225 3.400 19628 456 1 2 . 1 1 29 29 VAL CB C 29 32.440 32.440 31.673 0.767 19628 457 1 2 . 1 1 30 30 GLU N N 30 127.248 127.248 127.477 -0.229 19628 458 1 2 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.572 -0.178 19628 459 1 2 . 1 1 30 30 GLU CA C 30 54.427 54.427 54.269 0.158 19628 460 1 2 . 1 1 30 30 GLU CB C 30 32.178 32.178 31.537 0.641 19628 461 1 2 . 1 1 31 31 PHE N N 31 126.351 126.351 125.883 0.468 19628 462 1 2 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.554 -0.078 19628 463 1 2 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.864 -2.431 19628 464 1 2 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.054 -2.419 19628 465 1 2 . 1 1 32 32 VAL N N 32 128.354 128.354 122.881 5.473 19628 466 1 2 . 1 1 32 32 VAL HA H 32 3.867 3.867 4.007 -0.140 19628 467 1 2 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.902 0.118 19628 468 1 2 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.418 -0.344 19628 469 1 2 . 1 1 33 33 GLY N N 33 107.690 107.690 105.253 2.437 19628 470 1 2 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.671 1.095 19628 471 1 2 . 1 1 34 34 ALA N N 34 120.706 120.706 121.977 -1.271 19628 472 1 2 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.873 0.281 19628 473 1 2 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.101 -2.282 19628 474 1 2 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.258 0.604 19628 475 1 2 . 1 1 35 35 TYR N N 35 115.457 115.457 119.995 -4.538 19628 476 1 2 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.872 0.071 19628 477 1 2 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.631 0.696 19628 478 1 2 . 1 1 35 35 TYR CB C 35 42.558 42.558 41.304 1.254 19628 479 1 2 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.442 0.218 19628 480 1 2 . 1 1 36 36 PRO C C 36 174.733 174.733 176.004 -1.271 19628 481 1 2 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.540 0.399 19628 482 1 2 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.528 -0.161 19628 483 1 2 . 1 1 37 37 SER N N 37 109.883 109.883 111.783 -1.900 19628 484 1 2 . 1 1 37 37 SER HA H 37 4.819 4.819 4.593 0.226 19628 485 1 2 . 1 1 37 37 SER C C 37 173.943 173.943 174.240 -0.297 19628 486 1 2 . 1 1 37 37 SER CA C 37 56.502 56.502 56.831 -0.329 19628 487 1 2 . 1 1 37 37 SER CB C 37 66.351 66.351 64.873 1.478 19628 488 1 2 . 1 1 38 38 TYR N N 38 122.819 122.819 127.792 -4.973 19628 489 1 2 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.451 -1.400 19628 490 1 2 . 1 1 38 38 TYR C C 38 177.295 177.295 176.630 0.665 19628 491 1 2 . 1 1 38 38 TYR CA C 38 62.073 62.073 60.026 2.047 19628 492 1 2 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.565 -0.901 19628 493 1 2 . 1 1 39 39 ASP N N 39 116.964 116.964 119.429 -2.465 19628 494 1 2 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.088 0.133 19628 495 1 2 . 1 1 39 39 ASP C C 39 179.740 179.740 178.258 1.482 19628 496 1 2 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.900 -0.146 19628 497 1 2 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.602 0.293 19628 498 1 2 . 1 1 40 40 GLU N N 40 116.783 116.783 118.245 -1.462 19628 499 1 2 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.983 -0.014 19628 500 1 2 . 1 1 40 40 GLU C C 40 178.947 178.947 178.466 0.481 19628 501 1 2 . 1 1 40 40 GLU CA C 40 59.212 59.212 59.024 0.188 19628 502 1 2 . 1 1 40 40 GLU CB C 40 30.282 30.282 29.094 1.188 19628 503 1 2 . 1 1 41 41 ALA N N 41 122.522 122.522 121.706 0.816 19628 504 1 2 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.015 -0.975 19628 505 1 2 . 1 1 41 41 ALA C C 41 178.474 178.474 179.318 -0.844 19628 506 1 2 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.863 -0.748 19628 507 1 2 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.308 0.239 19628 508 1 2 . 1 1 42 42 HIS N N 42 118.486 118.486 117.834 0.652 19628 509 1 2 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.179 -0.329 19628 510 1 2 . 1 1 42 42 HIS C C 42 177.400 177.400 177.133 0.267 19628 511 1 2 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.837 1.350 19628 512 1 2 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.752 0.247 19628 513 1 2 . 1 1 43 43 LYS N N 43 118.483 118.483 119.154 -0.671 19628 514 1 2 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.021 -0.166 19628 515 1 2 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.615 2.469 19628 516 1 2 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.085 0.611 19628 517 1 2 . 1 1 44 44 ALA N N 44 121.891 121.891 122.241 -0.350 19628 518 1 2 . 1 1 44 44 ALA HA H 44 3.967 3.967 3.971 -0.004 19628 519 1 2 . 1 1 44 44 ALA C C 44 180.412 180.412 178.803 1.609 19628 520 1 2 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.818 -0.113 19628 521 1 2 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.873 1.186 19628 522 1 2 . 1 1 45 45 TRP N N 45 119.065 119.065 120.094 -1.029 19628 523 1 2 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.277 -0.843 19628 524 1 2 . 1 1 45 45 TRP C C 45 176.748 176.748 177.557 -0.809 19628 525 1 2 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.420 1.120 19628 526 1 2 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.200 -0.058 19628 527 1 2 . 1 1 46 46 LYS N N 46 119.011 119.011 118.925 0.086 19628 528 1 2 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.275 -0.332 19628 529 1 2 . 1 1 46 46 LYS C C 46 178.523 178.523 177.981 0.542 19628 530 1 2 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.144 1.143 19628 531 1 2 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.447 1.090 19628 532 1 2 . 1 1 47 47 ALA N N 47 118.189 118.189 121.888 -3.699 19628 533 1 2 . 1 1 47 47 ALA HA H 47 3.960 3.960 4.060 -0.100 19628 534 1 2 . 1 1 47 47 ALA C C 47 180.604 180.604 179.004 1.600 19628 535 1 2 . 1 1 47 47 ALA CA C 47 54.203 54.203 54.576 -0.373 19628 536 1 2 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.121 0.046 19628 537 1 2 . 1 1 48 48 LYS N N 48 116.778 116.778 117.124 -0.346 19628 538 1 2 . 1 1 48 48 LYS HA H 48 3.760 3.760 4.116 -0.356 19628 539 1 2 . 1 1 48 48 LYS C C 48 178.378 178.378 178.125 0.253 19628 540 1 2 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.530 -1.593 19628 541 1 2 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.487 -2.078 19628 542 1 2 . 1 1 49 49 ALA N N 49 121.343 121.343 122.770 -1.427 19628 543 1 2 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.050 -0.290 19628 544 1 2 . 1 1 49 49 ALA C C 49 180.075 180.075 180.413 -0.338 19628 545 1 2 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.836 -0.759 19628 546 1 2 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.157 -0.535 19628 547 1 2 . 1 1 50 50 GLN N N 50 114.507 114.507 117.696 -3.189 19628 548 1 2 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.025 0.094 19628 549 1 2 . 1 1 50 50 GLN C C 50 176.838 176.838 177.691 -0.853 19628 550 1 2 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.788 -1.145 19628 551 1 2 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.819 -0.009 19628 552 1 2 . 1 1 51 51 ALA N N 51 121.078 121.078 122.208 -1.130 19628 553 1 2 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.219 0.159 19628 554 1 2 . 1 1 51 51 ALA C C 51 178.394 178.394 178.378 0.016 19628 555 1 2 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.799 -0.976 19628 556 1 2 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.916 0.439 19628 557 1 2 . 1 1 52 52 THR N N 52 111.735 111.735 112.268 -0.533 19628 558 1 2 . 1 1 52 52 THR HA H 52 4.443 4.443 4.340 0.103 19628 559 1 2 . 1 1 52 52 THR C C 52 175.345 175.345 174.241 1.104 19628 560 1 2 . 1 1 52 52 THR CA C 52 61.884 61.884 61.512 0.372 19628 561 1 2 . 1 1 52 52 THR CB C 52 69.455 69.455 67.604 1.851 19628 562 1 2 . 1 1 53 53 VAL N N 53 120.702 120.702 123.403 -2.701 19628 563 1 2 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.881 0.254 19628 564 1 2 . 1 1 53 53 VAL C C 53 176.425 176.425 176.720 -0.295 19628 565 1 2 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.198 -1.193 19628 566 1 2 . 1 1 53 53 VAL CB C 53 32.723 32.723 32.120 0.603 19628 567 1 2 . 1 1 54 54 ASP N N 54 120.122 120.122 120.110 0.012 19628 568 1 2 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.408 0.198 19628 569 1 2 . 1 1 54 54 ASP C C 54 176.471 176.471 176.102 0.369 19628 570 1 2 . 1 1 54 54 ASP CA C 54 54.740 54.740 56.054 -1.314 19628 571 1 2 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.122 0.036 19628 572 1 2 . 1 1 55 55 ASN N N 55 117.542 117.542 116.766 0.776 19628 573 1 2 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.515 0.252 19628 574 1 2 . 1 1 55 55 ASN C C 55 175.457 175.457 174.638 0.819 19628 575 1 2 . 1 1 55 55 ASN CA C 55 53.082 53.082 54.714 -1.632 19628 576 1 2 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.331 -0.631 19628 577 1 2 . 1 1 56 56 ALA N N 56 122.962 122.962 123.533 -0.571 19628 578 1 2 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.420 -0.113 19628 579 1 2 . 1 1 56 56 ALA C C 56 178.144 178.144 177.499 0.645 19628 580 1 2 . 1 1 56 56 ALA CA C 56 53.189 53.189 53.196 -0.007 19628 581 1 2 . 1 1 56 56 ALA CB C 56 19.270 19.270 20.615 -1.345 19628 582 1 2 . 1 1 57 57 HIS N N 57 114.258 114.258 115.986 -1.728 19628 583 1 2 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.741 -0.023 19628 584 1 2 . 1 1 57 57 HIS C C 57 174.283 174.283 174.210 0.073 19628 585 1 2 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.473 1.065 19628 586 1 2 . 1 1 57 57 HIS CB C 57 29.348 29.348 30.381 -1.032 19628 587 1 2 . 1 1 58 58 ALA N N 58 122.364 122.364 124.268 -1.904 19628 588 1 2 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.388 -0.087 19628 589 1 2 . 1 1 58 58 ALA C C 58 176.549 176.549 176.851 -0.302 19628 590 1 2 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.411 0.838 19628 591 1 2 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.334 1.564 19628 592 1 2 . 1 1 59 59 ARG N N 59 120.664 120.664 125.186 -4.522 19628 593 1 2 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.305 0.272 19628 594 1 2 . 1 1 59 59 ARG C C 59 174.047 174.047 174.819 -0.772 19628 595 1 2 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.077 -0.118 19628 596 1 2 . 1 1 59 59 ARG CB C 59 34.241 34.241 30.100 4.141 19628 597 1 2 . 1 1 60 60 TYR N N 60 117.222 117.222 124.566 -7.344 19628 598 1 2 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.316 1.087 19628 599 1 2 . 1 1 60 60 TYR C C 60 176.206 176.206 174.492 1.714 19628 600 1 2 . 1 1 60 60 TYR CA C 60 57.256 57.256 59.751 -2.494 19628 601 1 2 . 1 1 60 60 TYR CB C 60 42.214 42.214 38.656 3.558 19628 602 1 2 . 1 1 61 61 PHE N N 61 117.727 117.727 119.698 -1.971 19628 603 1 2 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.164 0.130 19628 604 1 2 . 1 1 61 61 PHE C C 61 174.358 174.358 175.305 -0.947 19628 605 1 2 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.480 0.643 19628 606 1 2 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.903 2.916 19628 607 1 2 . 1 1 62 62 ILE N N 62 118.711 118.711 119.620 -0.909 19628 608 1 2 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.900 0.214 19628 609 1 2 . 1 1 62 62 ILE C C 62 174.937 174.937 175.207 -0.270 19628 610 1 2 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.394 0.231 19628 611 1 2 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.353 -0.179 19628 612 1 2 . 1 1 63 63 ILE N N 63 125.236 125.236 123.544 1.692 19628 613 1 2 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.601 0.131 19628 614 1 2 . 1 1 63 63 ILE C C 63 176.218 176.218 174.347 1.871 19628 615 1 2 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.507 0.314 19628 616 1 2 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.979 -0.438 19628 617 1 2 . 1 1 64 64 HIS N N 64 127.707 127.707 120.515 7.192 19628 618 1 2 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.270 0.283 19628 619 1 2 . 1 1 64 64 HIS C C 64 174.365 174.365 174.489 -0.124 19628 620 1 2 . 1 1 64 64 HIS CA C 64 53.539 53.539 54.921 -1.382 19628 621 1 2 . 1 1 64 64 HIS CB C 64 30.765 30.765 29.367 1.398 19628 622 1 2 . 1 1 65 65 ALA N N 65 131.873 131.873 127.697 4.176 19628 623 1 2 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.467 0.088 19628 624 1 2 . 1 1 65 65 ALA C C 65 174.433 174.433 176.319 -1.886 19628 625 1 2 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.307 -0.933 19628 626 1 2 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.378 -0.611 19628 627 1 2 . 1 1 66 66 HIS N N 66 120.753 120.753 118.409 2.344 19628 628 1 2 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.567 -0.396 19628 629 1 2 . 1 1 66 66 HIS C C 66 175.249 175.249 175.344 -0.095 19628 630 1 2 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.274 -0.775 19628 631 1 2 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.892 -0.322 19628 632 1 2 . 1 1 67 67 LYS N N 67 117.601 117.601 121.045 -3.444 19628 633 1 2 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.452 -0.025 19628 634 1 2 . 1 1 67 67 LYS C C 67 174.799 174.799 175.686 -0.887 19628 635 1 2 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.021 0.047 19628 636 1 2 . 1 1 67 67 LYS CB C 67 34.784 34.784 31.412 3.372 19628 637 1 2 . 1 1 68 68 LEU N N 68 127.238 127.238 125.032 2.206 19628 638 1 2 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.401 0.046 19628 639 1 2 . 1 1 68 68 LEU C C 68 175.878 175.878 177.298 -1.420 19628 640 1 2 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.718 0.745 19628 641 1 2 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.600 -1.028 19628 642 1 2 . 1 1 69 69 LEU N N 69 123.968 123.968 124.099 -0.131 19628 643 1 2 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.315 0.200 19628 644 1 2 . 1 1 69 69 LEU C C 69 176.630 176.630 176.201 0.429 19628 645 1 2 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.526 0.678 19628 646 1 2 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.060 1.172 19628 647 1 2 . 1 1 70 70 ASP N N 70 122.630 122.630 124.281 -1.651 19628 648 1 2 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.852 0.385 19628 649 1 2 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.199 -1.210 19628 650 1 2 . 1 1 70 70 ASP CB C 70 42.502 42.502 41.225 1.277 19628 651 1 2 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.533 -0.226 19628 652 1 2 . 1 1 71 71 PRO C C 71 177.095 177.095 177.541 -0.446 19628 653 1 2 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.971 -1.419 19628 654 1 2 . 1 1 71 71 PRO CB C 71 30.961 30.961 31.968 -1.007 19628 655 1 2 . 1 1 72 72 SER N N 72 114.226 114.226 112.841 1.385 19628 656 1 2 . 1 1 72 72 SER HA H 72 4.455 4.455 4.296 0.159 19628 657 1 2 . 1 1 72 72 SER C C 72 175.162 175.162 175.380 -0.218 19628 658 1 2 . 1 1 72 72 SER CA C 72 60.232 60.232 60.539 -0.307 19628 659 1 2 . 1 1 72 72 SER CB C 72 63.899 63.899 63.701 0.198 19628 660 1 2 . 1 1 73 73 GLU N N 73 121.971 121.971 118.982 2.989 19628 661 1 2 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.539 -0.131 19628 662 1 2 . 1 1 73 73 GLU C C 73 176.312 176.312 176.931 -0.619 19628 663 1 2 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.208 0.405 19628 664 1 2 . 1 1 73 73 GLU CB C 73 30.879 30.879 31.638 -0.759 19628 665 1 3 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.784 -0.248 19628 666 1 3 . 1 1 2 2 PRO C C 2 176.988 176.988 175.780 1.208 19628 667 1 3 . 1 1 2 2 PRO CA C 2 63.332 63.332 63.019 0.313 19628 668 1 3 . 1 1 2 2 PRO CB C 2 32.241 32.241 30.896 1.345 19628 669 1 3 . 1 1 3 3 ASP N N 3 120.121 120.121 121.469 -1.348 19628 670 1 3 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.473 0.153 19628 671 1 3 . 1 1 3 3 ASP C C 3 176.550 176.550 175.644 0.906 19628 672 1 3 . 1 1 3 3 ASP CA C 3 54.584 54.584 54.468 0.117 19628 673 1 3 . 1 1 3 3 ASP CB C 3 41.274 41.274 41.205 0.069 19628 674 1 3 . 1 1 4 4 LYS N N 4 120.298 120.298 120.857 -0.559 19628 675 1 3 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.577 -0.126 19628 676 1 3 . 1 1 4 4 LYS C C 4 176.439 176.439 175.977 0.462 19628 677 1 3 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.945 -0.037 19628 678 1 3 . 1 1 4 4 LYS CB C 4 33.819 33.819 33.070 0.749 19628 679 1 3 . 1 1 5 5 GLN N N 5 122.085 122.085 123.555 -1.470 19628 680 1 3 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.138 0.325 19628 681 1 3 . 1 1 5 5 GLN C C 5 175.305 175.305 176.476 -1.171 19628 682 1 3 . 1 1 5 5 GLN CA C 5 56.317 56.317 57.168 -0.851 19628 683 1 3 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.572 1.896 19628 684 1 3 . 1 1 6 6 LEU N N 6 127.607 127.607 123.052 4.555 19628 685 1 3 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.462 0.311 19628 686 1 3 . 1 1 6 6 LEU C C 6 176.477 176.477 175.253 1.224 19628 687 1 3 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.135 -1.066 19628 688 1 3 . 1 1 6 6 LEU CB C 6 42.540 42.540 41.792 0.748 19628 689 1 3 . 1 1 7 7 LEU N N 7 124.306 124.306 124.713 -0.407 19628 690 1 3 . 1 1 7 7 LEU HA H 7 4.587 4.587 5.014 -0.427 19628 691 1 3 . 1 1 7 7 LEU C C 7 176.499 176.499 175.420 1.079 19628 692 1 3 . 1 1 7 7 LEU CA C 7 57.062 57.062 52.876 4.186 19628 693 1 3 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.408 -0.842 19628 694 1 3 . 1 1 8 8 HIS N N 8 124.882 124.882 119.491 5.391 19628 695 1 3 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.156 0.635 19628 696 1 3 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.022 0.279 19628 697 1 3 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.038 4.501 19628 698 1 3 . 1 1 9 9 ILE N N 9 119.723 119.723 119.999 -0.276 19628 699 1 3 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.296 1.263 19628 700 1 3 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.239 -2.229 19628 701 1 3 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.945 3.655 19628 702 1 3 . 1 1 10 10 VAL N N 10 124.236 124.236 116.761 7.475 19628 703 1 3 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.711 0.870 19628 704 1 3 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.731 0.563 19628 705 1 3 . 1 1 10 10 VAL CB C 10 34.158 34.158 33.391 0.767 19628 706 1 3 . 1 1 11 11 VAL N N 11 119.677 119.677 124.505 -4.828 19628 707 1 3 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.557 1.186 19628 708 1 3 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.907 -1.817 19628 709 1 3 . 1 1 11 11 VAL CB C 11 36.591 36.591 34.913 1.678 19628 710 1 3 . 1 1 12 12 GLY N N 12 107.410 107.410 114.038 -6.628 19628 711 1 3 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.463 2.104 19628 712 1 3 . 1 1 13 13 GLY N N 13 103.550 103.550 106.227 -2.677 19628 713 1 3 . 1 1 13 13 GLY C C 13 172.290 172.290 172.643 -0.353 19628 714 1 3 . 1 1 13 13 GLY CA C 13 45.021 45.021 45.289 -0.268 19628 715 1 3 . 1 1 14 14 GLU N N 14 118.735 118.735 120.970 -2.235 19628 716 1 3 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.755 -0.147 19628 717 1 3 . 1 1 14 14 GLU C C 14 177.819 177.819 176.670 1.149 19628 718 1 3 . 1 1 14 14 GLU CA C 14 56.488 56.488 55.934 0.554 19628 719 1 3 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.738 0.263 19628 720 1 3 . 1 1 15 15 LEU N N 15 125.767 125.767 124.976 0.791 19628 721 1 3 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.583 0.289 19628 722 1 3 . 1 1 15 15 LEU C C 15 178.742 178.742 177.666 1.076 19628 723 1 3 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.938 0.383 19628 724 1 3 . 1 1 15 15 LEU CB C 15 42.981 42.981 42.613 0.368 19628 725 1 3 . 1 1 16 16 LYS N N 16 120.328 120.328 115.532 4.796 19628 726 1 3 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.233 -0.076 19628 727 1 3 . 1 1 16 16 LYS CA C 16 57.359 57.359 55.777 1.582 19628 728 1 3 . 1 1 16 16 LYS CB C 16 34.874 34.874 32.969 1.905 19628 729 1 3 . 1 1 17 17 ASP N N 17 121.541 121.541 116.963 4.578 19628 730 1 3 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.385 0.479 19628 731 1 3 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.693 0.791 19628 732 1 3 . 1 1 17 17 ASP CB C 17 40.908 40.908 44.277 -3.369 19628 733 1 3 . 1 1 18 18 VAL N N 18 117.413 117.413 116.220 1.193 19628 734 1 3 . 1 1 18 18 VAL HA H 18 4.333 4.333 4.286 0.047 19628 735 1 3 . 1 1 18 18 VAL C C 18 175.600 175.600 176.506 -0.906 19628 736 1 3 . 1 1 18 18 VAL CA C 18 61.089 61.089 63.760 -2.671 19628 737 1 3 . 1 1 18 18 VAL CB C 18 34.254 34.254 32.422 1.832 19628 738 1 3 . 1 1 19 19 ALA N N 19 122.852 122.852 121.230 1.622 19628 739 1 3 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.645 -0.252 19628 740 1 3 . 1 1 19 19 ALA C C 19 178.737 178.737 178.600 0.137 19628 741 1 3 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.467 0.474 19628 742 1 3 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.973 -0.976 19628 743 1 3 . 1 1 20 20 GLY N N 20 107.686 107.686 108.033 -0.347 19628 744 1 3 . 1 1 20 20 GLY C C 20 173.316 173.316 174.991 -1.675 19628 745 1 3 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.353 0.258 19628 746 1 3 . 1 1 21 21 VAL N N 21 117.897 117.897 122.485 -4.588 19628 747 1 3 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.973 -0.023 19628 748 1 3 . 1 1 21 21 VAL C C 21 174.804 174.804 175.051 -0.247 19628 749 1 3 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.303 0.723 19628 750 1 3 . 1 1 21 21 VAL CB C 21 32.034 32.034 30.994 1.040 19628 751 1 3 . 1 1 22 22 GLU N N 22 124.637 124.637 122.806 1.831 19628 752 1 3 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.355 -0.035 19628 753 1 3 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.202 0.703 19628 754 1 3 . 1 1 22 22 GLU CB C 22 32.883 32.883 27.379 5.504 19628 755 1 3 . 1 1 23 23 PHE N N 23 124.102 124.102 124.293 -0.191 19628 756 1 3 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.301 0.394 19628 757 1 3 . 1 1 23 23 PHE C C 23 177.013 177.013 176.382 0.631 19628 758 1 3 . 1 1 23 23 PHE CA C 23 59.019 59.019 59.670 -0.651 19628 759 1 3 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.507 0.264 19628 760 1 3 . 1 1 24 24 ARG N N 24 121.555 121.555 124.851 -3.296 19628 761 1 3 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.084 -0.216 19628 762 1 3 . 1 1 24 24 ARG C C 24 176.567 176.567 176.334 0.233 19628 763 1 3 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.410 0.892 19628 764 1 3 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.989 -0.134 19628 765 1 3 . 1 1 25 25 ASP N N 25 116.629 116.629 116.080 0.549 19628 766 1 3 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.824 -0.033 19628 767 1 3 . 1 1 25 25 ASP C C 25 177.266 177.266 176.632 0.634 19628 768 1 3 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.588 -0.780 19628 769 1 3 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.998 -1.036 19628 770 1 3 . 1 1 26 26 LEU N N 26 125.814 125.814 125.707 0.107 19628 771 1 3 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.359 -0.403 19628 772 1 3 . 1 1 26 26 LEU C C 26 178.850 178.850 177.723 1.127 19628 773 1 3 . 1 1 26 26 LEU CA C 26 57.354 57.354 55.714 1.640 19628 774 1 3 . 1 1 26 26 LEU CB C 26 40.910 40.910 40.863 0.047 19628 775 1 3 . 1 1 27 27 SER N N 27 113.793 113.793 114.244 -0.451 19628 776 1 3 . 1 1 27 27 SER HA H 27 4.454 4.454 4.424 0.030 19628 777 1 3 . 1 1 27 27 SER C C 27 175.696 175.696 175.392 0.304 19628 778 1 3 . 1 1 27 27 SER CA C 27 60.804 60.804 59.674 1.130 19628 779 1 3 . 1 1 27 27 SER CB C 27 63.311 63.311 63.550 -0.239 19628 780 1 3 . 1 1 28 28 LYS N N 28 120.122 120.122 120.685 -0.563 19628 781 1 3 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.519 0.102 19628 782 1 3 . 1 1 28 28 LYS C C 28 177.281 177.281 175.354 1.927 19628 783 1 3 . 1 1 28 28 LYS CA C 28 54.663 54.663 54.530 0.133 19628 784 1 3 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.376 0.700 19628 785 1 3 . 1 1 29 29 VAL N N 29 120.916 120.916 116.510 4.406 19628 786 1 3 . 1 1 29 29 VAL HA H 29 3.873 3.873 4.132 -0.259 19628 787 1 3 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.262 3.363 19628 788 1 3 . 1 1 29 29 VAL CB C 29 32.440 32.440 30.502 1.938 19628 789 1 3 . 1 1 30 30 GLU N N 30 127.248 127.248 128.039 -0.791 19628 790 1 3 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.198 0.196 19628 791 1 3 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.174 -0.747 19628 792 1 3 . 1 1 30 30 GLU CB C 30 32.178 32.178 29.993 2.185 19628 793 1 3 . 1 1 31 31 PHE N N 31 126.351 126.351 126.094 0.257 19628 794 1 3 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.401 0.075 19628 795 1 3 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.771 -2.338 19628 796 1 3 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.643 -3.008 19628 797 1 3 . 1 1 32 32 VAL N N 32 128.354 128.354 122.452 5.902 19628 798 1 3 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.699 0.168 19628 799 1 3 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.612 0.408 19628 800 1 3 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.159 -0.085 19628 801 1 3 . 1 1 33 33 GLY N N 33 107.690 107.690 105.836 1.854 19628 802 1 3 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.612 1.154 19628 803 1 3 . 1 1 34 34 ALA N N 34 120.706 120.706 121.720 -1.014 19628 804 1 3 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.857 0.297 19628 805 1 3 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.106 -2.287 19628 806 1 3 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.227 0.635 19628 807 1 3 . 1 1 35 35 TYR N N 35 115.457 115.457 119.304 -3.847 19628 808 1 3 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.856 0.087 19628 809 1 3 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.579 0.748 19628 810 1 3 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.415 2.143 19628 811 1 3 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.533 0.127 19628 812 1 3 . 1 1 36 36 PRO C C 36 174.733 174.733 175.829 -1.096 19628 813 1 3 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.425 0.514 19628 814 1 3 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.538 -0.172 19628 815 1 3 . 1 1 37 37 SER N N 37 109.883 109.883 111.212 -1.329 19628 816 1 3 . 1 1 37 37 SER HA H 37 4.819 4.819 4.604 0.215 19628 817 1 3 . 1 1 37 37 SER C C 37 173.943 173.943 173.771 0.172 19628 818 1 3 . 1 1 37 37 SER CA C 37 56.502 56.502 56.384 0.118 19628 819 1 3 . 1 1 37 37 SER CB C 37 66.351 66.351 64.865 1.486 19628 820 1 3 . 1 1 38 38 TYR N N 38 122.819 122.819 126.121 -3.302 19628 821 1 3 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.293 -1.242 19628 822 1 3 . 1 1 38 38 TYR C C 38 177.295 177.295 176.813 0.482 19628 823 1 3 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.636 0.437 19628 824 1 3 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.896 -1.232 19628 825 1 3 . 1 1 39 39 ASP N N 39 116.964 116.964 117.966 -1.002 19628 826 1 3 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.331 -0.110 19628 827 1 3 . 1 1 39 39 ASP C C 39 179.740 179.740 178.128 1.612 19628 828 1 3 . 1 1 39 39 ASP CA C 39 57.754 57.754 56.368 1.385 19628 829 1 3 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.381 0.514 19628 830 1 3 . 1 1 40 40 GLU N N 40 116.783 116.783 118.539 -1.756 19628 831 1 3 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.953 0.016 19628 832 1 3 . 1 1 40 40 GLU C C 40 178.947 178.947 178.080 0.867 19628 833 1 3 . 1 1 40 40 GLU CA C 40 59.212 59.212 59.022 0.190 19628 834 1 3 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.930 1.352 19628 835 1 3 . 1 1 41 41 ALA N N 41 122.522 122.522 121.828 0.694 19628 836 1 3 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.827 -0.787 19628 837 1 3 . 1 1 41 41 ALA C C 41 178.474 178.474 179.114 -0.640 19628 838 1 3 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.675 -0.560 19628 839 1 3 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.135 0.413 19628 840 1 3 . 1 1 42 42 HIS N N 42 118.486 118.486 117.710 0.776 19628 841 1 3 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.040 -0.190 19628 842 1 3 . 1 1 42 42 HIS C C 42 177.400 177.400 177.141 0.259 19628 843 1 3 . 1 1 42 42 HIS CA C 42 60.187 60.187 59.106 1.081 19628 844 1 3 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.664 0.335 19628 845 1 3 . 1 1 43 43 LYS N N 43 118.483 118.483 119.432 -0.949 19628 846 1 3 . 1 1 43 43 LYS HA H 43 3.855 3.855 3.842 0.013 19628 847 1 3 . 1 1 43 43 LYS CA C 43 60.084 60.084 58.481 1.603 19628 848 1 3 . 1 1 43 43 LYS CB C 43 32.696 32.696 31.764 0.932 19628 849 1 3 . 1 1 44 44 ALA N N 44 121.891 121.891 121.442 0.449 19628 850 1 3 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.038 -0.071 19628 851 1 3 . 1 1 44 44 ALA C C 44 180.412 180.412 178.897 1.515 19628 852 1 3 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.362 0.343 19628 853 1 3 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.686 1.373 19628 854 1 3 . 1 1 45 45 TRP N N 45 119.065 119.065 120.397 -1.332 19628 855 1 3 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.253 -0.819 19628 856 1 3 . 1 1 45 45 TRP C C 45 176.748 176.748 177.454 -0.706 19628 857 1 3 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.534 1.006 19628 858 1 3 . 1 1 45 45 TRP CB C 45 29.142 29.142 28.999 0.143 19628 859 1 3 . 1 1 46 46 LYS N N 46 119.011 119.011 118.765 0.246 19628 860 1 3 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.183 -0.240 19628 861 1 3 . 1 1 46 46 LYS C C 46 178.523 178.523 178.105 0.418 19628 862 1 3 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.026 1.261 19628 863 1 3 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.197 1.340 19628 864 1 3 . 1 1 47 47 ALA N N 47 118.189 118.189 122.410 -4.221 19628 865 1 3 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.968 -0.008 19628 866 1 3 . 1 1 47 47 ALA C C 47 180.604 180.604 179.942 0.662 19628 867 1 3 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.157 -0.954 19628 868 1 3 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.189 -0.023 19628 869 1 3 . 1 1 48 48 LYS N N 48 116.778 116.778 117.564 -0.786 19628 870 1 3 . 1 1 48 48 LYS HA H 48 3.760 3.760 4.246 -0.486 19628 871 1 3 . 1 1 48 48 LYS C C 48 178.378 178.378 178.628 -0.250 19628 872 1 3 . 1 1 48 48 LYS CA C 48 55.937 55.937 58.187 -2.250 19628 873 1 3 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.788 -2.379 19628 874 1 3 . 1 1 49 49 ALA N N 49 121.343 121.343 122.473 -1.130 19628 875 1 3 . 1 1 49 49 ALA HA H 49 3.760 3.760 3.795 -0.035 19628 876 1 3 . 1 1 49 49 ALA C C 49 180.075 180.075 179.755 0.320 19628 877 1 3 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.502 -0.425 19628 878 1 3 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.178 -0.556 19628 879 1 3 . 1 1 50 50 GLN N N 50 114.507 114.507 116.712 -2.205 19628 880 1 3 . 1 1 50 50 GLN HA H 50 4.119 4.119 3.968 0.151 19628 881 1 3 . 1 1 50 50 GLN C C 50 176.838 176.838 176.958 -0.120 19628 882 1 3 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.743 -1.100 19628 883 1 3 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.684 0.126 19628 884 1 3 . 1 1 51 51 ALA N N 51 121.078 121.078 120.578 0.500 19628 885 1 3 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.298 0.080 19628 886 1 3 . 1 1 51 51 ALA C C 51 178.394 178.394 178.603 -0.209 19628 887 1 3 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.611 -0.788 19628 888 1 3 . 1 1 51 51 ALA CB C 51 19.355 19.355 19.251 0.104 19628 889 1 3 . 1 1 52 52 THR N N 52 111.735 111.735 112.610 -0.875 19628 890 1 3 . 1 1 52 52 THR HA H 52 4.443 4.443 4.310 0.133 19628 891 1 3 . 1 1 52 52 THR C C 52 175.345 175.345 174.322 1.023 19628 892 1 3 . 1 1 52 52 THR CA C 52 61.884 61.884 61.882 0.002 19628 893 1 3 . 1 1 52 52 THR CB C 52 69.455 69.455 67.175 2.280 19628 894 1 3 . 1 1 53 53 VAL N N 53 120.702 120.702 121.638 -0.936 19628 895 1 3 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.938 0.197 19628 896 1 3 . 1 1 53 53 VAL C C 53 176.425 176.425 176.233 0.192 19628 897 1 3 . 1 1 53 53 VAL CA C 53 63.005 63.005 63.161 -0.156 19628 898 1 3 . 1 1 53 53 VAL CB C 53 32.723 32.723 32.373 0.350 19628 899 1 3 . 1 1 54 54 ASP N N 54 120.122 120.122 120.464 -0.342 19628 900 1 3 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.345 0.261 19628 901 1 3 . 1 1 54 54 ASP C C 54 176.471 176.471 176.287 0.184 19628 902 1 3 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.999 -1.260 19628 903 1 3 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.117 0.041 19628 904 1 3 . 1 1 55 55 ASN N N 55 117.542 117.542 115.608 1.934 19628 905 1 3 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.536 0.231 19628 906 1 3 . 1 1 55 55 ASN C C 55 175.457 175.457 175.001 0.456 19628 907 1 3 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.615 -0.533 19628 908 1 3 . 1 1 55 55 ASN CB C 55 38.700 38.700 38.939 -0.239 19628 909 1 3 . 1 1 56 56 ALA N N 56 122.962 122.962 123.542 -0.580 19628 910 1 3 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.060 0.247 19628 911 1 3 . 1 1 56 56 ALA C C 56 178.144 178.144 177.621 0.523 19628 912 1 3 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.030 -0.841 19628 913 1 3 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.238 0.032 19628 914 1 3 . 1 1 57 57 HIS N N 57 114.258 114.258 114.546 -0.288 19628 915 1 3 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.597 0.121 19628 916 1 3 . 1 1 57 57 HIS C C 57 174.283 174.283 173.952 0.331 19628 917 1 3 . 1 1 57 57 HIS CA C 57 55.538 55.538 55.031 0.507 19628 918 1 3 . 1 1 57 57 HIS CB C 57 29.348 29.348 30.676 -1.328 19628 919 1 3 . 1 1 58 58 ALA N N 58 122.364 122.364 124.912 -2.548 19628 920 1 3 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.583 -0.282 19628 921 1 3 . 1 1 58 58 ALA C C 58 176.549 176.549 176.574 -0.025 19628 922 1 3 . 1 1 58 58 ALA CA C 58 52.249 52.249 52.346 -0.097 19628 923 1 3 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.169 1.729 19628 924 1 3 . 1 1 59 59 ARG N N 59 120.664 120.664 125.408 -4.744 19628 925 1 3 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.504 0.073 19628 926 1 3 . 1 1 59 59 ARG C C 59 174.047 174.047 174.798 -0.751 19628 927 1 3 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.094 -0.135 19628 928 1 3 . 1 1 59 59 ARG CB C 59 34.241 34.241 32.436 1.805 19628 929 1 3 . 1 1 60 60 TYR N N 60 117.222 117.222 124.819 -7.597 19628 930 1 3 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.656 0.747 19628 931 1 3 . 1 1 60 60 TYR C C 60 176.206 176.206 174.285 1.921 19628 932 1 3 . 1 1 60 60 TYR CA C 60 57.256 57.256 56.828 0.428 19628 933 1 3 . 1 1 60 60 TYR CB C 60 42.214 42.214 39.086 3.128 19628 934 1 3 . 1 1 61 61 PHE N N 61 117.727 117.727 118.739 -1.012 19628 935 1 3 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.079 0.215 19628 936 1 3 . 1 1 61 61 PHE C C 61 174.358 174.358 175.295 -0.937 19628 937 1 3 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.786 0.337 19628 938 1 3 . 1 1 61 61 PHE CB C 61 45.819 45.819 43.022 2.797 19628 939 1 3 . 1 1 62 62 ILE N N 62 118.711 118.711 119.003 -0.292 19628 940 1 3 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.741 0.373 19628 941 1 3 . 1 1 62 62 ILE C C 62 174.937 174.937 174.811 0.126 19628 942 1 3 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.172 0.453 19628 943 1 3 . 1 1 62 62 ILE CB C 62 41.174 41.174 42.016 -0.842 19628 944 1 3 . 1 1 63 63 ILE N N 63 125.236 125.236 121.845 3.391 19628 945 1 3 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.276 0.456 19628 946 1 3 . 1 1 63 63 ILE C C 63 176.218 176.218 174.236 1.982 19628 947 1 3 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.381 0.440 19628 948 1 3 . 1 1 63 63 ILE CB C 63 42.541 42.541 43.239 -0.698 19628 949 1 3 . 1 1 64 64 HIS N N 64 127.707 127.707 121.375 6.332 19628 950 1 3 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.332 0.221 19628 951 1 3 . 1 1 64 64 HIS C C 64 174.365 174.365 174.425 -0.060 19628 952 1 3 . 1 1 64 64 HIS CA C 64 53.539 53.539 54.357 -0.818 19628 953 1 3 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.270 2.495 19628 954 1 3 . 1 1 65 65 ALA N N 65 131.873 131.873 127.736 4.137 19628 955 1 3 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.425 0.130 19628 956 1 3 . 1 1 65 65 ALA C C 65 174.433 174.433 176.626 -2.193 19628 957 1 3 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.942 -1.568 19628 958 1 3 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.602 -0.835 19628 959 1 3 . 1 1 66 66 HIS N N 66 120.753 120.753 117.348 3.405 19628 960 1 3 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.437 -0.266 19628 961 1 3 . 1 1 66 66 HIS C C 66 175.249 175.249 175.374 -0.125 19628 962 1 3 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.822 -1.323 19628 963 1 3 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.215 0.355 19628 964 1 3 . 1 1 67 67 LYS N N 67 117.601 117.601 120.240 -2.639 19628 965 1 3 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.525 -0.098 19628 966 1 3 . 1 1 67 67 LYS C C 67 174.799 174.799 175.154 -0.355 19628 967 1 3 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.460 -0.392 19628 968 1 3 . 1 1 67 67 LYS CB C 67 34.784 34.784 32.960 1.824 19628 969 1 3 . 1 1 68 68 LEU N N 68 127.238 127.238 125.614 1.624 19628 970 1 3 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.666 -0.219 19628 971 1 3 . 1 1 68 68 LEU C C 68 175.878 175.878 176.863 -0.985 19628 972 1 3 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.721 0.742 19628 973 1 3 . 1 1 68 68 LEU CB C 68 41.572 41.572 43.643 -2.071 19628 974 1 3 . 1 1 69 69 LEU N N 69 123.968 123.968 124.530 -0.562 19628 975 1 3 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.340 0.175 19628 976 1 3 . 1 1 69 69 LEU C C 69 176.630 176.630 176.488 0.142 19628 977 1 3 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.698 0.506 19628 978 1 3 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.227 1.005 19628 979 1 3 . 1 1 70 70 ASP N N 70 122.630 122.630 125.211 -2.581 19628 980 1 3 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.912 0.325 19628 981 1 3 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.535 -1.546 19628 982 1 3 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.509 -0.007 19628 983 1 3 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.437 -0.130 19628 984 1 3 . 1 1 71 71 PRO C C 71 177.095 177.095 177.153 -0.058 19628 985 1 3 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.577 -1.025 19628 986 1 3 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.163 -1.202 19628 987 1 3 . 1 1 72 72 SER N N 72 114.226 114.226 114.832 -0.606 19628 988 1 3 . 1 1 72 72 SER HA H 72 4.455 4.455 4.258 0.197 19628 989 1 3 . 1 1 72 72 SER C C 72 175.162 175.162 175.918 -0.756 19628 990 1 3 . 1 1 72 72 SER CA C 72 60.232 60.232 60.715 -0.483 19628 991 1 3 . 1 1 72 72 SER CB C 72 63.899 63.899 63.809 0.090 19628 992 1 3 . 1 1 73 73 GLU N N 73 121.971 121.971 119.389 2.582 19628 993 1 3 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.447 -0.039 19628 994 1 3 . 1 1 73 73 GLU C C 73 176.312 176.312 177.076 -0.764 19628 995 1 3 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.255 0.358 19628 996 1 3 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.330 0.549 19628 997 1 4 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.680 -0.144 19628 998 1 4 . 1 1 2 2 PRO C C 2 176.988 176.988 175.729 1.259 19628 999 1 4 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.608 0.724 19628 1000 1 4 . 1 1 2 2 PRO CB C 2 32.241 32.241 30.464 1.777 19628 1001 1 4 . 1 1 3 3 ASP N N 3 120.121 120.121 123.555 -3.434 19628 1002 1 4 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.685 -0.059 19628 1003 1 4 . 1 1 3 3 ASP C C 3 176.550 176.550 175.506 1.044 19628 1004 1 4 . 1 1 3 3 ASP CA C 3 54.584 54.584 54.485 0.099 19628 1005 1 4 . 1 1 3 3 ASP CB C 3 41.274 41.274 41.647 -0.373 19628 1006 1 4 . 1 1 4 4 LYS N N 4 120.298 120.298 126.224 -5.926 19628 1007 1 4 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.498 -0.047 19628 1008 1 4 . 1 1 4 4 LYS C C 4 176.439 176.439 177.111 -0.672 19628 1009 1 4 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.353 0.555 19628 1010 1 4 . 1 1 4 4 LYS CB C 4 33.819 33.819 32.393 1.426 19628 1011 1 4 . 1 1 5 5 GLN N N 5 122.085 122.085 122.991 -0.906 19628 1012 1 4 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.234 0.229 19628 1013 1 4 . 1 1 5 5 GLN C C 5 175.305 175.305 176.666 -1.361 19628 1014 1 4 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.523 -0.205 19628 1015 1 4 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.588 1.880 19628 1016 1 4 . 1 1 6 6 LEU N N 6 127.607 127.607 121.863 5.744 19628 1017 1 4 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.262 0.511 19628 1018 1 4 . 1 1 6 6 LEU C C 6 176.477 176.477 175.507 0.970 19628 1019 1 4 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.409 -1.340 19628 1020 1 4 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.274 0.266 19628 1021 1 4 . 1 1 7 7 LEU N N 7 124.306 124.306 121.813 2.493 19628 1022 1 4 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.814 -0.227 19628 1023 1 4 . 1 1 7 7 LEU C C 7 176.499 176.499 175.112 1.387 19628 1024 1 4 . 1 1 7 7 LEU CA C 7 57.062 57.062 52.781 4.281 19628 1025 1 4 . 1 1 7 7 LEU CB C 7 42.566 42.566 42.740 -0.174 19628 1026 1 4 . 1 1 8 8 HIS N N 8 124.882 124.882 120.047 4.835 19628 1027 1 4 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.059 0.732 19628 1028 1 4 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.112 0.189 19628 1029 1 4 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.646 4.893 19628 1030 1 4 . 1 1 9 9 ILE N N 9 119.723 119.723 119.671 0.052 19628 1031 1 4 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.291 1.268 19628 1032 1 4 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.399 -2.389 19628 1033 1 4 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.932 3.668 19628 1034 1 4 . 1 1 10 10 VAL N N 10 124.236 124.236 117.001 7.235 19628 1035 1 4 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.963 0.618 19628 1036 1 4 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.457 0.837 19628 1037 1 4 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.625 1.533 19628 1038 1 4 . 1 1 11 11 VAL N N 11 119.677 119.677 118.133 1.544 19628 1039 1 4 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.711 1.032 19628 1040 1 4 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.206 -1.116 19628 1041 1 4 . 1 1 11 11 VAL CB C 11 36.591 36.591 34.906 1.685 19628 1042 1 4 . 1 1 12 12 GLY N N 12 107.410 107.410 108.104 -0.694 19628 1043 1 4 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.654 1.913 19628 1044 1 4 . 1 1 13 13 GLY N N 13 103.550 103.550 106.881 -3.331 19628 1045 1 4 . 1 1 13 13 GLY C C 13 172.290 172.290 172.517 -0.227 19628 1046 1 4 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.184 0.837 19628 1047 1 4 . 1 1 14 14 GLU N N 14 118.735 118.735 120.922 -2.187 19628 1048 1 4 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.850 -0.243 19628 1049 1 4 . 1 1 14 14 GLU C C 14 177.819 177.819 176.792 1.027 19628 1050 1 4 . 1 1 14 14 GLU CA C 14 56.488 56.488 55.642 0.845 19628 1051 1 4 . 1 1 14 14 GLU CB C 14 31.001 31.001 31.158 -0.157 19628 1052 1 4 . 1 1 15 15 LEU N N 15 125.767 125.767 124.274 1.493 19628 1053 1 4 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.883 -0.011 19628 1054 1 4 . 1 1 15 15 LEU C C 15 178.742 178.742 176.751 1.991 19628 1055 1 4 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.831 0.490 19628 1056 1 4 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.432 -0.451 19628 1057 1 4 . 1 1 16 16 LYS N N 16 120.328 120.328 117.770 2.558 19628 1058 1 4 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.138 0.019 19628 1059 1 4 . 1 1 16 16 LYS CA C 16 57.359 57.359 57.907 -0.548 19628 1060 1 4 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.293 1.581 19628 1061 1 4 . 1 1 17 17 ASP N N 17 121.541 121.541 115.883 5.658 19628 1062 1 4 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.807 0.057 19628 1063 1 4 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.529 0.955 19628 1064 1 4 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.380 -2.473 19628 1065 1 4 . 1 1 18 18 VAL N N 18 117.413 117.413 117.133 0.280 19628 1066 1 4 . 1 1 18 18 VAL HA H 18 4.333 4.333 4.039 0.294 19628 1067 1 4 . 1 1 18 18 VAL C C 18 175.600 175.600 177.088 -1.488 19628 1068 1 4 . 1 1 18 18 VAL CA C 18 61.089 61.089 65.107 -4.018 19628 1069 1 4 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.986 2.268 19628 1070 1 4 . 1 1 19 19 ALA N N 19 122.852 122.852 122.302 0.550 19628 1071 1 4 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.477 -0.084 19628 1072 1 4 . 1 1 19 19 ALA C C 19 178.737 178.737 178.145 0.592 19628 1073 1 4 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.709 0.232 19628 1074 1 4 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.576 -0.579 19628 1075 1 4 . 1 1 20 20 GLY N N 20 107.686 107.686 107.758 -0.072 19628 1076 1 4 . 1 1 20 20 GLY C C 20 173.316 173.316 174.156 -0.840 19628 1077 1 4 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.736 -0.125 19628 1078 1 4 . 1 1 21 21 VAL N N 21 117.897 117.897 125.782 -7.885 19628 1079 1 4 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.920 0.030 19628 1080 1 4 . 1 1 21 21 VAL C C 21 174.804 174.804 175.338 -0.534 19628 1081 1 4 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.685 -0.659 19628 1082 1 4 . 1 1 21 21 VAL CB C 21 32.034 32.034 30.344 1.690 19628 1083 1 4 . 1 1 22 22 GLU N N 22 124.637 124.637 123.735 0.902 19628 1084 1 4 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.132 0.188 19628 1085 1 4 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.184 0.721 19628 1086 1 4 . 1 1 22 22 GLU CB C 22 32.883 32.883 33.719 -0.836 19628 1087 1 4 . 1 1 23 23 PHE N N 23 124.102 124.102 121.512 2.590 19628 1088 1 4 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.790 -0.095 19628 1089 1 4 . 1 1 23 23 PHE C C 23 177.013 177.013 176.479 0.534 19628 1090 1 4 . 1 1 23 23 PHE CA C 23 59.019 59.019 57.242 1.777 19628 1091 1 4 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.975 -0.204 19628 1092 1 4 . 1 1 24 24 ARG N N 24 121.555 121.555 123.940 -2.385 19628 1093 1 4 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.068 -0.200 19628 1094 1 4 . 1 1 24 24 ARG C C 24 176.567 176.567 176.528 0.039 19628 1095 1 4 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.156 1.146 19628 1096 1 4 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.980 -0.125 19628 1097 1 4 . 1 1 25 25 ASP N N 25 116.629 116.629 116.773 -0.144 19628 1098 1 4 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.777 0.014 19628 1099 1 4 . 1 1 25 25 ASP C C 25 177.266 177.266 176.815 0.451 19628 1100 1 4 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.490 -0.682 19628 1101 1 4 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.801 -0.839 19628 1102 1 4 . 1 1 26 26 LEU N N 26 125.814 125.814 126.032 -0.218 19628 1103 1 4 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.244 -0.288 19628 1104 1 4 . 1 1 26 26 LEU C C 26 178.850 178.850 178.148 0.702 19628 1105 1 4 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.696 0.659 19628 1106 1 4 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.507 -0.597 19628 1107 1 4 . 1 1 27 27 SER N N 27 113.793 113.793 112.470 1.323 19628 1108 1 4 . 1 1 27 27 SER HA H 27 4.454 4.454 4.417 0.037 19628 1109 1 4 . 1 1 27 27 SER C C 27 175.696 175.696 175.040 0.656 19628 1110 1 4 . 1 1 27 27 SER CA C 27 60.804 60.804 59.407 1.397 19628 1111 1 4 . 1 1 27 27 SER CB C 27 63.311 63.311 63.165 0.146 19628 1112 1 4 . 1 1 28 28 LYS N N 28 120.122 120.122 120.439 -0.317 19628 1113 1 4 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.418 0.203 19628 1114 1 4 . 1 1 28 28 LYS C C 28 177.281 177.281 175.341 1.940 19628 1115 1 4 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.161 -0.499 19628 1116 1 4 . 1 1 28 28 LYS CB C 28 33.076 33.076 33.260 -0.183 19628 1117 1 4 . 1 1 29 29 VAL N N 29 120.916 120.916 121.292 -0.376 19628 1118 1 4 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.704 0.169 19628 1119 1 4 . 1 1 29 29 VAL CA C 29 63.625 63.625 61.957 1.668 19628 1120 1 4 . 1 1 29 29 VAL CB C 29 32.440 32.440 30.150 2.290 19628 1121 1 4 . 1 1 30 30 GLU N N 30 127.248 127.248 128.566 -1.318 19628 1122 1 4 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.265 0.129 19628 1123 1 4 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.310 -0.884 19628 1124 1 4 . 1 1 30 30 GLU CB C 30 32.178 32.178 29.911 2.267 19628 1125 1 4 . 1 1 31 31 PHE N N 31 126.351 126.351 125.757 0.594 19628 1126 1 4 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.465 0.011 19628 1127 1 4 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.712 -2.279 19628 1128 1 4 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.241 -2.606 19628 1129 1 4 . 1 1 32 32 VAL N N 32 128.354 128.354 122.228 6.126 19628 1130 1 4 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.773 0.094 19628 1131 1 4 . 1 1 32 32 VAL CA C 32 64.020 64.020 64.296 -0.276 19628 1132 1 4 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.205 -0.130 19628 1133 1 4 . 1 1 33 33 GLY N N 33 107.690 107.690 105.299 2.391 19628 1134 1 4 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.555 1.211 19628 1135 1 4 . 1 1 34 34 ALA N N 34 120.706 120.706 121.487 -0.781 19628 1136 1 4 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.767 0.387 19628 1137 1 4 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.015 -2.196 19628 1138 1 4 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.138 0.724 19628 1139 1 4 . 1 1 35 35 TYR N N 35 115.457 115.457 119.850 -4.393 19628 1140 1 4 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.841 0.102 19628 1141 1 4 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.292 1.035 19628 1142 1 4 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.875 1.683 19628 1143 1 4 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.452 0.208 19628 1144 1 4 . 1 1 36 36 PRO C C 36 174.733 174.733 175.774 -1.041 19628 1145 1 4 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.385 0.554 19628 1146 1 4 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.096 0.272 19628 1147 1 4 . 1 1 37 37 SER N N 37 109.883 109.883 112.231 -2.348 19628 1148 1 4 . 1 1 37 37 SER HA H 37 4.819 4.819 4.793 0.026 19628 1149 1 4 . 1 1 37 37 SER C C 37 173.943 173.943 174.366 -0.423 19628 1150 1 4 . 1 1 37 37 SER CA C 37 56.502 56.502 57.353 -0.851 19628 1151 1 4 . 1 1 37 37 SER CB C 37 66.351 66.351 65.731 0.620 19628 1152 1 4 . 1 1 38 38 TYR N N 38 122.819 122.819 125.846 -3.027 19628 1153 1 4 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.137 -1.086 19628 1154 1 4 . 1 1 38 38 TYR C C 38 177.295 177.295 176.523 0.772 19628 1155 1 4 . 1 1 38 38 TYR CA C 38 62.073 62.073 62.318 -0.245 19628 1156 1 4 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.781 -1.117 19628 1157 1 4 . 1 1 39 39 ASP N N 39 116.964 116.964 117.019 -0.055 19628 1158 1 4 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.167 0.054 19628 1159 1 4 . 1 1 39 39 ASP C C 39 179.740 179.740 177.888 1.852 19628 1160 1 4 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.413 0.342 19628 1161 1 4 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.621 0.274 19628 1162 1 4 . 1 1 40 40 GLU N N 40 116.783 116.783 118.444 -1.661 19628 1163 1 4 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.932 0.037 19628 1164 1 4 . 1 1 40 40 GLU C C 40 178.947 178.947 178.300 0.647 19628 1165 1 4 . 1 1 40 40 GLU CA C 40 59.212 59.212 59.087 0.125 19628 1166 1 4 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.822 1.460 19628 1167 1 4 . 1 1 41 41 ALA N N 41 122.522 122.522 122.658 -0.136 19628 1168 1 4 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.203 -1.163 19628 1169 1 4 . 1 1 41 41 ALA C C 41 178.474 178.474 179.360 -0.886 19628 1170 1 4 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.920 -0.805 19628 1171 1 4 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.120 0.428 19628 1172 1 4 . 1 1 42 42 HIS N N 42 118.486 118.486 118.329 0.157 19628 1173 1 4 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.218 -0.368 19628 1174 1 4 . 1 1 42 42 HIS C C 42 177.400 177.400 177.417 -0.017 19628 1175 1 4 . 1 1 42 42 HIS CA C 42 60.187 60.187 59.519 0.668 19628 1176 1 4 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.887 0.112 19628 1177 1 4 . 1 1 43 43 LYS N N 43 118.483 118.483 118.842 -0.359 19628 1178 1 4 . 1 1 43 43 LYS HA H 43 3.855 3.855 3.948 -0.093 19628 1179 1 4 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.858 2.227 19628 1180 1 4 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.041 0.655 19628 1181 1 4 . 1 1 44 44 ALA N N 44 121.891 121.891 122.333 -0.442 19628 1182 1 4 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.012 -0.045 19628 1183 1 4 . 1 1 44 44 ALA C C 44 180.412 180.412 178.741 1.671 19628 1184 1 4 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.837 -0.133 19628 1185 1 4 . 1 1 44 44 ALA CB C 44 19.059 19.059 18.077 0.982 19628 1186 1 4 . 1 1 45 45 TRP N N 45 119.065 119.065 120.151 -1.086 19628 1187 1 4 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.205 -0.771 19628 1188 1 4 . 1 1 45 45 TRP C C 45 176.748 176.748 177.369 -0.621 19628 1189 1 4 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.509 1.031 19628 1190 1 4 . 1 1 45 45 TRP CB C 45 29.142 29.142 28.992 0.150 19628 1191 1 4 . 1 1 46 46 LYS N N 46 119.011 119.011 118.318 0.693 19628 1192 1 4 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.138 -0.195 19628 1193 1 4 . 1 1 46 46 LYS C C 46 178.523 178.523 178.099 0.424 19628 1194 1 4 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.092 1.195 19628 1195 1 4 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.179 1.358 19628 1196 1 4 . 1 1 47 47 ALA N N 47 118.189 118.189 122.250 -4.061 19628 1197 1 4 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.964 -0.004 19628 1198 1 4 . 1 1 47 47 ALA C C 47 180.604 180.604 179.911 0.693 19628 1199 1 4 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.020 -0.817 19628 1200 1 4 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.143 0.024 19628 1201 1 4 . 1 1 48 48 LYS N N 48 116.778 116.778 117.970 -1.192 19628 1202 1 4 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.964 -0.204 19628 1203 1 4 . 1 1 48 48 LYS C C 48 178.378 178.378 178.706 -0.328 19628 1204 1 4 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.782 -1.845 19628 1205 1 4 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.179 -1.770 19628 1206 1 4 . 1 1 49 49 ALA N N 49 121.343 121.343 122.881 -1.538 19628 1207 1 4 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.001 -0.241 19628 1208 1 4 . 1 1 49 49 ALA C C 49 180.075 180.075 180.566 -0.491 19628 1209 1 4 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.693 -0.616 19628 1210 1 4 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.061 -0.439 19628 1211 1 4 . 1 1 50 50 GLN N N 50 114.507 114.507 118.111 -3.604 19628 1212 1 4 . 1 1 50 50 GLN HA H 50 4.119 4.119 3.942 0.177 19628 1213 1 4 . 1 1 50 50 GLN C C 50 176.838 176.838 178.251 -1.413 19628 1214 1 4 . 1 1 50 50 GLN CA C 50 56.643 56.643 58.328 -1.685 19628 1215 1 4 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.607 0.203 19628 1216 1 4 . 1 1 51 51 ALA N N 51 121.078 121.078 120.226 0.852 19628 1217 1 4 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.196 0.182 19628 1218 1 4 . 1 1 51 51 ALA C C 51 178.394 178.394 177.814 0.580 19628 1219 1 4 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.852 -1.029 19628 1220 1 4 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.506 0.849 19628 1221 1 4 . 1 1 52 52 THR N N 52 111.735 111.735 107.630 4.105 19628 1222 1 4 . 1 1 52 52 THR HA H 52 4.443 4.443 4.515 -0.072 19628 1223 1 4 . 1 1 52 52 THR C C 52 175.345 175.345 175.067 0.278 19628 1224 1 4 . 1 1 52 52 THR CA C 52 61.884 61.884 60.285 1.599 19628 1225 1 4 . 1 1 52 52 THR CB C 52 69.455 69.455 69.633 -0.178 19628 1226 1 4 . 1 1 53 53 VAL N N 53 120.702 120.702 121.007 -0.305 19628 1227 1 4 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.784 0.351 19628 1228 1 4 . 1 1 53 53 VAL C C 53 176.425 176.425 176.707 -0.282 19628 1229 1 4 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.340 -1.335 19628 1230 1 4 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.763 0.960 19628 1231 1 4 . 1 1 54 54 ASP N N 54 120.122 120.122 118.782 1.340 19628 1232 1 4 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.451 0.155 19628 1233 1 4 . 1 1 54 54 ASP C C 54 176.471 176.471 175.890 0.581 19628 1234 1 4 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.103 -0.363 19628 1235 1 4 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.096 0.062 19628 1236 1 4 . 1 1 55 55 ASN N N 55 117.542 117.542 117.693 -0.151 19628 1237 1 4 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.697 0.070 19628 1238 1 4 . 1 1 55 55 ASN C C 55 175.457 175.457 176.238 -0.781 19628 1239 1 4 . 1 1 55 55 ASN CA C 55 53.082 53.082 52.658 0.424 19628 1240 1 4 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.393 -0.693 19628 1241 1 4 . 1 1 56 56 ALA N N 56 122.962 122.962 130.277 -7.315 19628 1242 1 4 . 1 1 56 56 ALA HA H 56 4.307 4.307 3.946 0.361 19628 1243 1 4 . 1 1 56 56 ALA C C 56 178.144 178.144 177.761 0.383 19628 1244 1 4 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.328 -1.139 19628 1245 1 4 . 1 1 56 56 ALA CB C 56 19.270 19.270 18.816 0.455 19628 1246 1 4 . 1 1 57 57 HIS N N 57 114.258 114.258 115.624 -1.366 19628 1247 1 4 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.694 0.024 19628 1248 1 4 . 1 1 57 57 HIS C C 57 174.283 174.283 174.231 0.052 19628 1249 1 4 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.724 0.814 19628 1250 1 4 . 1 1 57 57 HIS CB C 57 29.348 29.348 29.431 -0.083 19628 1251 1 4 . 1 1 58 58 ALA N N 58 122.364 122.364 123.843 -1.479 19628 1252 1 4 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.707 -0.406 19628 1253 1 4 . 1 1 58 58 ALA C C 58 176.549 176.549 177.155 -0.606 19628 1254 1 4 . 1 1 58 58 ALA CA C 58 52.249 52.249 52.188 0.061 19628 1255 1 4 . 1 1 58 58 ALA CB C 58 19.898 19.898 19.383 0.515 19628 1256 1 4 . 1 1 59 59 ARG N N 59 120.664 120.664 125.369 -4.705 19628 1257 1 4 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.653 -0.076 19628 1258 1 4 . 1 1 59 59 ARG C C 59 174.047 174.047 174.196 -0.149 19628 1259 1 4 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.898 -0.939 19628 1260 1 4 . 1 1 59 59 ARG CB C 59 34.241 34.241 32.293 1.948 19628 1261 1 4 . 1 1 60 60 TYR N N 60 117.222 117.222 123.397 -6.175 19628 1262 1 4 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.675 0.728 19628 1263 1 4 . 1 1 60 60 TYR C C 60 176.206 176.206 174.656 1.550 19628 1264 1 4 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.022 -0.766 19628 1265 1 4 . 1 1 60 60 TYR CB C 60 42.214 42.214 38.845 3.369 19628 1266 1 4 . 1 1 61 61 PHE N N 61 117.727 117.727 121.742 -4.015 19628 1267 1 4 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.153 0.141 19628 1268 1 4 . 1 1 61 61 PHE C C 61 174.358 174.358 174.358 0.000 19628 1269 1 4 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.989 0.135 19628 1270 1 4 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.790 3.029 19628 1271 1 4 . 1 1 62 62 ILE N N 62 118.711 118.711 118.688 0.023 19628 1272 1 4 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.811 0.303 19628 1273 1 4 . 1 1 62 62 ILE C C 62 174.937 174.937 174.979 -0.042 19628 1274 1 4 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.253 0.372 19628 1275 1 4 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.786 -0.612 19628 1276 1 4 . 1 1 63 63 ILE N N 63 125.236 125.236 122.366 2.870 19628 1277 1 4 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.376 0.356 19628 1278 1 4 . 1 1 63 63 ILE C C 63 176.218 176.218 174.521 1.697 19628 1279 1 4 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.528 0.293 19628 1280 1 4 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.738 -0.197 19628 1281 1 4 . 1 1 64 64 HIS N N 64 127.707 127.707 119.974 7.733 19628 1282 1 4 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.365 0.188 19628 1283 1 4 . 1 1 64 64 HIS C C 64 174.365 174.365 174.914 -0.549 19628 1284 1 4 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.154 -1.615 19628 1285 1 4 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.824 1.941 19628 1286 1 4 . 1 1 65 65 ALA N N 65 131.873 131.873 127.761 4.112 19628 1287 1 4 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.514 0.041 19628 1288 1 4 . 1 1 65 65 ALA C C 65 174.433 174.433 176.372 -1.939 19628 1289 1 4 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.920 -1.546 19628 1290 1 4 . 1 1 65 65 ALA CB C 65 18.767 18.767 18.786 -0.019 19628 1291 1 4 . 1 1 66 66 HIS N N 66 120.753 120.753 116.613 4.140 19628 1292 1 4 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.503 -0.332 19628 1293 1 4 . 1 1 66 66 HIS C C 66 175.249 175.249 175.289 -0.040 19628 1294 1 4 . 1 1 66 66 HIS CA C 66 57.499 57.499 57.303 0.196 19628 1295 1 4 . 1 1 66 66 HIS CB C 66 30.570 30.570 29.904 0.666 19628 1296 1 4 . 1 1 67 67 LYS N N 67 117.601 117.601 120.889 -3.288 19628 1297 1 4 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.504 -0.077 19628 1298 1 4 . 1 1 67 67 LYS C C 67 174.799 174.799 175.599 -0.800 19628 1299 1 4 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.528 -0.460 19628 1300 1 4 . 1 1 67 67 LYS CB C 67 34.784 34.784 32.718 2.066 19628 1301 1 4 . 1 1 68 68 LEU N N 68 127.238 127.238 126.151 1.087 19628 1302 1 4 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.581 -0.134 19628 1303 1 4 . 1 1 68 68 LEU C C 68 175.878 175.878 176.730 -0.852 19628 1304 1 4 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.833 0.630 19628 1305 1 4 . 1 1 68 68 LEU CB C 68 41.572 41.572 43.176 -1.604 19628 1306 1 4 . 1 1 69 69 LEU N N 69 123.968 123.968 125.551 -1.583 19628 1307 1 4 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.258 0.257 19628 1308 1 4 . 1 1 69 69 LEU C C 69 176.630 176.630 176.805 -0.175 19628 1309 1 4 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.902 0.302 19628 1310 1 4 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.655 0.577 19628 1311 1 4 . 1 1 70 70 ASP N N 70 122.630 122.630 127.025 -4.395 19628 1312 1 4 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.946 0.291 19628 1313 1 4 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.169 -1.180 19628 1314 1 4 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.167 0.335 19628 1315 1 4 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.408 -0.101 19628 1316 1 4 . 1 1 71 71 PRO C C 71 177.095 177.095 177.718 -0.623 19628 1317 1 4 . 1 1 71 71 PRO CA C 71 62.552 62.552 64.130 -1.578 19628 1318 1 4 . 1 1 71 71 PRO CB C 71 30.961 30.961 31.836 -0.875 19628 1319 1 4 . 1 1 72 72 SER N N 72 114.226 114.226 113.125 1.101 19628 1320 1 4 . 1 1 72 72 SER HA H 72 4.455 4.455 4.245 0.210 19628 1321 1 4 . 1 1 72 72 SER C C 72 175.162 175.162 175.148 0.014 19628 1322 1 4 . 1 1 72 72 SER CA C 72 60.232 60.232 60.656 -0.424 19628 1323 1 4 . 1 1 72 72 SER CB C 72 63.899 63.899 63.227 0.671 19628 1324 1 4 . 1 1 73 73 GLU N N 73 121.971 121.971 118.688 3.283 19628 1325 1 4 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.514 -0.106 19628 1326 1 4 . 1 1 73 73 GLU C C 73 176.312 176.312 176.443 -0.131 19628 1327 1 4 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.566 0.048 19628 1328 1 4 . 1 1 73 73 GLU CB C 73 30.879 30.879 32.142 -1.263 19628 1329 1 5 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.664 -0.128 19628 1330 1 5 . 1 1 2 2 PRO C C 2 176.988 176.988 176.297 0.691 19628 1331 1 5 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.634 0.698 19628 1332 1 5 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.135 0.106 19628 1333 1 5 . 1 1 3 3 ASP N N 3 120.121 120.121 120.948 -0.827 19628 1334 1 5 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.644 -0.018 19628 1335 1 5 . 1 1 3 3 ASP C C 3 176.550 176.550 175.807 0.743 19628 1336 1 5 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.906 0.678 19628 1337 1 5 . 1 1 3 3 ASP CB C 3 41.274 41.274 41.608 -0.334 19628 1338 1 5 . 1 1 4 4 LYS N N 4 120.298 120.298 121.761 -1.463 19628 1339 1 5 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.549 -0.098 19628 1340 1 5 . 1 1 4 4 LYS C C 4 176.439 176.439 176.631 -0.192 19628 1341 1 5 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.733 0.175 19628 1342 1 5 . 1 1 4 4 LYS CB C 4 33.819 33.819 33.928 -0.109 19628 1343 1 5 . 1 1 5 5 GLN N N 5 122.085 122.085 122.195 -0.110 19628 1344 1 5 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.203 0.260 19628 1345 1 5 . 1 1 5 5 GLN C C 5 175.305 175.305 176.507 -1.202 19628 1346 1 5 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.040 0.277 19628 1347 1 5 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.888 1.580 19628 1348 1 5 . 1 1 6 6 LEU N N 6 127.607 127.607 122.071 5.536 19628 1349 1 5 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.236 0.537 19628 1350 1 5 . 1 1 6 6 LEU C C 6 176.477 176.477 176.063 0.414 19628 1351 1 5 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.302 -1.233 19628 1352 1 5 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.190 0.351 19628 1353 1 5 . 1 1 7 7 LEU N N 7 124.306 124.306 122.508 1.798 19628 1354 1 5 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.710 -0.123 19628 1355 1 5 . 1 1 7 7 LEU C C 7 176.499 176.499 175.382 1.117 19628 1356 1 5 . 1 1 7 7 LEU CA C 7 57.062 57.062 52.628 4.434 19628 1357 1 5 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.466 -0.900 19628 1358 1 5 . 1 1 8 8 HIS N N 8 124.882 124.882 119.275 5.607 19628 1359 1 5 . 1 1 8 8 HIS HA H 8 5.791 5.791 4.976 0.815 19628 1360 1 5 . 1 1 8 8 HIS CA C 8 55.301 55.301 54.853 0.448 19628 1361 1 5 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.873 4.666 19628 1362 1 5 . 1 1 9 9 ILE N N 9 119.723 119.723 120.122 -0.399 19628 1363 1 5 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.241 1.318 19628 1364 1 5 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.945 -2.935 19628 1365 1 5 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.758 3.842 19628 1366 1 5 . 1 1 10 10 VAL N N 10 124.236 124.236 116.260 7.976 19628 1367 1 5 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.803 0.778 19628 1368 1 5 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.665 0.629 19628 1369 1 5 . 1 1 10 10 VAL CB C 10 34.158 34.158 34.071 0.087 19628 1370 1 5 . 1 1 11 11 VAL N N 11 119.677 119.677 123.241 -3.564 19628 1371 1 5 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.545 1.198 19628 1372 1 5 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.871 -1.781 19628 1373 1 5 . 1 1 11 11 VAL CB C 11 36.591 36.591 34.970 1.621 19628 1374 1 5 . 1 1 12 12 GLY N N 12 107.410 107.410 112.258 -4.848 19628 1375 1 5 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.262 2.305 19628 1376 1 5 . 1 1 13 13 GLY N N 13 103.550 103.550 106.043 -2.493 19628 1377 1 5 . 1 1 13 13 GLY C C 13 172.290 172.290 172.566 -0.276 19628 1378 1 5 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.351 0.670 19628 1379 1 5 . 1 1 14 14 GLU N N 14 118.735 118.735 121.041 -2.306 19628 1380 1 5 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.493 0.114 19628 1381 1 5 . 1 1 14 14 GLU C C 14 177.819 177.819 176.278 1.541 19628 1382 1 5 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.559 -0.071 19628 1383 1 5 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.007 0.994 19628 1384 1 5 . 1 1 15 15 LEU N N 15 125.767 125.767 125.770 -0.003 19628 1385 1 5 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.535 0.337 19628 1386 1 5 . 1 1 15 15 LEU C C 15 178.742 178.742 177.549 1.193 19628 1387 1 5 . 1 1 15 15 LEU CA C 15 54.321 54.321 54.444 -0.123 19628 1388 1 5 . 1 1 15 15 LEU CB C 15 42.981 42.981 42.623 0.357 19628 1389 1 5 . 1 1 16 16 LYS N N 16 120.328 120.328 118.005 2.323 19628 1390 1 5 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.162 -0.005 19628 1391 1 5 . 1 1 16 16 LYS CA C 16 57.359 57.359 57.930 -0.571 19628 1392 1 5 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.269 1.605 19628 1393 1 5 . 1 1 17 17 ASP N N 17 121.541 121.541 115.326 6.215 19628 1394 1 5 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.055 0.809 19628 1395 1 5 . 1 1 17 17 ASP CA C 17 53.484 53.484 51.984 1.500 19628 1396 1 5 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.685 -2.777 19628 1397 1 5 . 1 1 18 18 VAL N N 18 117.413 117.413 116.860 0.553 19628 1398 1 5 . 1 1 18 18 VAL HA H 18 4.333 4.333 4.002 0.331 19628 1399 1 5 . 1 1 18 18 VAL C C 18 175.600 175.600 176.634 -1.034 19628 1400 1 5 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.918 -3.829 19628 1401 1 5 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.977 2.277 19628 1402 1 5 . 1 1 19 19 ALA N N 19 122.852 122.852 121.288 1.564 19628 1403 1 5 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.490 -0.097 19628 1404 1 5 . 1 1 19 19 ALA C C 19 178.737 178.737 178.447 0.290 19628 1405 1 5 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.699 0.242 19628 1406 1 5 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.898 -0.901 19628 1407 1 5 . 1 1 20 20 GLY N N 20 107.686 107.686 107.729 -0.043 19628 1408 1 5 . 1 1 20 20 GLY C C 20 173.316 173.316 174.904 -1.588 19628 1409 1 5 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.965 -0.354 19628 1410 1 5 . 1 1 21 21 VAL N N 21 117.897 117.897 124.635 -6.738 19628 1411 1 5 . 1 1 21 21 VAL HA H 21 3.950 3.950 4.009 -0.059 19628 1412 1 5 . 1 1 21 21 VAL C C 21 174.804 174.804 174.848 -0.044 19628 1413 1 5 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.355 0.672 19628 1414 1 5 . 1 1 21 21 VAL CB C 21 32.034 32.034 31.440 0.594 19628 1415 1 5 . 1 1 22 22 GLU N N 22 124.637 124.637 121.211 3.426 19628 1416 1 5 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.203 0.117 19628 1417 1 5 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.380 0.525 19628 1418 1 5 . 1 1 22 22 GLU CB C 22 32.883 32.883 29.552 3.331 19628 1419 1 5 . 1 1 23 23 PHE N N 23 124.102 124.102 124.860 -0.758 19628 1420 1 5 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.376 0.319 19628 1421 1 5 . 1 1 23 23 PHE C C 23 177.013 177.013 176.228 0.785 19628 1422 1 5 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.397 0.622 19628 1423 1 5 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.557 0.214 19628 1424 1 5 . 1 1 24 24 ARG N N 24 121.555 121.555 124.428 -2.873 19628 1425 1 5 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.090 -0.222 19628 1426 1 5 . 1 1 24 24 ARG C C 24 176.567 176.567 176.739 -0.172 19628 1427 1 5 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.674 0.628 19628 1428 1 5 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.850 0.005 19628 1429 1 5 . 1 1 25 25 ASP N N 25 116.629 116.629 118.283 -1.654 19628 1430 1 5 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.928 -0.137 19628 1431 1 5 . 1 1 25 25 ASP C C 25 177.266 177.266 176.249 1.017 19628 1432 1 5 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.614 -0.806 19628 1433 1 5 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.763 -0.800 19628 1434 1 5 . 1 1 26 26 LEU N N 26 125.814 125.814 124.382 1.432 19628 1435 1 5 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.181 -0.225 19628 1436 1 5 . 1 1 26 26 LEU C C 26 178.850 178.850 178.579 0.271 19628 1437 1 5 . 1 1 26 26 LEU CA C 26 57.354 57.354 57.146 0.208 19628 1438 1 5 . 1 1 26 26 LEU CB C 26 40.910 40.910 42.089 -1.179 19628 1439 1 5 . 1 1 27 27 SER N N 27 113.793 113.793 113.997 -0.204 19628 1440 1 5 . 1 1 27 27 SER HA H 27 4.454 4.454 4.347 0.107 19628 1441 1 5 . 1 1 27 27 SER C C 27 175.696 175.696 174.900 0.796 19628 1442 1 5 . 1 1 27 27 SER CA C 27 60.804 60.804 60.160 0.644 19628 1443 1 5 . 1 1 27 27 SER CB C 27 63.311 63.311 62.643 0.668 19628 1444 1 5 . 1 1 28 28 LYS N N 28 120.122 120.122 119.846 0.276 19628 1445 1 5 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.604 0.017 19628 1446 1 5 . 1 1 28 28 LYS C C 28 177.281 177.281 174.928 2.353 19628 1447 1 5 . 1 1 28 28 LYS CA C 28 54.663 54.663 54.401 0.262 19628 1448 1 5 . 1 1 28 28 LYS CB C 28 33.076 33.076 33.240 -0.164 19628 1449 1 5 . 1 1 29 29 VAL N N 29 120.916 120.916 118.516 2.400 19628 1450 1 5 . 1 1 29 29 VAL HA H 29 3.873 3.873 4.148 -0.275 19628 1451 1 5 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.465 3.160 19628 1452 1 5 . 1 1 29 29 VAL CB C 29 32.440 32.440 30.971 1.470 19628 1453 1 5 . 1 1 30 30 GLU N N 30 127.248 127.248 128.253 -1.005 19628 1454 1 5 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.500 -0.106 19628 1455 1 5 . 1 1 30 30 GLU CA C 30 54.427 54.427 54.701 -0.274 19628 1456 1 5 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.521 1.657 19628 1457 1 5 . 1 1 31 31 PHE N N 31 126.351 126.351 126.086 0.265 19628 1458 1 5 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.473 0.003 19628 1459 1 5 . 1 1 31 31 PHE CA C 31 56.433 56.433 59.149 -2.716 19628 1460 1 5 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.616 -2.981 19628 1461 1 5 . 1 1 32 32 VAL N N 32 128.354 128.354 124.452 3.902 19628 1462 1 5 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.892 -0.025 19628 1463 1 5 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.813 0.207 19628 1464 1 5 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.214 -0.140 19628 1465 1 5 . 1 1 33 33 GLY N N 33 107.690 107.690 105.911 1.779 19628 1466 1 5 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.696 1.070 19628 1467 1 5 . 1 1 34 34 ALA N N 34 120.706 120.706 122.444 -1.738 19628 1468 1 5 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.847 0.307 19628 1469 1 5 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.273 -2.454 19628 1470 1 5 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.019 0.843 19628 1471 1 5 . 1 1 35 35 TYR N N 35 115.457 115.457 121.031 -5.574 19628 1472 1 5 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.866 0.077 19628 1473 1 5 . 1 1 35 35 TYR CA C 35 56.327 56.327 54.972 1.355 19628 1474 1 5 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.065 2.493 19628 1475 1 5 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.403 0.257 19628 1476 1 5 . 1 1 36 36 PRO C C 36 174.733 174.733 175.682 -0.949 19628 1477 1 5 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.695 0.244 19628 1478 1 5 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.284 0.083 19628 1479 1 5 . 1 1 37 37 SER N N 37 109.883 109.883 112.262 -2.379 19628 1480 1 5 . 1 1 37 37 SER HA H 37 4.819 4.819 4.711 0.108 19628 1481 1 5 . 1 1 37 37 SER C C 37 173.943 173.943 174.373 -0.430 19628 1482 1 5 . 1 1 37 37 SER CA C 37 56.502 56.502 56.927 -0.425 19628 1483 1 5 . 1 1 37 37 SER CB C 37 66.351 66.351 66.004 0.347 19628 1484 1 5 . 1 1 38 38 TYR N N 38 122.819 122.819 126.288 -3.469 19628 1485 1 5 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.252 -1.201 19628 1486 1 5 . 1 1 38 38 TYR C C 38 177.295 177.295 177.009 0.286 19628 1487 1 5 . 1 1 38 38 TYR CA C 38 62.073 62.073 60.789 1.284 19628 1488 1 5 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.405 -0.741 19628 1489 1 5 . 1 1 39 39 ASP N N 39 116.964 116.964 118.004 -1.040 19628 1490 1 5 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.138 0.083 19628 1491 1 5 . 1 1 39 39 ASP C C 39 179.740 179.740 178.341 1.399 19628 1492 1 5 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.804 -0.050 19628 1493 1 5 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.420 0.475 19628 1494 1 5 . 1 1 40 40 GLU N N 40 116.783 116.783 118.331 -1.548 19628 1495 1 5 . 1 1 40 40 GLU HA H 40 3.969 3.969 4.020 -0.051 19628 1496 1 5 . 1 1 40 40 GLU C C 40 178.947 178.947 178.414 0.533 19628 1497 1 5 . 1 1 40 40 GLU CA C 40 59.212 59.212 59.014 0.198 19628 1498 1 5 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.969 1.313 19628 1499 1 5 . 1 1 41 41 ALA N N 41 122.522 122.522 122.308 0.214 19628 1500 1 5 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.021 -0.981 19628 1501 1 5 . 1 1 41 41 ALA C C 41 178.474 178.474 179.346 -0.872 19628 1502 1 5 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.695 -0.580 19628 1503 1 5 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.291 0.257 19628 1504 1 5 . 1 1 42 42 HIS N N 42 118.486 118.486 116.981 1.505 19628 1505 1 5 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.297 -0.447 19628 1506 1 5 . 1 1 42 42 HIS C C 42 177.400 177.400 177.088 0.312 19628 1507 1 5 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.219 1.968 19628 1508 1 5 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.620 0.379 19628 1509 1 5 . 1 1 43 43 LYS N N 43 118.483 118.483 119.050 -0.567 19628 1510 1 5 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.227 -0.372 19628 1511 1 5 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.190 2.894 19628 1512 1 5 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.209 0.487 19628 1513 1 5 . 1 1 44 44 ALA N N 44 121.891 121.891 123.091 -1.200 19628 1514 1 5 . 1 1 44 44 ALA HA H 44 3.967 3.967 3.993 -0.026 19628 1515 1 5 . 1 1 44 44 ALA C C 44 180.412 180.412 178.627 1.785 19628 1516 1 5 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.993 -0.288 19628 1517 1 5 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.916 1.143 19628 1518 1 5 . 1 1 45 45 TRP N N 45 119.065 119.065 119.970 -0.905 19628 1519 1 5 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.243 -0.809 19628 1520 1 5 . 1 1 45 45 TRP C C 45 176.748 176.748 177.485 -0.737 19628 1521 1 5 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.574 0.966 19628 1522 1 5 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.065 0.077 19628 1523 1 5 . 1 1 46 46 LYS N N 46 119.011 119.011 118.683 0.328 19628 1524 1 5 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.061 -0.118 19628 1525 1 5 . 1 1 46 46 LYS C C 46 178.523 178.523 178.084 0.439 19628 1526 1 5 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.558 0.729 19628 1527 1 5 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.340 1.196 19628 1528 1 5 . 1 1 47 47 ALA N N 47 118.189 118.189 121.967 -3.778 19628 1529 1 5 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.989 -0.029 19628 1530 1 5 . 1 1 47 47 ALA C C 47 180.604 180.604 179.705 0.899 19628 1531 1 5 . 1 1 47 47 ALA CA C 47 54.203 54.203 54.883 -0.680 19628 1532 1 5 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.118 0.049 19628 1533 1 5 . 1 1 48 48 LYS N N 48 116.778 116.778 117.283 -0.505 19628 1534 1 5 . 1 1 48 48 LYS HA H 48 3.760 3.760 4.023 -0.263 19628 1535 1 5 . 1 1 48 48 LYS C C 48 178.378 178.378 178.534 -0.156 19628 1536 1 5 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.810 -1.873 19628 1537 1 5 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.294 -1.885 19628 1538 1 5 . 1 1 49 49 ALA N N 49 121.343 121.343 122.989 -1.646 19628 1539 1 5 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.106 -0.346 19628 1540 1 5 . 1 1 49 49 ALA C C 49 180.075 180.075 180.338 -0.263 19628 1541 1 5 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.780 -0.703 19628 1542 1 5 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.208 -0.586 19628 1543 1 5 . 1 1 50 50 GLN N N 50 114.507 114.507 116.847 -2.340 19628 1544 1 5 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.031 0.088 19628 1545 1 5 . 1 1 50 50 GLN C C 50 176.838 176.838 178.046 -1.208 19628 1546 1 5 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.873 -1.230 19628 1547 1 5 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.654 0.155 19628 1548 1 5 . 1 1 51 51 ALA N N 51 121.078 121.078 121.437 -0.359 19628 1549 1 5 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.163 0.215 19628 1550 1 5 . 1 1 51 51 ALA C C 51 178.394 178.394 178.311 0.083 19628 1551 1 5 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.751 -0.928 19628 1552 1 5 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.852 0.503 19628 1553 1 5 . 1 1 52 52 THR N N 52 111.735 111.735 110.219 1.516 19628 1554 1 5 . 1 1 52 52 THR HA H 52 4.443 4.443 4.501 -0.058 19628 1555 1 5 . 1 1 52 52 THR C C 52 175.345 175.345 174.666 0.679 19628 1556 1 5 . 1 1 52 52 THR CA C 52 61.884 61.884 60.493 1.391 19628 1557 1 5 . 1 1 52 52 THR CB C 52 69.455 69.455 68.273 1.182 19628 1558 1 5 . 1 1 53 53 VAL N N 53 120.702 120.702 120.441 0.261 19628 1559 1 5 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.817 0.318 19628 1560 1 5 . 1 1 53 53 VAL C C 53 176.425 176.425 176.683 -0.258 19628 1561 1 5 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.160 -1.155 19628 1562 1 5 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.913 0.810 19628 1563 1 5 . 1 1 54 54 ASP N N 54 120.122 120.122 119.426 0.696 19628 1564 1 5 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.440 0.166 19628 1565 1 5 . 1 1 54 54 ASP C C 54 176.471 176.471 175.984 0.487 19628 1566 1 5 . 1 1 54 54 ASP CA C 54 54.740 54.740 56.127 -1.387 19628 1567 1 5 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.876 0.282 19628 1568 1 5 . 1 1 55 55 ASN N N 55 117.542 117.542 116.189 1.353 19628 1569 1 5 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.840 -0.073 19628 1570 1 5 . 1 1 55 55 ASN C C 55 175.457 175.457 174.513 0.944 19628 1571 1 5 . 1 1 55 55 ASN CA C 55 53.082 53.082 52.796 0.286 19628 1572 1 5 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.761 -1.061 19628 1573 1 5 . 1 1 56 56 ALA N N 56 122.962 122.962 124.204 -1.242 19628 1574 1 5 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.138 0.169 19628 1575 1 5 . 1 1 56 56 ALA C C 56 178.144 178.144 177.777 0.367 19628 1576 1 5 . 1 1 56 56 ALA CA C 56 53.189 53.189 53.545 -0.356 19628 1577 1 5 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.422 -0.152 19628 1578 1 5 . 1 1 57 57 HIS N N 57 114.258 114.258 116.191 -1.933 19628 1579 1 5 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.778 -0.060 19628 1580 1 5 . 1 1 57 57 HIS C C 57 174.283 174.283 174.548 -0.265 19628 1581 1 5 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.376 1.162 19628 1582 1 5 . 1 1 57 57 HIS CB C 57 29.348 29.348 30.557 -1.209 19628 1583 1 5 . 1 1 58 58 ALA N N 58 122.364 122.364 124.744 -2.380 19628 1584 1 5 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.601 -0.300 19628 1585 1 5 . 1 1 58 58 ALA C C 58 176.549 176.549 176.868 -0.319 19628 1586 1 5 . 1 1 58 58 ALA CA C 58 52.249 52.249 52.221 0.028 19628 1587 1 5 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.035 1.863 19628 1588 1 5 . 1 1 59 59 ARG N N 59 120.664 120.664 125.144 -4.480 19628 1589 1 5 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.594 -0.017 19628 1590 1 5 . 1 1 59 59 ARG C C 59 174.047 174.047 174.517 -0.470 19628 1591 1 5 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.410 -0.451 19628 1592 1 5 . 1 1 59 59 ARG CB C 59 34.241 34.241 32.559 1.682 19628 1593 1 5 . 1 1 60 60 TYR N N 60 117.222 117.222 124.076 -6.854 19628 1594 1 5 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.541 0.862 19628 1595 1 5 . 1 1 60 60 TYR C C 60 176.206 176.206 174.680 1.526 19628 1596 1 5 . 1 1 60 60 TYR CA C 60 57.256 57.256 57.883 -0.627 19628 1597 1 5 . 1 1 60 60 TYR CB C 60 42.214 42.214 39.484 2.730 19628 1598 1 5 . 1 1 61 61 PHE N N 61 117.727 117.727 121.188 -3.461 19628 1599 1 5 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.276 0.018 19628 1600 1 5 . 1 1 61 61 PHE C C 61 174.358 174.358 175.143 -0.785 19628 1601 1 5 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.471 0.652 19628 1602 1 5 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.671 3.148 19628 1603 1 5 . 1 1 62 62 ILE N N 62 118.711 118.711 117.991 0.720 19628 1604 1 5 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.675 0.439 19628 1605 1 5 . 1 1 62 62 ILE C C 62 174.937 174.937 175.110 -0.173 19628 1606 1 5 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.467 0.158 19628 1607 1 5 . 1 1 62 62 ILE CB C 62 41.174 41.174 40.942 0.232 19628 1608 1 5 . 1 1 63 63 ILE N N 63 125.236 125.236 123.121 2.115 19628 1609 1 5 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.374 0.358 19628 1610 1 5 . 1 1 63 63 ILE C C 63 176.218 176.218 174.629 1.589 19628 1611 1 5 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.670 0.151 19628 1612 1 5 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.304 0.237 19628 1613 1 5 . 1 1 64 64 HIS N N 64 127.707 127.707 122.972 4.735 19628 1614 1 5 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.280 0.273 19628 1615 1 5 . 1 1 64 64 HIS C C 64 174.365 174.365 174.806 -0.441 19628 1616 1 5 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.613 -2.074 19628 1617 1 5 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.436 2.329 19628 1618 1 5 . 1 1 65 65 ALA N N 65 131.873 131.873 128.249 3.624 19628 1619 1 5 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.510 0.045 19628 1620 1 5 . 1 1 65 65 ALA C C 65 174.433 174.433 176.307 -1.874 19628 1621 1 5 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.425 -1.051 19628 1622 1 5 . 1 1 65 65 ALA CB C 65 18.767 18.767 18.969 -0.202 19628 1623 1 5 . 1 1 66 66 HIS N N 66 120.753 120.753 118.834 1.919 19628 1624 1 5 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.452 -0.281 19628 1625 1 5 . 1 1 66 66 HIS C C 66 175.249 175.249 175.499 -0.250 19628 1626 1 5 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.915 -1.416 19628 1627 1 5 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.328 0.242 19628 1628 1 5 . 1 1 67 67 LYS N N 67 117.601 117.601 120.803 -3.202 19628 1629 1 5 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.435 -0.008 19628 1630 1 5 . 1 1 67 67 LYS C C 67 174.799 174.799 175.565 -0.766 19628 1631 1 5 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.312 -0.244 19628 1632 1 5 . 1 1 67 67 LYS CB C 67 34.784 34.784 32.492 2.292 19628 1633 1 5 . 1 1 68 68 LEU N N 68 127.238 127.238 125.694 1.544 19628 1634 1 5 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.389 0.058 19628 1635 1 5 . 1 1 68 68 LEU C C 68 175.878 175.878 177.047 -1.169 19628 1636 1 5 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.715 0.748 19628 1637 1 5 . 1 1 68 68 LEU CB C 68 41.572 41.572 41.574 -0.002 19628 1638 1 5 . 1 1 69 69 LEU N N 69 123.968 123.968 125.615 -1.647 19628 1639 1 5 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.268 0.247 19628 1640 1 5 . 1 1 69 69 LEU C C 69 176.630 176.630 176.663 -0.033 19628 1641 1 5 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.852 0.352 19628 1642 1 5 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.176 1.056 19628 1643 1 5 . 1 1 70 70 ASP N N 70 122.630 122.630 125.786 -3.156 19628 1644 1 5 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.831 0.406 19628 1645 1 5 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.919 -1.930 19628 1646 1 5 . 1 1 70 70 ASP CB C 70 42.502 42.502 41.499 1.003 19628 1647 1 5 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.500 -0.193 19628 1648 1 5 . 1 1 71 71 PRO C C 71 177.095 177.095 176.872 0.223 19628 1649 1 5 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.144 -0.592 19628 1650 1 5 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.313 -1.352 19628 1651 1 5 . 1 1 72 72 SER N N 72 114.226 114.226 114.266 -0.040 19628 1652 1 5 . 1 1 72 72 SER HA H 72 4.455 4.455 4.320 0.135 19628 1653 1 5 . 1 1 72 72 SER C C 72 175.162 175.162 174.874 0.288 19628 1654 1 5 . 1 1 72 72 SER CA C 72 60.232 60.232 60.035 0.197 19628 1655 1 5 . 1 1 72 72 SER CB C 72 63.899 63.899 63.519 0.380 19628 1656 1 5 . 1 1 73 73 GLU N N 73 121.971 121.971 120.575 1.396 19628 1657 1 5 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.520 -0.112 19628 1658 1 5 . 1 1 73 73 GLU C C 73 176.312 176.312 176.553 -0.241 19628 1659 1 5 . 1 1 73 73 GLU CA C 73 56.613 56.613 55.064 1.549 19628 1660 1 5 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.401 0.478 19628 1661 1 6 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.629 -0.093 19628 1662 1 6 . 1 1 2 2 PRO C C 2 176.988 176.988 176.109 0.879 19628 1663 1 6 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.706 0.626 19628 1664 1 6 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.324 -0.083 19628 1665 1 6 . 1 1 3 3 ASP N N 3 120.121 120.121 124.529 -4.408 19628 1666 1 6 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.731 -0.105 19628 1667 1 6 . 1 1 3 3 ASP C C 3 176.550 176.550 175.585 0.965 19628 1668 1 6 . 1 1 3 3 ASP CA C 3 54.584 54.584 54.045 0.539 19628 1669 1 6 . 1 1 3 3 ASP CB C 3 41.274 41.274 40.997 0.277 19628 1670 1 6 . 1 1 4 4 LYS N N 4 120.298 120.298 125.327 -5.029 19628 1671 1 6 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.596 -0.145 19628 1672 1 6 . 1 1 4 4 LYS C C 4 176.439 176.439 176.928 -0.489 19628 1673 1 6 . 1 1 4 4 LYS CA C 4 55.908 55.908 56.515 -0.607 19628 1674 1 6 . 1 1 4 4 LYS CB C 4 33.819 33.819 33.181 0.638 19628 1675 1 6 . 1 1 5 5 GLN N N 5 122.085 122.085 122.745 -0.660 19628 1676 1 6 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.437 0.026 19628 1677 1 6 . 1 1 5 5 GLN C C 5 175.305 175.305 176.589 -1.284 19628 1678 1 6 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.332 -0.015 19628 1679 1 6 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.574 1.894 19628 1680 1 6 . 1 1 6 6 LEU N N 6 127.607 127.607 123.133 4.474 19628 1681 1 6 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.255 0.518 19628 1682 1 6 . 1 1 6 6 LEU C C 6 176.477 176.477 176.078 0.399 19628 1683 1 6 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.490 -1.421 19628 1684 1 6 . 1 1 6 6 LEU CB C 6 42.540 42.540 41.832 0.708 19628 1685 1 6 . 1 1 7 7 LEU N N 7 124.306 124.306 123.766 0.540 19628 1686 1 6 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.975 -0.388 19628 1687 1 6 . 1 1 7 7 LEU C C 7 176.499 176.499 175.321 1.178 19628 1688 1 6 . 1 1 7 7 LEU CA C 7 57.062 57.062 52.900 4.162 19628 1689 1 6 . 1 1 7 7 LEU CB C 7 42.566 42.566 44.233 -1.667 19628 1690 1 6 . 1 1 8 8 HIS N N 8 124.882 124.882 118.312 6.570 19628 1691 1 6 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.224 0.567 19628 1692 1 6 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.187 0.114 19628 1693 1 6 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.476 4.064 19628 1694 1 6 . 1 1 9 9 ILE N N 9 119.723 119.723 119.772 -0.049 19628 1695 1 6 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.731 0.828 19628 1696 1 6 . 1 1 9 9 ILE CA C 9 59.010 59.010 60.986 -1.976 19628 1697 1 6 . 1 1 9 9 ILE CB C 9 42.600 42.600 39.333 3.267 19628 1698 1 6 . 1 1 10 10 VAL N N 10 124.236 124.236 115.827 8.409 19628 1699 1 6 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.801 0.780 19628 1700 1 6 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.486 0.808 19628 1701 1 6 . 1 1 10 10 VAL CB C 10 34.158 34.158 33.457 0.701 19628 1702 1 6 . 1 1 11 11 VAL N N 11 119.677 119.677 125.023 -5.346 19628 1703 1 6 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.568 1.175 19628 1704 1 6 . 1 1 11 11 VAL CA C 11 58.090 58.090 60.315 -2.224 19628 1705 1 6 . 1 1 11 11 VAL CB C 11 36.591 36.591 36.419 0.173 19628 1706 1 6 . 1 1 12 12 GLY N N 12 107.410 107.410 112.377 -4.967 19628 1707 1 6 . 1 1 12 12 GLY CA C 12 46.567 46.567 43.447 3.120 19628 1708 1 6 . 1 1 13 13 GLY N N 13 103.550 103.550 105.444 -1.894 19628 1709 1 6 . 1 1 13 13 GLY C C 13 172.290 172.290 173.379 -1.089 19628 1710 1 6 . 1 1 13 13 GLY CA C 13 45.021 45.021 45.161 -0.140 19628 1711 1 6 . 1 1 14 14 GLU N N 14 118.735 118.735 122.472 -3.737 19628 1712 1 6 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.741 -0.134 19628 1713 1 6 . 1 1 14 14 GLU C C 14 177.819 177.819 176.339 1.480 19628 1714 1 6 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.345 0.143 19628 1715 1 6 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.111 0.890 19628 1716 1 6 . 1 1 15 15 LEU N N 15 125.767 125.767 125.839 -0.072 19628 1717 1 6 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.559 0.313 19628 1718 1 6 . 1 1 15 15 LEU C C 15 178.742 178.742 177.262 1.480 19628 1719 1 6 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.397 0.924 19628 1720 1 6 . 1 1 15 15 LEU CB C 15 42.981 42.981 42.054 0.927 19628 1721 1 6 . 1 1 16 16 LYS N N 16 120.328 120.328 118.126 2.202 19628 1722 1 6 . 1 1 16 16 LYS HA H 16 4.157 4.157 3.949 0.208 19628 1723 1 6 . 1 1 16 16 LYS CA C 16 57.359 57.359 59.276 -1.917 19628 1724 1 6 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.093 1.780 19628 1725 1 6 . 1 1 17 17 ASP N N 17 121.541 121.541 115.041 6.500 19628 1726 1 6 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.502 0.362 19628 1727 1 6 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.029 1.455 19628 1728 1 6 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.350 -2.442 19628 1729 1 6 . 1 1 18 18 VAL N N 18 117.413 117.413 116.378 1.035 19628 1730 1 6 . 1 1 18 18 VAL HA H 18 4.333 4.333 4.020 0.313 19628 1731 1 6 . 1 1 18 18 VAL C C 18 175.600 175.600 177.079 -1.479 19628 1732 1 6 . 1 1 18 18 VAL CA C 18 61.089 61.089 65.055 -3.966 19628 1733 1 6 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.553 2.700 19628 1734 1 6 . 1 1 19 19 ALA N N 19 122.852 122.852 122.336 0.516 19628 1735 1 6 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.479 -0.086 19628 1736 1 6 . 1 1 19 19 ALA C C 19 178.737 178.737 177.653 1.084 19628 1737 1 6 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.778 0.164 19628 1738 1 6 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.137 -0.141 19628 1739 1 6 . 1 1 20 20 GLY N N 20 107.686 107.686 106.279 1.407 19628 1740 1 6 . 1 1 20 20 GLY C C 20 173.316 173.316 174.107 -0.791 19628 1741 1 6 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.397 0.214 19628 1742 1 6 . 1 1 21 21 VAL N N 21 117.897 117.897 121.917 -4.020 19628 1743 1 6 . 1 1 21 21 VAL HA H 21 3.950 3.950 4.073 -0.123 19628 1744 1 6 . 1 1 21 21 VAL C C 21 174.804 174.804 174.527 0.277 19628 1745 1 6 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.127 0.900 19628 1746 1 6 . 1 1 21 21 VAL CB C 21 32.034 32.034 31.655 0.379 19628 1747 1 6 . 1 1 22 22 GLU N N 22 124.637 124.637 121.393 3.244 19628 1748 1 6 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.184 0.136 19628 1749 1 6 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.253 0.652 19628 1750 1 6 . 1 1 22 22 GLU CB C 22 32.883 32.883 28.707 4.176 19628 1751 1 6 . 1 1 23 23 PHE N N 23 124.102 124.102 125.662 -1.560 19628 1752 1 6 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.442 0.253 19628 1753 1 6 . 1 1 23 23 PHE C C 23 177.013 177.013 176.563 0.450 19628 1754 1 6 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.839 0.180 19628 1755 1 6 . 1 1 23 23 PHE CB C 23 38.771 38.771 37.506 1.265 19628 1756 1 6 . 1 1 24 24 ARG N N 24 121.555 121.555 124.718 -3.163 19628 1757 1 6 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.110 -0.242 19628 1758 1 6 . 1 1 24 24 ARG C C 24 176.567 176.567 176.604 -0.037 19628 1759 1 6 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.610 0.692 19628 1760 1 6 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.777 0.078 19628 1761 1 6 . 1 1 25 25 ASP N N 25 116.629 116.629 118.659 -2.030 19628 1762 1 6 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.805 -0.014 19628 1763 1 6 . 1 1 25 25 ASP C C 25 177.266 177.266 176.388 0.878 19628 1764 1 6 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.148 -0.340 19628 1765 1 6 . 1 1 25 25 ASP CB C 25 41.962 41.962 41.740 0.222 19628 1766 1 6 . 1 1 26 26 LEU N N 26 125.814 125.814 124.671 1.143 19628 1767 1 6 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.205 -0.249 19628 1768 1 6 . 1 1 26 26 LEU C C 26 178.850 178.850 178.625 0.225 19628 1769 1 6 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.290 1.064 19628 1770 1 6 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.133 -0.223 19628 1771 1 6 . 1 1 27 27 SER N N 27 113.793 113.793 115.080 -1.287 19628 1772 1 6 . 1 1 27 27 SER HA H 27 4.454 4.454 4.302 0.152 19628 1773 1 6 . 1 1 27 27 SER C C 27 175.696 175.696 175.446 0.250 19628 1774 1 6 . 1 1 27 27 SER CA C 27 60.804 60.804 60.323 0.481 19628 1775 1 6 . 1 1 27 27 SER CB C 27 63.311 63.311 63.297 0.014 19628 1776 1 6 . 1 1 28 28 LYS N N 28 120.122 120.122 119.604 0.518 19628 1777 1 6 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.381 0.240 19628 1778 1 6 . 1 1 28 28 LYS C C 28 177.281 177.281 175.696 1.585 19628 1779 1 6 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.197 -0.534 19628 1780 1 6 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.652 0.424 19628 1781 1 6 . 1 1 29 29 VAL N N 29 120.916 120.916 121.830 -0.914 19628 1782 1 6 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.659 0.214 19628 1783 1 6 . 1 1 29 29 VAL CA C 29 63.625 63.625 62.404 1.221 19628 1784 1 6 . 1 1 29 29 VAL CB C 29 32.440 32.440 30.913 1.526 19628 1785 1 6 . 1 1 30 30 GLU N N 30 127.248 127.248 128.686 -1.438 19628 1786 1 6 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.312 0.082 19628 1787 1 6 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.318 -0.891 19628 1788 1 6 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.051 2.127 19628 1789 1 6 . 1 1 31 31 PHE N N 31 126.351 126.351 125.914 0.437 19628 1790 1 6 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.482 -0.006 19628 1791 1 6 . 1 1 31 31 PHE CA C 31 56.433 56.433 59.019 -2.586 19628 1792 1 6 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.495 -2.860 19628 1793 1 6 . 1 1 32 32 VAL N N 32 128.354 128.354 124.002 4.352 19628 1794 1 6 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.913 -0.046 19628 1795 1 6 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.947 0.073 19628 1796 1 6 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.380 -0.306 19628 1797 1 6 . 1 1 33 33 GLY N N 33 107.690 107.690 105.562 2.128 19628 1798 1 6 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.641 1.125 19628 1799 1 6 . 1 1 34 34 ALA N N 34 120.706 120.706 122.175 -1.469 19628 1800 1 6 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.864 0.290 19628 1801 1 6 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.125 -2.306 19628 1802 1 6 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.213 0.649 19628 1803 1 6 . 1 1 35 35 TYR N N 35 115.457 115.457 122.215 -6.758 19628 1804 1 6 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.839 0.104 19628 1805 1 6 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.277 1.050 19628 1806 1 6 . 1 1 35 35 TYR CB C 35 42.558 42.558 39.560 2.998 19628 1807 1 6 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.435 0.225 19628 1808 1 6 . 1 1 36 36 PRO C C 36 174.733 174.733 175.985 -1.252 19628 1809 1 6 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.899 0.040 19628 1810 1 6 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.464 -0.097 19628 1811 1 6 . 1 1 37 37 SER N N 37 109.883 109.883 111.349 -1.466 19628 1812 1 6 . 1 1 37 37 SER HA H 37 4.819 4.819 4.706 0.113 19628 1813 1 6 . 1 1 37 37 SER C C 37 173.943 173.943 174.308 -0.365 19628 1814 1 6 . 1 1 37 37 SER CA C 37 56.502 56.502 56.105 0.397 19628 1815 1 6 . 1 1 37 37 SER CB C 37 66.351 66.351 65.076 1.275 19628 1816 1 6 . 1 1 38 38 TYR N N 38 122.819 122.819 129.364 -6.545 19628 1817 1 6 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.285 -1.234 19628 1818 1 6 . 1 1 38 38 TYR C C 38 177.295 177.295 176.507 0.788 19628 1819 1 6 . 1 1 38 38 TYR CA C 38 62.073 62.073 60.834 1.240 19628 1820 1 6 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.478 -0.814 19628 1821 1 6 . 1 1 39 39 ASP N N 39 116.964 116.964 117.852 -0.888 19628 1822 1 6 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.159 0.062 19628 1823 1 6 . 1 1 39 39 ASP C C 39 179.740 179.740 178.087 1.653 19628 1824 1 6 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.106 0.648 19628 1825 1 6 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.851 0.044 19628 1826 1 6 . 1 1 40 40 GLU N N 40 116.783 116.783 118.690 -1.907 19628 1827 1 6 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.991 -0.022 19628 1828 1 6 . 1 1 40 40 GLU C C 40 178.947 178.947 178.329 0.618 19628 1829 1 6 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.478 0.734 19628 1830 1 6 . 1 1 40 40 GLU CB C 40 30.282 30.282 29.064 1.218 19628 1831 1 6 . 1 1 41 41 ALA N N 41 122.522 122.522 121.804 0.718 19628 1832 1 6 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.881 -0.841 19628 1833 1 6 . 1 1 41 41 ALA C C 41 178.474 178.474 179.163 -0.689 19628 1834 1 6 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.614 -0.499 19628 1835 1 6 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.330 0.218 19628 1836 1 6 . 1 1 42 42 HIS N N 42 118.486 118.486 117.838 0.648 19628 1837 1 6 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.124 -0.274 19628 1838 1 6 . 1 1 42 42 HIS C C 42 177.400 177.400 177.124 0.276 19628 1839 1 6 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.552 1.635 19628 1840 1 6 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.750 0.249 19628 1841 1 6 . 1 1 43 43 LYS N N 43 118.483 118.483 118.754 -0.271 19628 1842 1 6 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.082 -0.227 19628 1843 1 6 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.858 2.226 19628 1844 1 6 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.134 0.562 19628 1845 1 6 . 1 1 44 44 ALA N N 44 121.891 121.891 122.223 -0.332 19628 1846 1 6 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.022 -0.055 19628 1847 1 6 . 1 1 44 44 ALA C C 44 180.412 180.412 178.859 1.553 19628 1848 1 6 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.863 -0.158 19628 1849 1 6 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.895 1.164 19628 1850 1 6 . 1 1 45 45 TRP N N 45 119.065 119.065 120.069 -1.004 19628 1851 1 6 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.321 -0.887 19628 1852 1 6 . 1 1 45 45 TRP C C 45 176.748 176.748 177.673 -0.925 19628 1853 1 6 . 1 1 45 45 TRP CA C 45 62.540 62.540 60.956 1.584 19628 1854 1 6 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.127 0.015 19628 1855 1 6 . 1 1 46 46 LYS N N 46 119.011 119.011 119.267 -0.256 19628 1856 1 6 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.203 -0.260 19628 1857 1 6 . 1 1 46 46 LYS C C 46 178.523 178.523 178.004 0.519 19628 1858 1 6 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.116 1.171 19628 1859 1 6 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.381 1.156 19628 1860 1 6 . 1 1 47 47 ALA N N 47 118.189 118.189 122.657 -4.468 19628 1861 1 6 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.939 0.021 19628 1862 1 6 . 1 1 47 47 ALA C C 47 180.604 180.604 179.910 0.694 19628 1863 1 6 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.217 -1.014 19628 1864 1 6 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.120 0.047 19628 1865 1 6 . 1 1 48 48 LYS N N 48 116.778 116.778 117.875 -1.097 19628 1866 1 6 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.926 -0.166 19628 1867 1 6 . 1 1 48 48 LYS C C 48 178.378 178.378 178.513 -0.135 19628 1868 1 6 . 1 1 48 48 LYS CA C 48 55.937 55.937 58.022 -2.085 19628 1869 1 6 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.065 -1.656 19628 1870 1 6 . 1 1 49 49 ALA N N 49 121.343 121.343 122.277 -0.934 19628 1871 1 6 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.003 -0.243 19628 1872 1 6 . 1 1 49 49 ALA C C 49 180.075 180.075 178.891 1.184 19628 1873 1 6 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.649 -0.572 19628 1874 1 6 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.154 -0.532 19628 1875 1 6 . 1 1 50 50 GLN N N 50 114.507 114.507 116.240 -1.733 19628 1876 1 6 . 1 1 50 50 GLN HA H 50 4.119 4.119 3.986 0.133 19628 1877 1 6 . 1 1 50 50 GLN C C 50 176.838 176.838 178.665 -1.827 19628 1878 1 6 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.955 -1.312 19628 1879 1 6 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.826 -0.016 19628 1880 1 6 . 1 1 51 51 ALA N N 51 121.078 121.078 121.456 -0.378 19628 1881 1 6 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.083 0.295 19628 1882 1 6 . 1 1 51 51 ALA C C 51 178.394 178.394 178.585 -0.191 19628 1883 1 6 . 1 1 51 51 ALA CA C 51 52.823 52.823 54.319 -1.496 19628 1884 1 6 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.700 0.655 19628 1885 1 6 . 1 1 52 52 THR N N 52 111.735 111.735 109.886 1.849 19628 1886 1 6 . 1 1 52 52 THR HA H 52 4.443 4.443 4.400 0.043 19628 1887 1 6 . 1 1 52 52 THR C C 52 175.345 175.345 175.743 -0.398 19628 1888 1 6 . 1 1 52 52 THR CA C 52 61.884 61.884 59.882 2.002 19628 1889 1 6 . 1 1 52 52 THR CB C 52 69.455 69.455 68.116 1.339 19628 1890 1 6 . 1 1 53 53 VAL N N 53 120.702 120.702 116.725 3.977 19628 1891 1 6 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.812 0.323 19628 1892 1 6 . 1 1 53 53 VAL C C 53 176.425 176.425 176.282 0.143 19628 1893 1 6 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.268 -1.263 19628 1894 1 6 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.752 0.971 19628 1895 1 6 . 1 1 54 54 ASP N N 54 120.122 120.122 119.172 0.950 19628 1896 1 6 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.507 0.099 19628 1897 1 6 . 1 1 54 54 ASP C C 54 176.471 176.471 176.378 0.093 19628 1898 1 6 . 1 1 54 54 ASP CA C 54 54.740 54.740 56.055 -1.315 19628 1899 1 6 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.712 0.446 19628 1900 1 6 . 1 1 55 55 ASN N N 55 117.542 117.542 119.380 -1.838 19628 1901 1 6 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.726 0.041 19628 1902 1 6 . 1 1 55 55 ASN C C 55 175.457 175.457 174.915 0.542 19628 1903 1 6 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.326 -0.244 19628 1904 1 6 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.070 -0.370 19628 1905 1 6 . 1 1 56 56 ALA N N 56 122.962 122.962 127.135 -4.173 19628 1906 1 6 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.004 0.303 19628 1907 1 6 . 1 1 56 56 ALA C C 56 178.144 178.144 177.599 0.545 19628 1908 1 6 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.031 -0.842 19628 1909 1 6 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.087 0.183 19628 1910 1 6 . 1 1 57 57 HIS N N 57 114.258 114.258 114.759 -0.501 19628 1911 1 6 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.754 -0.036 19628 1912 1 6 . 1 1 57 57 HIS C C 57 174.283 174.283 174.063 0.220 19628 1913 1 6 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.153 1.385 19628 1914 1 6 . 1 1 57 57 HIS CB C 57 29.348 29.348 30.832 -1.484 19628 1915 1 6 . 1 1 58 58 ALA N N 58 122.364 122.364 123.638 -1.274 19628 1916 1 6 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.689 -0.388 19628 1917 1 6 . 1 1 58 58 ALA C C 58 176.549 176.549 177.120 -0.571 19628 1918 1 6 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.781 0.468 19628 1919 1 6 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.735 1.163 19628 1920 1 6 . 1 1 59 59 ARG N N 59 120.664 120.664 124.582 -3.918 19628 1921 1 6 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.550 0.027 19628 1922 1 6 . 1 1 59 59 ARG C C 59 174.047 174.047 174.549 -0.502 19628 1923 1 6 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.246 -0.287 19628 1924 1 6 . 1 1 59 59 ARG CB C 59 34.241 34.241 32.426 1.815 19628 1925 1 6 . 1 1 60 60 TYR N N 60 117.222 117.222 122.019 -4.797 19628 1926 1 6 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.716 0.687 19628 1927 1 6 . 1 1 60 60 TYR C C 60 176.206 176.206 175.013 1.193 19628 1928 1 6 . 1 1 60 60 TYR CA C 60 57.256 57.256 57.386 -0.130 19628 1929 1 6 . 1 1 60 60 TYR CB C 60 42.214 42.214 37.591 4.623 19628 1930 1 6 . 1 1 61 61 PHE N N 61 117.727 117.727 121.581 -3.854 19628 1931 1 6 . 1 1 61 61 PHE HA H 61 5.294 5.294 4.938 0.356 19628 1932 1 6 . 1 1 61 61 PHE C C 61 174.358 174.358 175.819 -1.461 19628 1933 1 6 . 1 1 61 61 PHE CA C 61 57.123 57.123 57.227 -0.104 19628 1934 1 6 . 1 1 61 61 PHE CB C 61 45.819 45.819 41.113 4.706 19628 1935 1 6 . 1 1 62 62 ILE N N 62 118.711 118.711 117.736 0.975 19628 1936 1 6 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.831 0.283 19628 1937 1 6 . 1 1 62 62 ILE C C 62 174.937 174.937 175.201 -0.264 19628 1938 1 6 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.476 0.149 19628 1939 1 6 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.299 -0.125 19628 1940 1 6 . 1 1 63 63 ILE N N 63 125.236 125.236 123.256 1.980 19628 1941 1 6 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.484 0.248 19628 1942 1 6 . 1 1 63 63 ILE C C 63 176.218 176.218 174.238 1.980 19628 1943 1 6 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.736 0.085 19628 1944 1 6 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.532 0.009 19628 1945 1 6 . 1 1 64 64 HIS N N 64 127.707 127.707 122.063 5.644 19628 1946 1 6 . 1 1 64 64 HIS HA H 64 4.553 4.553 3.969 0.584 19628 1947 1 6 . 1 1 64 64 HIS C C 64 174.365 174.365 174.442 -0.077 19628 1948 1 6 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.640 -2.101 19628 1949 1 6 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.718 2.047 19628 1950 1 6 . 1 1 65 65 ALA N N 65 131.873 131.873 127.847 4.026 19628 1951 1 6 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.676 -0.121 19628 1952 1 6 . 1 1 65 65 ALA C C 65 174.433 174.433 175.611 -1.178 19628 1953 1 6 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.286 -0.912 19628 1954 1 6 . 1 1 65 65 ALA CB C 65 18.767 18.767 20.036 -1.269 19628 1955 1 6 . 1 1 66 66 HIS N N 66 120.753 120.753 119.682 1.071 19628 1956 1 6 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.693 -0.522 19628 1957 1 6 . 1 1 66 66 HIS C C 66 175.249 175.249 175.124 0.125 19628 1958 1 6 . 1 1 66 66 HIS CA C 66 57.499 57.499 57.150 0.349 19628 1959 1 6 . 1 1 66 66 HIS CB C 66 30.570 30.570 31.109 -0.539 19628 1960 1 6 . 1 1 67 67 LYS N N 67 117.601 117.601 122.112 -4.511 19628 1961 1 6 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.484 -0.057 19628 1962 1 6 . 1 1 67 67 LYS C C 67 174.799 174.799 176.239 -1.440 19628 1963 1 6 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.111 -0.043 19628 1964 1 6 . 1 1 67 67 LYS CB C 67 34.784 34.784 31.446 3.338 19628 1965 1 6 . 1 1 68 68 LEU N N 68 127.238 127.238 124.932 2.306 19628 1966 1 6 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.395 0.052 19628 1967 1 6 . 1 1 68 68 LEU C C 68 175.878 175.878 177.580 -1.702 19628 1968 1 6 . 1 1 68 68 LEU CA C 68 54.463 54.463 54.125 0.338 19628 1969 1 6 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.343 -0.771 19628 1970 1 6 . 1 1 69 69 LEU N N 69 123.968 123.968 124.099 -0.131 19628 1971 1 6 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.272 0.243 19628 1972 1 6 . 1 1 69 69 LEU C C 69 176.630 176.630 176.308 0.322 19628 1973 1 6 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.639 0.565 19628 1974 1 6 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.551 0.681 19628 1975 1 6 . 1 1 70 70 ASP N N 70 122.630 122.630 126.245 -3.615 19628 1976 1 6 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.970 0.267 19628 1977 1 6 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.146 -1.157 19628 1978 1 6 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.387 0.115 19628 1979 1 6 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.435 -0.128 19628 1980 1 6 . 1 1 71 71 PRO C C 71 177.095 177.095 176.782 0.313 19628 1981 1 6 . 1 1 71 71 PRO CA C 71 62.552 62.552 64.135 -1.583 19628 1982 1 6 . 1 1 71 71 PRO CB C 71 30.961 30.961 31.890 -0.929 19628 1983 1 6 . 1 1 72 72 SER N N 72 114.226 114.226 111.911 2.315 19628 1984 1 6 . 1 1 72 72 SER HA H 72 4.455 4.455 4.359 0.096 19628 1985 1 6 . 1 1 72 72 SER C C 72 175.162 175.162 174.224 0.938 19628 1986 1 6 . 1 1 72 72 SER CA C 72 60.232 60.232 58.712 1.520 19628 1987 1 6 . 1 1 72 72 SER CB C 72 63.899 63.899 63.086 0.813 19628 1988 1 6 . 1 1 73 73 GLU N N 73 121.971 121.971 122.945 -0.974 19628 1989 1 6 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.220 0.188 19628 1990 1 6 . 1 1 73 73 GLU C C 73 176.312 176.312 176.783 -0.471 19628 1991 1 6 . 1 1 73 73 GLU CA C 73 56.613 56.613 55.980 0.633 19628 1992 1 6 . 1 1 73 73 GLU CB C 73 30.879 30.879 28.238 2.640 19628 1993 1 7 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.388 0.148 19628 1994 1 7 . 1 1 2 2 PRO C C 2 176.988 176.988 175.803 1.185 19628 1995 1 7 . 1 1 2 2 PRO CA C 2 63.332 63.332 63.223 0.109 19628 1996 1 7 . 1 1 2 2 PRO CB C 2 32.241 32.241 31.148 1.093 19628 1997 1 7 . 1 1 3 3 ASP N N 3 120.121 120.121 125.036 -4.915 19628 1998 1 7 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.661 -0.035 19628 1999 1 7 . 1 1 3 3 ASP C C 3 176.550 176.550 175.619 0.931 19628 2000 1 7 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.798 0.785 19628 2001 1 7 . 1 1 3 3 ASP CB C 3 41.274 41.274 41.572 -0.298 19628 2002 1 7 . 1 1 4 4 LYS N N 4 120.298 120.298 125.283 -4.985 19628 2003 1 7 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.733 -0.282 19628 2004 1 7 . 1 1 4 4 LYS C C 4 176.439 176.439 177.114 -0.675 19628 2005 1 7 . 1 1 4 4 LYS CA C 4 55.908 55.908 54.905 1.003 19628 2006 1 7 . 1 1 4 4 LYS CB C 4 33.819 33.819 34.336 -0.516 19628 2007 1 7 . 1 1 5 5 GLN N N 5 122.085 122.085 121.761 0.324 19628 2008 1 7 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.253 0.210 19628 2009 1 7 . 1 1 5 5 GLN C C 5 175.305 175.305 176.395 -1.090 19628 2010 1 7 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.638 -0.321 19628 2011 1 7 . 1 1 5 5 GLN CB C 5 30.468 30.468 29.080 1.388 19628 2012 1 7 . 1 1 6 6 LEU N N 6 127.607 127.607 120.289 7.318 19628 2013 1 7 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.405 0.368 19628 2014 1 7 . 1 1 6 6 LEU C C 6 176.477 176.477 176.072 0.405 19628 2015 1 7 . 1 1 6 6 LEU CA C 6 54.069 54.069 54.649 -0.580 19628 2016 1 7 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.917 -0.377 19628 2017 1 7 . 1 1 7 7 LEU N N 7 124.306 124.306 121.271 3.035 19628 2018 1 7 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.819 -0.232 19628 2019 1 7 . 1 1 7 7 LEU C C 7 176.499 176.499 175.348 1.151 19628 2020 1 7 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.544 3.518 19628 2021 1 7 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.023 -0.457 19628 2022 1 7 . 1 1 8 8 HIS N N 8 124.882 124.882 119.824 5.058 19628 2023 1 7 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.018 0.773 19628 2024 1 7 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.137 0.164 19628 2025 1 7 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.839 4.700 19628 2026 1 7 . 1 1 9 9 ILE N N 9 119.723 119.723 119.923 -0.200 19628 2027 1 7 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.284 1.275 19628 2028 1 7 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.646 -2.636 19628 2029 1 7 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.855 3.745 19628 2030 1 7 . 1 1 10 10 VAL N N 10 124.236 124.236 117.802 6.434 19628 2031 1 7 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.731 0.850 19628 2032 1 7 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.701 0.593 19628 2033 1 7 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.252 1.906 19628 2034 1 7 . 1 1 11 11 VAL N N 11 119.677 119.677 118.571 1.106 19628 2035 1 7 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.831 0.912 19628 2036 1 7 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.642 -1.552 19628 2037 1 7 . 1 1 11 11 VAL CB C 11 36.591 36.591 34.889 1.702 19628 2038 1 7 . 1 1 12 12 GLY N N 12 107.410 107.410 108.319 -0.909 19628 2039 1 7 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.521 2.046 19628 2040 1 7 . 1 1 13 13 GLY N N 13 103.550 103.550 106.501 -2.951 19628 2041 1 7 . 1 1 13 13 GLY C C 13 172.290 172.290 172.586 -0.296 19628 2042 1 7 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.249 0.772 19628 2043 1 7 . 1 1 14 14 GLU N N 14 118.735 118.735 120.521 -1.786 19628 2044 1 7 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.554 0.053 19628 2045 1 7 . 1 1 14 14 GLU C C 14 177.819 177.819 176.499 1.320 19628 2046 1 7 . 1 1 14 14 GLU CA C 14 56.488 56.488 55.859 0.629 19628 2047 1 7 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.774 0.227 19628 2048 1 7 . 1 1 15 15 LEU N N 15 125.767 125.767 124.586 1.181 19628 2049 1 7 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.739 0.133 19628 2050 1 7 . 1 1 15 15 LEU C C 15 178.742 178.742 178.045 0.697 19628 2051 1 7 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.251 1.071 19628 2052 1 7 . 1 1 15 15 LEU CB C 15 42.981 42.981 42.551 0.430 19628 2053 1 7 . 1 1 16 16 LYS N N 16 120.328 120.328 118.874 1.454 19628 2054 1 7 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.185 -0.028 19628 2055 1 7 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.662 -1.303 19628 2056 1 7 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.160 1.714 19628 2057 1 7 . 1 1 17 17 ASP N N 17 121.541 121.541 117.169 4.372 19628 2058 1 7 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.241 0.623 19628 2059 1 7 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.285 1.199 19628 2060 1 7 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.306 -2.398 19628 2061 1 7 . 1 1 18 18 VAL N N 18 117.413 117.413 117.556 -0.143 19628 2062 1 7 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.922 0.411 19628 2063 1 7 . 1 1 18 18 VAL C C 18 175.600 175.600 176.296 -0.696 19628 2064 1 7 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.510 -3.421 19628 2065 1 7 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.821 2.433 19628 2066 1 7 . 1 1 19 19 ALA N N 19 122.852 122.852 119.814 3.038 19628 2067 1 7 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.622 -0.229 19628 2068 1 7 . 1 1 19 19 ALA C C 19 178.737 178.737 178.421 0.316 19628 2069 1 7 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.151 0.791 19628 2070 1 7 . 1 1 19 19 ALA CB C 19 18.997 18.997 20.203 -1.206 19628 2071 1 7 . 1 1 20 20 GLY N N 20 107.686 107.686 108.507 -0.821 19628 2072 1 7 . 1 1 20 20 GLY C C 20 173.316 173.316 174.190 -0.874 19628 2073 1 7 . 1 1 20 20 GLY CA C 20 44.611 44.611 45.071 -0.460 19628 2074 1 7 . 1 1 21 21 VAL N N 21 117.897 117.897 126.371 -8.474 19628 2075 1 7 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.873 0.077 19628 2076 1 7 . 1 1 21 21 VAL C C 21 174.804 174.804 175.127 -0.323 19628 2077 1 7 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.821 -0.794 19628 2078 1 7 . 1 1 21 21 VAL CB C 21 32.034 32.034 30.303 1.731 19628 2079 1 7 . 1 1 22 22 GLU N N 22 124.637 124.637 124.762 -0.125 19628 2080 1 7 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.203 0.117 19628 2081 1 7 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.772 0.133 19628 2082 1 7 . 1 1 22 22 GLU CB C 22 32.883 32.883 32.281 0.602 19628 2083 1 7 . 1 1 23 23 PHE N N 23 124.102 124.102 123.001 1.101 19628 2084 1 7 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.545 0.150 19628 2085 1 7 . 1 1 23 23 PHE C C 23 177.013 177.013 176.578 0.435 19628 2086 1 7 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.310 0.709 19628 2087 1 7 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.780 -0.009 19628 2088 1 7 . 1 1 24 24 ARG N N 24 121.555 121.555 124.004 -2.449 19628 2089 1 7 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.167 -0.299 19628 2090 1 7 . 1 1 24 24 ARG C C 24 176.567 176.567 176.641 -0.074 19628 2091 1 7 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.440 0.862 19628 2092 1 7 . 1 1 24 24 ARG CB C 24 30.855 30.855 31.149 -0.294 19628 2093 1 7 . 1 1 25 25 ASP N N 25 116.629 116.629 118.482 -1.853 19628 2094 1 7 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.846 -0.055 19628 2095 1 7 . 1 1 25 25 ASP C C 25 177.266 177.266 176.338 0.928 19628 2096 1 7 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.455 -0.646 19628 2097 1 7 . 1 1 25 25 ASP CB C 25 41.962 41.962 43.407 -1.444 19628 2098 1 7 . 1 1 26 26 LEU N N 26 125.814 125.814 123.346 2.468 19628 2099 1 7 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.210 -0.254 19628 2100 1 7 . 1 1 26 26 LEU C C 26 178.850 178.850 177.488 1.362 19628 2101 1 7 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.456 0.898 19628 2102 1 7 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.284 -0.374 19628 2103 1 7 . 1 1 27 27 SER N N 27 113.793 113.793 112.644 1.149 19628 2104 1 7 . 1 1 27 27 SER HA H 27 4.454 4.454 4.427 0.027 19628 2105 1 7 . 1 1 27 27 SER C C 27 175.696 175.696 175.016 0.680 19628 2106 1 7 . 1 1 27 27 SER CA C 27 60.804 60.804 58.966 1.838 19628 2107 1 7 . 1 1 27 27 SER CB C 27 63.311 63.311 63.207 0.104 19628 2108 1 7 . 1 1 28 28 LYS N N 28 120.122 120.122 121.200 -1.078 19628 2109 1 7 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.386 0.235 19628 2110 1 7 . 1 1 28 28 LYS C C 28 177.281 177.281 176.040 1.241 19628 2111 1 7 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.682 -1.019 19628 2112 1 7 . 1 1 28 28 LYS CB C 28 33.076 33.076 33.213 -0.137 19628 2113 1 7 . 1 1 29 29 VAL N N 29 120.916 120.916 117.940 2.976 19628 2114 1 7 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.747 0.126 19628 2115 1 7 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.806 2.819 19628 2116 1 7 . 1 1 29 29 VAL CB C 29 32.440 32.440 29.081 3.359 19628 2117 1 7 . 1 1 30 30 GLU N N 30 127.248 127.248 126.274 0.974 19628 2118 1 7 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.125 0.269 19628 2119 1 7 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.436 -1.009 19628 2120 1 7 . 1 1 30 30 GLU CB C 30 32.178 32.178 29.865 2.313 19628 2121 1 7 . 1 1 31 31 PHE N N 31 126.351 126.351 125.770 0.581 19628 2122 1 7 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.479 -0.003 19628 2123 1 7 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.462 -2.029 19628 2124 1 7 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.231 -2.596 19628 2125 1 7 . 1 1 32 32 VAL N N 32 128.354 128.354 123.645 4.709 19628 2126 1 7 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.810 0.057 19628 2127 1 7 . 1 1 32 32 VAL CA C 32 64.020 64.020 64.058 -0.038 19628 2128 1 7 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.221 -0.147 19628 2129 1 7 . 1 1 33 33 GLY N N 33 107.690 107.690 105.477 2.213 19628 2130 1 7 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.555 1.211 19628 2131 1 7 . 1 1 34 34 ALA N N 34 120.706 120.706 121.336 -0.630 19628 2132 1 7 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.682 0.472 19628 2133 1 7 . 1 1 34 34 ALA CA C 34 49.819 49.819 51.711 -1.892 19628 2134 1 7 . 1 1 34 34 ALA CB C 34 21.862 21.862 20.963 0.899 19628 2135 1 7 . 1 1 35 35 TYR N N 35 115.457 115.457 118.774 -3.317 19628 2136 1 7 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.777 0.166 19628 2137 1 7 . 1 1 35 35 TYR CA C 35 56.327 56.327 56.305 0.022 19628 2138 1 7 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.425 2.133 19628 2139 1 7 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.506 0.154 19628 2140 1 7 . 1 1 36 36 PRO C C 36 174.733 174.733 175.864 -1.131 19628 2141 1 7 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.480 0.459 19628 2142 1 7 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.389 -0.022 19628 2143 1 7 . 1 1 37 37 SER N N 37 109.883 109.883 111.627 -1.744 19628 2144 1 7 . 1 1 37 37 SER HA H 37 4.819 4.819 4.638 0.181 19628 2145 1 7 . 1 1 37 37 SER C C 37 173.943 173.943 174.239 -0.296 19628 2146 1 7 . 1 1 37 37 SER CA C 37 56.502 56.502 56.370 0.132 19628 2147 1 7 . 1 1 37 37 SER CB C 37 66.351 66.351 64.934 1.417 19628 2148 1 7 . 1 1 38 38 TYR N N 38 122.819 122.819 127.436 -4.617 19628 2149 1 7 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.273 -1.222 19628 2150 1 7 . 1 1 38 38 TYR C C 38 177.295 177.295 176.680 0.615 19628 2151 1 7 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.312 0.761 19628 2152 1 7 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.654 -0.990 19628 2153 1 7 . 1 1 39 39 ASP N N 39 116.964 116.964 118.919 -1.955 19628 2154 1 7 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.230 -0.009 19628 2155 1 7 . 1 1 39 39 ASP C C 39 179.740 179.740 178.410 1.330 19628 2156 1 7 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.782 -0.028 19628 2157 1 7 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.602 0.293 19628 2158 1 7 . 1 1 40 40 GLU N N 40 116.783 116.783 118.208 -1.425 19628 2159 1 7 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.909 0.060 19628 2160 1 7 . 1 1 40 40 GLU C C 40 178.947 178.947 178.377 0.570 19628 2161 1 7 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.981 0.231 19628 2162 1 7 . 1 1 40 40 GLU CB C 40 30.282 30.282 29.001 1.281 19628 2163 1 7 . 1 1 41 41 ALA N N 41 122.522 122.522 121.487 1.035 19628 2164 1 7 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.167 -1.127 19628 2165 1 7 . 1 1 41 41 ALA C C 41 178.474 178.474 179.263 -0.789 19628 2166 1 7 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.794 -0.679 19628 2167 1 7 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.363 0.185 19628 2168 1 7 . 1 1 42 42 HIS N N 42 118.486 118.486 117.897 0.589 19628 2169 1 7 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.112 -0.262 19628 2170 1 7 . 1 1 42 42 HIS C C 42 177.400 177.400 177.108 0.292 19628 2171 1 7 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.808 1.379 19628 2172 1 7 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.729 0.270 19628 2173 1 7 . 1 1 43 43 LYS N N 43 118.483 118.483 119.004 -0.521 19628 2174 1 7 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.011 -0.156 19628 2175 1 7 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.739 2.345 19628 2176 1 7 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.039 0.657 19628 2177 1 7 . 1 1 44 44 ALA N N 44 121.891 121.891 122.348 -0.457 19628 2178 1 7 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.015 -0.048 19628 2179 1 7 . 1 1 44 44 ALA C C 44 180.412 180.412 178.729 1.683 19628 2180 1 7 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.963 -0.258 19628 2181 1 7 . 1 1 44 44 ALA CB C 44 19.059 19.059 18.065 0.994 19628 2182 1 7 . 1 1 45 45 TRP N N 45 119.065 119.065 120.025 -0.960 19628 2183 1 7 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.250 -0.816 19628 2184 1 7 . 1 1 45 45 TRP C C 45 176.748 176.748 177.608 -0.860 19628 2185 1 7 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.327 1.213 19628 2186 1 7 . 1 1 45 45 TRP CB C 45 29.142 29.142 28.997 0.145 19628 2187 1 7 . 1 1 46 46 LYS N N 46 119.011 119.011 118.809 0.202 19628 2188 1 7 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.078 -0.135 19628 2189 1 7 . 1 1 46 46 LYS C C 46 178.523 178.523 178.170 0.353 19628 2190 1 7 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.122 1.165 19628 2191 1 7 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.241 1.296 19628 2192 1 7 . 1 1 47 47 ALA N N 47 118.189 118.189 122.553 -4.364 19628 2193 1 7 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.932 0.028 19628 2194 1 7 . 1 1 47 47 ALA C C 47 180.604 180.604 179.829 0.775 19628 2195 1 7 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.161 -0.958 19628 2196 1 7 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.146 0.021 19628 2197 1 7 . 1 1 48 48 LYS N N 48 116.778 116.778 117.890 -1.112 19628 2198 1 7 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.886 -0.126 19628 2199 1 7 . 1 1 48 48 LYS C C 48 178.378 178.378 178.613 -0.235 19628 2200 1 7 . 1 1 48 48 LYS CA C 48 55.937 55.937 58.132 -2.195 19628 2201 1 7 . 1 1 48 48 LYS CB C 48 30.409 30.409 31.892 -1.483 19628 2202 1 7 . 1 1 49 49 ALA N N 49 121.343 121.343 121.591 -0.248 19628 2203 1 7 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.108 -0.348 19628 2204 1 7 . 1 1 49 49 ALA C C 49 180.075 180.075 178.819 1.256 19628 2205 1 7 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.621 -0.544 19628 2206 1 7 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.270 -0.648 19628 2207 1 7 . 1 1 50 50 GLN N N 50 114.507 114.507 115.737 -1.230 19628 2208 1 7 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.187 -0.068 19628 2209 1 7 . 1 1 50 50 GLN C C 50 176.838 176.838 177.674 -0.836 19628 2210 1 7 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.041 -0.398 19628 2211 1 7 . 1 1 50 50 GLN CB C 50 28.810 28.810 29.141 -0.331 19628 2212 1 7 . 1 1 51 51 ALA N N 51 121.078 121.078 122.049 -0.971 19628 2213 1 7 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.317 0.061 19628 2214 1 7 . 1 1 51 51 ALA C C 51 178.394 178.394 178.626 -0.232 19628 2215 1 7 . 1 1 51 51 ALA CA C 51 52.823 52.823 54.052 -1.229 19628 2216 1 7 . 1 1 51 51 ALA CB C 51 19.355 19.355 19.090 0.265 19628 2217 1 7 . 1 1 52 52 THR N N 52 111.735 111.735 112.149 -0.414 19628 2218 1 7 . 1 1 52 52 THR HA H 52 4.443 4.443 4.413 0.030 19628 2219 1 7 . 1 1 52 52 THR C C 52 175.345 175.345 175.608 -0.263 19628 2220 1 7 . 1 1 52 52 THR CA C 52 61.884 61.884 60.915 0.969 19628 2221 1 7 . 1 1 52 52 THR CB C 52 69.455 69.455 68.279 1.176 19628 2222 1 7 . 1 1 53 53 VAL N N 53 120.702 120.702 116.611 4.091 19628 2223 1 7 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.866 0.269 19628 2224 1 7 . 1 1 53 53 VAL C C 53 176.425 176.425 176.459 -0.034 19628 2225 1 7 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.093 -1.088 19628 2226 1 7 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.671 1.052 19628 2227 1 7 . 1 1 54 54 ASP N N 54 120.122 120.122 119.990 0.132 19628 2228 1 7 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.477 0.129 19628 2229 1 7 . 1 1 54 54 ASP C C 54 176.471 176.471 176.602 -0.131 19628 2230 1 7 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.717 -0.976 19628 2231 1 7 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.116 0.042 19628 2232 1 7 . 1 1 55 55 ASN N N 55 117.542 117.542 118.062 -0.520 19628 2233 1 7 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.556 0.211 19628 2234 1 7 . 1 1 55 55 ASN C C 55 175.457 175.457 174.885 0.572 19628 2235 1 7 . 1 1 55 55 ASN CA C 55 53.082 53.082 54.083 -1.001 19628 2236 1 7 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.439 -0.739 19628 2237 1 7 . 1 1 56 56 ALA N N 56 122.962 122.962 124.358 -1.396 19628 2238 1 7 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.139 0.168 19628 2239 1 7 . 1 1 56 56 ALA C C 56 178.144 178.144 177.814 0.330 19628 2240 1 7 . 1 1 56 56 ALA CA C 56 53.189 53.189 53.701 -0.512 19628 2241 1 7 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.300 -0.030 19628 2242 1 7 . 1 1 57 57 HIS N N 57 114.258 114.258 115.425 -1.167 19628 2243 1 7 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.796 -0.078 19628 2244 1 7 . 1 1 57 57 HIS C C 57 174.283 174.283 174.323 -0.040 19628 2245 1 7 . 1 1 57 57 HIS CA C 57 55.538 55.538 53.511 2.027 19628 2246 1 7 . 1 1 57 57 HIS CB C 57 29.348 29.348 30.449 -1.101 19628 2247 1 7 . 1 1 58 58 ALA N N 58 122.364 122.364 124.531 -2.167 19628 2248 1 7 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.340 -0.039 19628 2249 1 7 . 1 1 58 58 ALA C C 58 176.549 176.549 176.809 -0.260 19628 2250 1 7 . 1 1 58 58 ALA CA C 58 52.249 52.249 52.222 0.027 19628 2251 1 7 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.299 1.599 19628 2252 1 7 . 1 1 59 59 ARG N N 59 120.664 120.664 126.005 -5.341 19628 2253 1 7 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.473 0.104 19628 2254 1 7 . 1 1 59 59 ARG C C 59 174.047 174.047 174.522 -0.475 19628 2255 1 7 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.410 -0.451 19628 2256 1 7 . 1 1 59 59 ARG CB C 59 34.241 34.241 31.214 3.027 19628 2257 1 7 . 1 1 60 60 TYR N N 60 117.222 117.222 125.634 -8.412 19628 2258 1 7 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.585 0.818 19628 2259 1 7 . 1 1 60 60 TYR C C 60 176.206 176.206 175.096 1.110 19628 2260 1 7 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.521 -1.265 19628 2261 1 7 . 1 1 60 60 TYR CB C 60 42.214 42.214 38.142 4.072 19628 2262 1 7 . 1 1 61 61 PHE N N 61 117.727 117.727 122.534 -4.807 19628 2263 1 7 . 1 1 61 61 PHE HA H 61 5.294 5.294 4.953 0.341 19628 2264 1 7 . 1 1 61 61 PHE C C 61 174.358 174.358 175.744 -1.386 19628 2265 1 7 . 1 1 61 61 PHE CA C 61 57.123 57.123 57.236 -0.113 19628 2266 1 7 . 1 1 61 61 PHE CB C 61 45.819 45.819 41.741 4.078 19628 2267 1 7 . 1 1 62 62 ILE N N 62 118.711 118.711 117.443 1.268 19628 2268 1 7 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.583 0.531 19628 2269 1 7 . 1 1 62 62 ILE C C 62 174.937 174.937 174.744 0.193 19628 2270 1 7 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.409 0.216 19628 2271 1 7 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.780 -0.606 19628 2272 1 7 . 1 1 63 63 ILE N N 63 125.236 125.236 123.812 1.424 19628 2273 1 7 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.420 0.312 19628 2274 1 7 . 1 1 63 63 ILE C C 63 176.218 176.218 174.019 2.199 19628 2275 1 7 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.379 0.442 19628 2276 1 7 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.770 -0.230 19628 2277 1 7 . 1 1 64 64 HIS N N 64 127.707 127.707 123.598 4.109 19628 2278 1 7 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.576 -0.023 19628 2279 1 7 . 1 1 64 64 HIS C C 64 174.365 174.365 174.414 -0.049 19628 2280 1 7 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.186 -1.647 19628 2281 1 7 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.782 1.983 19628 2282 1 7 . 1 1 65 65 ALA N N 65 131.873 131.873 128.161 3.712 19628 2283 1 7 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.379 0.176 19628 2284 1 7 . 1 1 65 65 ALA C C 65 174.433 174.433 177.398 -2.965 19628 2285 1 7 . 1 1 65 65 ALA CA C 65 50.374 50.374 52.766 -2.392 19628 2286 1 7 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.598 -0.831 19628 2287 1 7 . 1 1 66 66 HIS N N 66 120.753 120.753 118.213 2.540 19628 2288 1 7 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.476 -0.305 19628 2289 1 7 . 1 1 66 66 HIS C C 66 175.249 175.249 175.026 0.223 19628 2290 1 7 . 1 1 66 66 HIS CA C 66 57.499 57.499 57.863 -0.364 19628 2291 1 7 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.300 0.270 19628 2292 1 7 . 1 1 67 67 LYS N N 67 117.601 117.601 120.088 -2.487 19628 2293 1 7 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.571 -0.144 19628 2294 1 7 . 1 1 67 67 LYS C C 67 174.799 174.799 174.962 -0.163 19628 2295 1 7 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.471 -0.403 19628 2296 1 7 . 1 1 67 67 LYS CB C 67 34.784 34.784 33.520 1.264 19628 2297 1 7 . 1 1 68 68 LEU N N 68 127.238 127.238 125.823 1.415 19628 2298 1 7 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.644 -0.197 19628 2299 1 7 . 1 1 68 68 LEU C C 68 175.878 175.878 176.562 -0.684 19628 2300 1 7 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.653 0.811 19628 2301 1 7 . 1 1 68 68 LEU CB C 68 41.572 41.572 43.675 -2.103 19628 2302 1 7 . 1 1 69 69 LEU N N 69 123.968 123.968 124.905 -0.937 19628 2303 1 7 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.437 0.078 19628 2304 1 7 . 1 1 69 69 LEU C C 69 176.630 176.630 176.377 0.253 19628 2305 1 7 . 1 1 69 69 LEU CA C 69 55.204 55.204 55.643 -0.439 19628 2306 1 7 . 1 1 69 69 LEU CB C 69 42.232 42.232 42.379 -0.147 19628 2307 1 7 . 1 1 70 70 ASP N N 70 122.630 122.630 122.720 -0.090 19628 2308 1 7 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.754 0.483 19628 2309 1 7 . 1 1 70 70 ASP CA C 70 49.989 49.989 52.738 -2.749 19628 2310 1 7 . 1 1 70 70 ASP CB C 70 42.502 42.502 41.491 1.011 19628 2311 1 7 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.670 -0.363 19628 2312 1 7 . 1 1 71 71 PRO C C 71 177.095 177.095 176.838 0.257 19628 2313 1 7 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.613 -1.061 19628 2314 1 7 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.388 -1.427 19628 2315 1 7 . 1 1 72 72 SER N N 72 114.226 114.226 115.224 -0.998 19628 2316 1 7 . 1 1 72 72 SER HA H 72 4.455 4.455 4.356 0.099 19628 2317 1 7 . 1 1 72 72 SER C C 72 175.162 175.162 175.862 -0.700 19628 2318 1 7 . 1 1 72 72 SER CA C 72 60.232 60.232 60.168 0.064 19628 2319 1 7 . 1 1 72 72 SER CB C 72 63.899 63.899 63.994 -0.095 19628 2320 1 7 . 1 1 73 73 GLU N N 73 121.971 121.971 120.219 1.752 19628 2321 1 7 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.480 -0.072 19628 2322 1 7 . 1 1 73 73 GLU C C 73 176.312 176.312 176.961 -0.649 19628 2323 1 7 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.335 0.278 19628 2324 1 7 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.578 0.301 19628 2325 1 8 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.509 0.027 19628 2326 1 8 . 1 1 2 2 PRO C C 2 176.988 176.988 176.407 0.581 19628 2327 1 8 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.454 0.878 19628 2328 1 8 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.477 -0.235 19628 2329 1 8 . 1 1 3 3 ASP N N 3 120.121 120.121 118.276 1.845 19628 2330 1 8 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.472 0.154 19628 2331 1 8 . 1 1 3 3 ASP C C 3 176.550 176.550 176.595 -0.045 19628 2332 1 8 . 1 1 3 3 ASP CA C 3 54.584 54.584 55.143 -0.559 19628 2333 1 8 . 1 1 3 3 ASP CB C 3 41.274 41.274 41.115 0.159 19628 2334 1 8 . 1 1 4 4 LYS N N 4 120.298 120.298 121.441 -1.143 19628 2335 1 8 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.320 0.131 19628 2336 1 8 . 1 1 4 4 LYS C C 4 176.439 176.439 176.629 -0.190 19628 2337 1 8 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.734 0.174 19628 2338 1 8 . 1 1 4 4 LYS CB C 4 33.819 33.819 31.990 1.829 19628 2339 1 8 . 1 1 5 5 GLN N N 5 122.085 122.085 123.243 -1.158 19628 2340 1 8 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.165 0.298 19628 2341 1 8 . 1 1 5 5 GLN C C 5 175.305 175.305 176.380 -1.075 19628 2342 1 8 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.011 0.306 19628 2343 1 8 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.516 1.952 19628 2344 1 8 . 1 1 6 6 LEU N N 6 127.607 127.607 122.685 4.922 19628 2345 1 8 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.332 0.441 19628 2346 1 8 . 1 1 6 6 LEU C C 6 176.477 176.477 175.463 1.014 19628 2347 1 8 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.234 -1.165 19628 2348 1 8 . 1 1 6 6 LEU CB C 6 42.540 42.540 41.338 1.202 19628 2349 1 8 . 1 1 7 7 LEU N N 7 124.306 124.306 122.565 1.741 19628 2350 1 8 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.913 -0.326 19628 2351 1 8 . 1 1 7 7 LEU C C 7 176.499 176.499 175.532 0.967 19628 2352 1 8 . 1 1 7 7 LEU CA C 7 57.062 57.062 52.635 4.427 19628 2353 1 8 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.602 -1.036 19628 2354 1 8 . 1 1 8 8 HIS N N 8 124.882 124.882 118.720 6.162 19628 2355 1 8 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.093 0.698 19628 2356 1 8 . 1 1 8 8 HIS CA C 8 55.301 55.301 54.810 0.491 19628 2357 1 8 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.905 3.634 19628 2358 1 8 . 1 1 9 9 ILE N N 9 119.723 119.723 120.008 -0.285 19628 2359 1 8 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.325 1.234 19628 2360 1 8 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.291 -2.281 19628 2361 1 8 . 1 1 9 9 ILE CB C 9 42.600 42.600 39.069 3.531 19628 2362 1 8 . 1 1 10 10 VAL N N 10 124.236 124.236 116.559 7.677 19628 2363 1 8 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.801 0.780 19628 2364 1 8 . 1 1 10 10 VAL CA C 10 61.294 61.294 59.995 1.299 19628 2365 1 8 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.564 1.594 19628 2366 1 8 . 1 1 11 11 VAL N N 11 119.677 119.677 125.473 -5.796 19628 2367 1 8 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.760 0.983 19628 2368 1 8 . 1 1 11 11 VAL CA C 11 58.090 58.090 60.488 -2.398 19628 2369 1 8 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.610 0.981 19628 2370 1 8 . 1 1 12 12 GLY N N 12 107.410 107.410 112.737 -5.327 19628 2371 1 8 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.428 2.139 19628 2372 1 8 . 1 1 13 13 GLY N N 13 103.550 103.550 107.268 -3.718 19628 2373 1 8 . 1 1 13 13 GLY C C 13 172.290 172.290 172.882 -0.592 19628 2374 1 8 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.093 0.928 19628 2375 1 8 . 1 1 14 14 GLU N N 14 118.735 118.735 120.839 -2.104 19628 2376 1 8 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.407 0.200 19628 2377 1 8 . 1 1 14 14 GLU C C 14 177.819 177.819 175.761 2.058 19628 2378 1 8 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.940 -0.452 19628 2379 1 8 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.617 0.384 19628 2380 1 8 . 1 1 15 15 LEU N N 15 125.767 125.767 123.981 1.786 19628 2381 1 8 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.974 -0.102 19628 2382 1 8 . 1 1 15 15 LEU C C 15 178.742 178.742 177.789 0.953 19628 2383 1 8 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.454 0.867 19628 2384 1 8 . 1 1 15 15 LEU CB C 15 42.981 42.981 44.267 -1.286 19628 2385 1 8 . 1 1 16 16 LYS N N 16 120.328 120.328 119.689 0.639 19628 2386 1 8 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.347 -0.190 19628 2387 1 8 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.534 -1.175 19628 2388 1 8 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.251 1.623 19628 2389 1 8 . 1 1 17 17 ASP N N 17 121.541 121.541 116.199 5.342 19628 2390 1 8 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.663 0.201 19628 2391 1 8 . 1 1 17 17 ASP CA C 17 53.484 53.484 53.026 0.458 19628 2392 1 8 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.635 -2.727 19628 2393 1 8 . 1 1 18 18 VAL N N 18 117.413 117.413 116.015 1.398 19628 2394 1 8 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.938 0.395 19628 2395 1 8 . 1 1 18 18 VAL C C 18 175.600 175.600 177.324 -1.724 19628 2396 1 8 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.646 -3.557 19628 2397 1 8 . 1 1 18 18 VAL CB C 18 34.254 34.254 32.064 2.190 19628 2398 1 8 . 1 1 19 19 ALA N N 19 122.852 122.852 122.064 0.788 19628 2399 1 8 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.448 -0.055 19628 2400 1 8 . 1 1 19 19 ALA C C 19 178.737 178.737 178.200 0.537 19628 2401 1 8 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.759 0.182 19628 2402 1 8 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.333 -0.336 19628 2403 1 8 . 1 1 20 20 GLY N N 20 107.686 107.686 107.109 0.577 19628 2404 1 8 . 1 1 20 20 GLY C C 20 173.316 173.316 174.379 -1.063 19628 2405 1 8 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.837 -0.226 19628 2406 1 8 . 1 1 21 21 VAL N N 21 117.897 117.897 122.593 -4.696 19628 2407 1 8 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.754 0.196 19628 2408 1 8 . 1 1 21 21 VAL C C 21 174.804 174.804 175.638 -0.834 19628 2409 1 8 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.316 -0.290 19628 2410 1 8 . 1 1 21 21 VAL CB C 21 32.034 32.034 31.712 0.323 19628 2411 1 8 . 1 1 22 22 GLU N N 22 124.637 124.637 121.132 3.505 19628 2412 1 8 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.216 0.104 19628 2413 1 8 . 1 1 22 22 GLU CA C 22 54.905 54.905 55.165 -0.260 19628 2414 1 8 . 1 1 22 22 GLU CB C 22 32.883 32.883 28.967 3.916 19628 2415 1 8 . 1 1 23 23 PHE N N 23 124.102 124.102 125.147 -1.045 19628 2416 1 8 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.466 0.229 19628 2417 1 8 . 1 1 23 23 PHE C C 23 177.013 177.013 177.069 -0.056 19628 2418 1 8 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.147 0.872 19628 2419 1 8 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.487 0.284 19628 2420 1 8 . 1 1 24 24 ARG N N 24 121.555 121.555 123.970 -2.415 19628 2421 1 8 . 1 1 24 24 ARG HA H 24 3.868 3.868 3.965 -0.097 19628 2422 1 8 . 1 1 24 24 ARG C C 24 176.567 176.567 175.603 0.964 19628 2423 1 8 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.895 0.407 19628 2424 1 8 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.968 -0.113 19628 2425 1 8 . 1 1 25 25 ASP N N 25 116.629 116.629 113.683 2.946 19628 2426 1 8 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.750 0.041 19628 2427 1 8 . 1 1 25 25 ASP C C 25 177.266 177.266 175.483 1.783 19628 2428 1 8 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.684 -0.876 19628 2429 1 8 . 1 1 25 25 ASP CB C 25 41.962 41.962 43.036 -1.074 19628 2430 1 8 . 1 1 26 26 LEU N N 26 125.814 125.814 124.628 1.186 19628 2431 1 8 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.455 -0.499 19628 2432 1 8 . 1 1 26 26 LEU C C 26 178.850 178.850 177.058 1.792 19628 2433 1 8 . 1 1 26 26 LEU CA C 26 57.354 57.354 55.653 1.701 19628 2434 1 8 . 1 1 26 26 LEU CB C 26 40.910 40.910 40.617 0.293 19628 2435 1 8 . 1 1 27 27 SER N N 27 113.793 113.793 114.324 -0.531 19628 2436 1 8 . 1 1 27 27 SER HA H 27 4.454 4.454 4.531 -0.077 19628 2437 1 8 . 1 1 27 27 SER C C 27 175.696 175.696 175.598 0.098 19628 2438 1 8 . 1 1 27 27 SER CA C 27 60.804 60.804 58.393 2.411 19628 2439 1 8 . 1 1 27 27 SER CB C 27 63.311 63.311 63.767 -0.456 19628 2440 1 8 . 1 1 28 28 LYS N N 28 120.122 120.122 121.090 -0.968 19628 2441 1 8 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.319 0.302 19628 2442 1 8 . 1 1 28 28 LYS C C 28 177.281 177.281 176.699 0.582 19628 2443 1 8 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.881 -1.218 19628 2444 1 8 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.720 0.356 19628 2445 1 8 . 1 1 29 29 VAL N N 29 120.916 120.916 117.821 3.095 19628 2446 1 8 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.719 0.154 19628 2447 1 8 . 1 1 29 29 VAL CA C 29 63.625 63.625 62.053 1.572 19628 2448 1 8 . 1 1 29 29 VAL CB C 29 32.440 32.440 30.538 1.901 19628 2449 1 8 . 1 1 30 30 GLU N N 30 127.248 127.248 127.949 -0.701 19628 2450 1 8 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.425 -0.031 19628 2451 1 8 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.053 -0.626 19628 2452 1 8 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.418 1.760 19628 2453 1 8 . 1 1 31 31 PHE N N 31 126.351 126.351 126.974 -0.623 19628 2454 1 8 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.454 0.022 19628 2455 1 8 . 1 1 31 31 PHE CA C 31 56.433 56.433 59.115 -2.682 19628 2456 1 8 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.063 -2.428 19628 2457 1 8 . 1 1 32 32 VAL N N 32 128.354 128.354 123.509 4.845 19628 2458 1 8 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.770 0.097 19628 2459 1 8 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.942 0.078 19628 2460 1 8 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.068 0.006 19628 2461 1 8 . 1 1 33 33 GLY N N 33 107.690 107.690 105.622 2.068 19628 2462 1 8 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.607 1.159 19628 2463 1 8 . 1 1 34 34 ALA N N 34 120.706 120.706 122.200 -1.494 19628 2464 1 8 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.806 0.348 19628 2465 1 8 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.082 -2.263 19628 2466 1 8 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.295 0.567 19628 2467 1 8 . 1 1 35 35 TYR N N 35 115.457 115.457 119.800 -4.343 19628 2468 1 8 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.856 0.087 19628 2469 1 8 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.608 0.719 19628 2470 1 8 . 1 1 35 35 TYR CB C 35 42.558 42.558 41.001 1.557 19628 2471 1 8 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.564 0.096 19628 2472 1 8 . 1 1 36 36 PRO C C 36 174.733 174.733 175.880 -1.147 19628 2473 1 8 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.293 0.646 19628 2474 1 8 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.332 0.035 19628 2475 1 8 . 1 1 37 37 SER N N 37 109.883 109.883 112.626 -2.743 19628 2476 1 8 . 1 1 37 37 SER HA H 37 4.819 4.819 4.609 0.210 19628 2477 1 8 . 1 1 37 37 SER C C 37 173.943 173.943 174.077 -0.134 19628 2478 1 8 . 1 1 37 37 SER CA C 37 56.502 56.502 57.403 -0.901 19628 2479 1 8 . 1 1 37 37 SER CB C 37 66.351 66.351 65.051 1.300 19628 2480 1 8 . 1 1 38 38 TYR N N 38 122.819 122.819 128.334 -5.515 19628 2481 1 8 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.283 -1.232 19628 2482 1 8 . 1 1 38 38 TYR C C 38 177.295 177.295 176.552 0.743 19628 2483 1 8 . 1 1 38 38 TYR CA C 38 62.073 62.073 60.511 1.562 19628 2484 1 8 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.711 -1.047 19628 2485 1 8 . 1 1 39 39 ASP N N 39 116.964 116.964 117.893 -0.929 19628 2486 1 8 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.160 0.061 19628 2487 1 8 . 1 1 39 39 ASP C C 39 179.740 179.740 178.010 1.730 19628 2488 1 8 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.024 0.730 19628 2489 1 8 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.763 0.132 19628 2490 1 8 . 1 1 40 40 GLU N N 40 116.783 116.783 118.674 -1.891 19628 2491 1 8 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.864 0.105 19628 2492 1 8 . 1 1 40 40 GLU C C 40 178.947 178.947 178.076 0.871 19628 2493 1 8 . 1 1 40 40 GLU CA C 40 59.212 59.212 59.015 0.197 19628 2494 1 8 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.758 1.524 19628 2495 1 8 . 1 1 41 41 ALA N N 41 122.522 122.522 121.499 1.023 19628 2496 1 8 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.141 -1.101 19628 2497 1 8 . 1 1 41 41 ALA C C 41 178.474 178.474 179.131 -0.657 19628 2498 1 8 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.784 -0.669 19628 2499 1 8 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.477 0.070 19628 2500 1 8 . 1 1 42 42 HIS N N 42 118.486 118.486 116.823 1.663 19628 2501 1 8 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.231 -0.381 19628 2502 1 8 . 1 1 42 42 HIS C C 42 177.400 177.400 176.979 0.421 19628 2503 1 8 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.041 2.146 19628 2504 1 8 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.575 0.424 19628 2505 1 8 . 1 1 43 43 LYS N N 43 118.483 118.483 118.611 -0.128 19628 2506 1 8 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.294 -0.439 19628 2507 1 8 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.235 2.849 19628 2508 1 8 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.348 0.348 19628 2509 1 8 . 1 1 44 44 ALA N N 44 121.891 121.891 123.213 -1.322 19628 2510 1 8 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.013 -0.046 19628 2511 1 8 . 1 1 44 44 ALA C C 44 180.412 180.412 178.731 1.681 19628 2512 1 8 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.978 -0.273 19628 2513 1 8 . 1 1 44 44 ALA CB C 44 19.059 19.059 18.042 1.017 19628 2514 1 8 . 1 1 45 45 TRP N N 45 119.065 119.065 119.783 -0.718 19628 2515 1 8 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.269 -0.835 19628 2516 1 8 . 1 1 45 45 TRP C C 45 176.748 176.748 177.540 -0.792 19628 2517 1 8 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.108 1.432 19628 2518 1 8 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.115 0.027 19628 2519 1 8 . 1 1 46 46 LYS N N 46 119.011 119.011 119.072 -0.061 19628 2520 1 8 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.190 -0.247 19628 2521 1 8 . 1 1 46 46 LYS C C 46 178.523 178.523 178.126 0.397 19628 2522 1 8 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.154 1.133 19628 2523 1 8 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.360 1.177 19628 2524 1 8 . 1 1 47 47 ALA N N 47 118.189 118.189 121.915 -3.726 19628 2525 1 8 . 1 1 47 47 ALA HA H 47 3.960 3.960 4.052 -0.092 19628 2526 1 8 . 1 1 47 47 ALA C C 47 180.604 180.604 179.049 1.555 19628 2527 1 8 . 1 1 47 47 ALA CA C 47 54.203 54.203 54.636 -0.433 19628 2528 1 8 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.212 -0.045 19628 2529 1 8 . 1 1 48 48 LYS N N 48 116.778 116.778 116.889 -0.111 19628 2530 1 8 . 1 1 48 48 LYS HA H 48 3.760 3.760 4.167 -0.407 19628 2531 1 8 . 1 1 48 48 LYS C C 48 178.378 178.378 178.232 0.146 19628 2532 1 8 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.612 -1.675 19628 2533 1 8 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.653 -2.244 19628 2534 1 8 . 1 1 49 49 ALA N N 49 121.343 121.343 122.585 -1.242 19628 2535 1 8 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.098 -0.338 19628 2536 1 8 . 1 1 49 49 ALA C C 49 180.075 180.075 180.225 -0.150 19628 2537 1 8 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.750 -0.673 19628 2538 1 8 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.259 -0.637 19628 2539 1 8 . 1 1 50 50 GLN N N 50 114.507 114.507 117.360 -2.853 19628 2540 1 8 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.033 0.086 19628 2541 1 8 . 1 1 50 50 GLN C C 50 176.838 176.838 177.459 -0.621 19628 2542 1 8 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.642 -0.999 19628 2543 1 8 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.857 -0.047 19628 2544 1 8 . 1 1 51 51 ALA N N 51 121.078 121.078 122.582 -1.504 19628 2545 1 8 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.261 0.117 19628 2546 1 8 . 1 1 51 51 ALA C C 51 178.394 178.394 178.011 0.383 19628 2547 1 8 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.449 -0.626 19628 2548 1 8 . 1 1 51 51 ALA CB C 51 19.355 19.355 19.192 0.163 19628 2549 1 8 . 1 1 52 52 THR N N 52 111.735 111.735 111.222 0.513 19628 2550 1 8 . 1 1 52 52 THR HA H 52 4.443 4.443 4.400 0.043 19628 2551 1 8 . 1 1 52 52 THR C C 52 175.345 175.345 174.350 0.995 19628 2552 1 8 . 1 1 52 52 THR CA C 52 61.884 61.884 61.642 0.242 19628 2553 1 8 . 1 1 52 52 THR CB C 52 69.455 69.455 69.072 0.383 19628 2554 1 8 . 1 1 53 53 VAL N N 53 120.702 120.702 124.243 -3.541 19628 2555 1 8 . 1 1 53 53 VAL HA H 53 4.135 4.135 4.078 0.057 19628 2556 1 8 . 1 1 53 53 VAL C C 53 176.425 176.425 177.452 -1.027 19628 2557 1 8 . 1 1 53 53 VAL CA C 53 63.005 63.005 63.664 -0.659 19628 2558 1 8 . 1 1 53 53 VAL CB C 53 32.723 32.723 32.666 0.057 19628 2559 1 8 . 1 1 54 54 ASP N N 54 120.122 120.122 122.141 -2.019 19628 2560 1 8 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.357 0.249 19628 2561 1 8 . 1 1 54 54 ASP C C 54 176.471 176.471 177.164 -0.693 19628 2562 1 8 . 1 1 54 54 ASP CA C 54 54.740 54.740 56.837 -2.098 19628 2563 1 8 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.380 0.778 19628 2564 1 8 . 1 1 55 55 ASN N N 55 117.542 117.542 116.494 1.048 19628 2565 1 8 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.619 0.148 19628 2566 1 8 . 1 1 55 55 ASN C C 55 175.457 175.457 175.336 0.121 19628 2567 1 8 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.650 -0.568 19628 2568 1 8 . 1 1 55 55 ASN CB C 55 38.700 38.700 38.691 0.009 19628 2569 1 8 . 1 1 56 56 ALA N N 56 122.962 122.962 122.863 0.099 19628 2570 1 8 . 1 1 56 56 ALA HA H 56 4.307 4.307 3.805 0.502 19628 2571 1 8 . 1 1 56 56 ALA C C 56 178.144 178.144 178.061 0.083 19628 2572 1 8 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.789 -1.600 19628 2573 1 8 . 1 1 56 56 ALA CB C 56 19.270 19.270 16.854 2.416 19628 2574 1 8 . 1 1 57 57 HIS N N 57 114.258 114.258 118.969 -4.711 19628 2575 1 8 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.387 0.331 19628 2576 1 8 . 1 1 57 57 HIS C C 57 174.283 174.283 175.252 -0.969 19628 2577 1 8 . 1 1 57 57 HIS CA C 57 55.538 55.538 55.698 -0.160 19628 2578 1 8 . 1 1 57 57 HIS CB C 57 29.348 29.348 29.781 -0.433 19628 2579 1 8 . 1 1 58 58 ALA N N 58 122.364 122.364 123.581 -1.217 19628 2580 1 8 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.209 0.092 19628 2581 1 8 . 1 1 58 58 ALA C C 58 176.549 176.549 176.823 -0.274 19628 2582 1 8 . 1 1 58 58 ALA CA C 58 52.249 52.249 52.081 0.168 19628 2583 1 8 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.310 1.588 19628 2584 1 8 . 1 1 59 59 ARG N N 59 120.664 120.664 126.036 -5.372 19628 2585 1 8 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.392 0.185 19628 2586 1 8 . 1 1 59 59 ARG C C 59 174.047 174.047 174.273 -0.226 19628 2587 1 8 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.398 -0.439 19628 2588 1 8 . 1 1 59 59 ARG CB C 59 34.241 34.241 30.573 3.668 19628 2589 1 8 . 1 1 60 60 TYR N N 60 117.222 117.222 123.150 -5.928 19628 2590 1 8 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.402 1.001 19628 2591 1 8 . 1 1 60 60 TYR C C 60 176.206 176.206 174.724 1.482 19628 2592 1 8 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.952 -1.696 19628 2593 1 8 . 1 1 60 60 TYR CB C 60 42.214 42.214 38.808 3.406 19628 2594 1 8 . 1 1 61 61 PHE N N 61 117.727 117.727 121.269 -3.542 19628 2595 1 8 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.184 0.110 19628 2596 1 8 . 1 1 61 61 PHE C C 61 174.358 174.358 174.850 -0.492 19628 2597 1 8 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.520 0.603 19628 2598 1 8 . 1 1 61 61 PHE CB C 61 45.819 45.819 43.100 2.719 19628 2599 1 8 . 1 1 62 62 ILE N N 62 118.711 118.711 118.426 0.285 19628 2600 1 8 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.812 0.302 19628 2601 1 8 . 1 1 62 62 ILE C C 62 174.937 174.937 174.993 -0.056 19628 2602 1 8 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.491 0.134 19628 2603 1 8 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.080 0.094 19628 2604 1 8 . 1 1 63 63 ILE N N 63 125.236 125.236 124.034 1.202 19628 2605 1 8 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.422 0.310 19628 2606 1 8 . 1 1 63 63 ILE C C 63 176.218 176.218 174.239 1.979 19628 2607 1 8 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.621 0.200 19628 2608 1 8 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.610 -0.069 19628 2609 1 8 . 1 1 64 64 HIS N N 64 127.707 127.707 122.566 5.141 19628 2610 1 8 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.304 0.249 19628 2611 1 8 . 1 1 64 64 HIS C C 64 174.365 174.365 174.760 -0.395 19628 2612 1 8 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.587 -2.048 19628 2613 1 8 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.927 1.837 19628 2614 1 8 . 1 1 65 65 ALA N N 65 131.873 131.873 126.431 5.442 19628 2615 1 8 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.403 0.152 19628 2616 1 8 . 1 1 65 65 ALA C C 65 174.433 174.433 176.431 -1.998 19628 2617 1 8 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.936 -1.562 19628 2618 1 8 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.811 -1.044 19628 2619 1 8 . 1 1 66 66 HIS N N 66 120.753 120.753 118.817 1.936 19628 2620 1 8 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.567 -0.396 19628 2621 1 8 . 1 1 66 66 HIS C C 66 175.249 175.249 174.183 1.066 19628 2622 1 8 . 1 1 66 66 HIS CA C 66 57.499 57.499 56.459 1.040 19628 2623 1 8 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.880 -0.310 19628 2624 1 8 . 1 1 67 67 LYS N N 67 117.601 117.601 125.429 -7.828 19628 2625 1 8 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.036 0.391 19628 2626 1 8 . 1 1 67 67 LYS C C 67 174.799 174.799 174.638 0.161 19628 2627 1 8 . 1 1 67 67 LYS CA C 67 55.068 55.068 56.798 -1.730 19628 2628 1 8 . 1 1 67 67 LYS CB C 67 34.784 34.784 31.614 3.170 19628 2629 1 8 . 1 1 68 68 LEU N N 68 127.238 127.238 123.488 3.750 19628 2630 1 8 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.529 -0.082 19628 2631 1 8 . 1 1 68 68 LEU C C 68 175.878 175.878 177.979 -2.101 19628 2632 1 8 . 1 1 68 68 LEU CA C 68 54.463 54.463 54.033 0.430 19628 2633 1 8 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.523 -0.951 19628 2634 1 8 . 1 1 69 69 LEU N N 69 123.968 123.968 124.009 -0.041 19628 2635 1 8 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.376 0.139 19628 2636 1 8 . 1 1 69 69 LEU C C 69 176.630 176.630 176.190 0.440 19628 2637 1 8 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.461 0.743 19628 2638 1 8 . 1 1 69 69 LEU CB C 69 42.232 42.232 40.948 1.284 19628 2639 1 8 . 1 1 70 70 ASP N N 70 122.630 122.630 124.418 -1.788 19628 2640 1 8 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.876 0.361 19628 2641 1 8 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.318 -1.329 19628 2642 1 8 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.736 -0.234 19628 2643 1 8 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.318 -0.011 19628 2644 1 8 . 1 1 71 71 PRO C C 71 177.095 177.095 177.235 -0.140 19628 2645 1 8 . 1 1 71 71 PRO CA C 71 62.552 62.552 64.602 -2.050 19628 2646 1 8 . 1 1 71 71 PRO CB C 71 30.961 30.961 31.969 -1.008 19628 2647 1 8 . 1 1 72 72 SER N N 72 114.226 114.226 113.712 0.514 19628 2648 1 8 . 1 1 72 72 SER HA H 72 4.455 4.455 4.260 0.195 19628 2649 1 8 . 1 1 72 72 SER C C 72 175.162 175.162 175.810 -0.648 19628 2650 1 8 . 1 1 72 72 SER CA C 72 60.232 60.232 60.712 -0.480 19628 2651 1 8 . 1 1 72 72 SER CB C 72 63.899 63.899 63.469 0.430 19628 2652 1 8 . 1 1 73 73 GLU N N 73 121.971 121.971 120.468 1.503 19628 2653 1 8 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.368 0.040 19628 2654 1 8 . 1 1 73 73 GLU C C 73 176.312 176.312 177.685 -1.373 19628 2655 1 8 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.644 -0.031 19628 2656 1 8 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.197 0.682 19628 2657 1 9 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.483 0.053 19628 2658 1 9 . 1 1 2 2 PRO C C 2 176.988 176.988 176.507 0.481 19628 2659 1 9 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.322 1.010 19628 2660 1 9 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.378 -0.137 19628 2661 1 9 . 1 1 3 3 ASP N N 3 120.121 120.121 121.844 -1.723 19628 2662 1 9 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.677 -0.051 19628 2663 1 9 . 1 1 3 3 ASP C C 3 176.550 176.550 175.445 1.105 19628 2664 1 9 . 1 1 3 3 ASP CA C 3 54.584 54.584 54.912 -0.328 19628 2665 1 9 . 1 1 3 3 ASP CB C 3 41.274 41.274 39.332 1.942 19628 2666 1 9 . 1 1 4 4 LYS N N 4 120.298 120.298 121.434 -1.136 19628 2667 1 9 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.436 0.015 19628 2668 1 9 . 1 1 4 4 LYS C C 4 176.439 176.439 176.078 0.361 19628 2669 1 9 . 1 1 4 4 LYS CA C 4 55.908 55.908 56.338 -0.430 19628 2670 1 9 . 1 1 4 4 LYS CB C 4 33.819 33.819 32.852 0.967 19628 2671 1 9 . 1 1 5 5 GLN N N 5 122.085 122.085 120.069 2.016 19628 2672 1 9 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.249 0.214 19628 2673 1 9 . 1 1 5 5 GLN C C 5 175.305 175.305 176.211 -0.906 19628 2674 1 9 . 1 1 5 5 GLN CA C 5 56.317 56.317 55.997 0.320 19628 2675 1 9 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.634 1.834 19628 2676 1 9 . 1 1 6 6 LEU N N 6 127.607 127.607 121.253 6.354 19628 2677 1 9 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.278 0.495 19628 2678 1 9 . 1 1 6 6 LEU C C 6 176.477 176.477 175.970 0.507 19628 2679 1 9 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.593 -1.524 19628 2680 1 9 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.529 0.011 19628 2681 1 9 . 1 1 7 7 LEU N N 7 124.306 124.306 122.822 1.484 19628 2682 1 9 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.854 -0.267 19628 2683 1 9 . 1 1 7 7 LEU C C 7 176.499 176.499 175.435 1.064 19628 2684 1 9 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.154 3.909 19628 2685 1 9 . 1 1 7 7 LEU CB C 7 42.566 42.566 44.309 -1.742 19628 2686 1 9 . 1 1 8 8 HIS N N 8 124.882 124.882 119.714 5.168 19628 2687 1 9 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.064 0.727 19628 2688 1 9 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.313 -0.012 19628 2689 1 9 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.774 4.765 19628 2690 1 9 . 1 1 9 9 ILE N N 9 119.723 119.723 120.523 -0.800 19628 2691 1 9 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.587 0.972 19628 2692 1 9 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.346 -2.336 19628 2693 1 9 . 1 1 9 9 ILE CB C 9 42.600 42.600 39.116 3.484 19628 2694 1 9 . 1 1 10 10 VAL N N 10 124.236 124.236 118.322 5.914 19628 2695 1 9 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.813 0.768 19628 2696 1 9 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.105 1.190 19628 2697 1 9 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.095 2.063 19628 2698 1 9 . 1 1 11 11 VAL N N 11 119.677 119.677 118.005 1.672 19628 2699 1 9 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.884 0.859 19628 2700 1 9 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.576 -1.486 19628 2701 1 9 . 1 1 11 11 VAL CB C 11 36.591 36.591 34.855 1.736 19628 2702 1 9 . 1 1 12 12 GLY N N 12 107.410 107.410 109.469 -2.059 19628 2703 1 9 . 1 1 12 12 GLY CA C 12 46.567 46.567 45.095 1.472 19628 2704 1 9 . 1 1 13 13 GLY N N 13 103.550 103.550 107.652 -4.102 19628 2705 1 9 . 1 1 13 13 GLY C C 13 172.290 172.290 172.519 -0.229 19628 2706 1 9 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.157 0.864 19628 2707 1 9 . 1 1 14 14 GLU N N 14 118.735 118.735 121.970 -3.235 19628 2708 1 9 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.356 0.251 19628 2709 1 9 . 1 1 14 14 GLU C C 14 177.819 177.819 176.481 1.338 19628 2710 1 9 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.787 -0.299 19628 2711 1 9 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.230 0.771 19628 2712 1 9 . 1 1 15 15 LEU N N 15 125.767 125.767 125.901 -0.134 19628 2713 1 9 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.689 0.183 19628 2714 1 9 . 1 1 15 15 LEU C C 15 178.742 178.742 176.674 2.068 19628 2715 1 9 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.788 0.533 19628 2716 1 9 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.245 -0.264 19628 2717 1 9 . 1 1 16 16 LYS N N 16 120.328 120.328 117.844 2.484 19628 2718 1 9 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.030 0.127 19628 2719 1 9 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.370 -1.011 19628 2720 1 9 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.013 1.861 19628 2721 1 9 . 1 1 17 17 ASP N N 17 121.541 121.541 115.883 5.658 19628 2722 1 9 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.440 0.424 19628 2723 1 9 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.429 1.055 19628 2724 1 9 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.993 -3.085 19628 2725 1 9 . 1 1 18 18 VAL N N 18 117.413 117.413 116.577 0.836 19628 2726 1 9 . 1 1 18 18 VAL HA H 18 4.333 4.333 4.053 0.280 19628 2727 1 9 . 1 1 18 18 VAL C C 18 175.600 175.600 177.528 -1.928 19628 2728 1 9 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.820 -3.731 19628 2729 1 9 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.802 2.452 19628 2730 1 9 . 1 1 19 19 ALA N N 19 122.852 122.852 121.822 1.030 19628 2731 1 9 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.502 -0.109 19628 2732 1 9 . 1 1 19 19 ALA C C 19 178.737 178.737 178.128 0.609 19628 2733 1 9 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.449 0.492 19628 2734 1 9 . 1 1 19 19 ALA CB C 19 18.997 18.997 18.553 0.444 19628 2735 1 9 . 1 1 20 20 GLY N N 20 107.686 107.686 107.011 0.675 19628 2736 1 9 . 1 1 20 20 GLY C C 20 173.316 173.316 173.968 -0.652 19628 2737 1 9 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.711 -0.100 19628 2738 1 9 . 1 1 21 21 VAL N N 21 117.897 117.897 117.286 0.611 19628 2739 1 9 . 1 1 21 21 VAL HA H 21 3.950 3.950 4.238 -0.288 19628 2740 1 9 . 1 1 21 21 VAL C C 21 174.804 174.804 174.790 0.014 19628 2741 1 9 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.981 0.046 19628 2742 1 9 . 1 1 21 21 VAL CB C 21 32.034 32.034 32.781 -0.747 19628 2743 1 9 . 1 1 22 22 GLU N N 22 124.637 124.637 120.257 4.380 19628 2744 1 9 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.035 0.285 19628 2745 1 9 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.721 0.184 19628 2746 1 9 . 1 1 22 22 GLU CB C 22 32.883 32.883 29.821 3.062 19628 2747 1 9 . 1 1 23 23 PHE N N 23 124.102 124.102 123.096 1.006 19628 2748 1 9 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.445 0.250 19628 2749 1 9 . 1 1 23 23 PHE C C 23 177.013 177.013 176.985 0.028 19628 2750 1 9 . 1 1 23 23 PHE CA C 23 59.019 59.019 57.270 1.749 19628 2751 1 9 . 1 1 23 23 PHE CB C 23 38.771 38.771 39.025 -0.254 19628 2752 1 9 . 1 1 24 24 ARG N N 24 121.555 121.555 123.408 -1.853 19628 2753 1 9 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.011 -0.143 19628 2754 1 9 . 1 1 24 24 ARG C C 24 176.567 176.567 176.017 0.550 19628 2755 1 9 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.565 0.737 19628 2756 1 9 . 1 1 24 24 ARG CB C 24 30.855 30.855 31.038 -0.183 19628 2757 1 9 . 1 1 25 25 ASP N N 25 116.629 116.629 112.893 3.736 19628 2758 1 9 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.760 0.031 19628 2759 1 9 . 1 1 25 25 ASP C C 25 177.266 177.266 176.775 0.491 19628 2760 1 9 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.538 -0.730 19628 2761 1 9 . 1 1 25 25 ASP CB C 25 41.962 41.962 43.153 -1.191 19628 2762 1 9 . 1 1 26 26 LEU N N 26 125.814 125.814 124.872 0.942 19628 2763 1 9 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.322 -0.366 19628 2764 1 9 . 1 1 26 26 LEU C C 26 178.850 178.850 177.403 1.447 19628 2765 1 9 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.219 1.135 19628 2766 1 9 . 1 1 26 26 LEU CB C 26 40.910 40.910 40.716 0.194 19628 2767 1 9 . 1 1 27 27 SER N N 27 113.793 113.793 114.030 -0.237 19628 2768 1 9 . 1 1 27 27 SER HA H 27 4.454 4.454 4.440 0.014 19628 2769 1 9 . 1 1 27 27 SER C C 27 175.696 175.696 175.518 0.178 19628 2770 1 9 . 1 1 27 27 SER CA C 27 60.804 60.804 59.011 1.793 19628 2771 1 9 . 1 1 27 27 SER CB C 27 63.311 63.311 63.762 -0.451 19628 2772 1 9 . 1 1 28 28 LYS N N 28 120.122 120.122 120.385 -0.263 19628 2773 1 9 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.380 0.241 19628 2774 1 9 . 1 1 28 28 LYS C C 28 177.281 177.281 176.249 1.032 19628 2775 1 9 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.183 -0.520 19628 2776 1 9 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.409 0.667 19628 2777 1 9 . 1 1 29 29 VAL N N 29 120.916 120.916 115.837 5.079 19628 2778 1 9 . 1 1 29 29 VAL HA H 29 3.873 3.873 4.044 -0.171 19628 2779 1 9 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.062 3.563 19628 2780 1 9 . 1 1 29 29 VAL CB C 29 32.440 32.440 31.959 0.481 19628 2781 1 9 . 1 1 30 30 GLU N N 30 127.248 127.248 127.273 -0.025 19628 2782 1 9 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.389 0.005 19628 2783 1 9 . 1 1 30 30 GLU CA C 30 54.427 54.427 54.991 -0.564 19628 2784 1 9 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.393 1.784 19628 2785 1 9 . 1 1 31 31 PHE N N 31 126.351 126.351 125.400 0.951 19628 2786 1 9 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.463 0.013 19628 2787 1 9 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.889 -2.456 19628 2788 1 9 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.511 -2.876 19628 2789 1 9 . 1 1 32 32 VAL N N 32 128.354 128.354 124.057 4.297 19628 2790 1 9 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.809 0.058 19628 2791 1 9 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.971 0.049 19628 2792 1 9 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.118 -0.044 19628 2793 1 9 . 1 1 33 33 GLY N N 33 107.690 107.690 105.526 2.164 19628 2794 1 9 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.573 1.193 19628 2795 1 9 . 1 1 34 34 ALA N N 34 120.706 120.706 121.829 -1.123 19628 2796 1 9 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.867 0.287 19628 2797 1 9 . 1 1 34 34 ALA CA C 34 49.819 49.819 51.753 -1.934 19628 2798 1 9 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.403 0.459 19628 2799 1 9 . 1 1 35 35 TYR N N 35 115.457 115.457 119.477 -4.020 19628 2800 1 9 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.861 0.082 19628 2801 1 9 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.503 0.824 19628 2802 1 9 . 1 1 35 35 TYR CB C 35 42.558 42.558 41.041 1.516 19628 2803 1 9 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.433 0.227 19628 2804 1 9 . 1 1 36 36 PRO C C 36 174.733 174.733 175.705 -0.972 19628 2805 1 9 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.458 0.481 19628 2806 1 9 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.389 -0.022 19628 2807 1 9 . 1 1 37 37 SER N N 37 109.883 109.883 111.895 -2.012 19628 2808 1 9 . 1 1 37 37 SER HA H 37 4.819 4.819 4.690 0.129 19628 2809 1 9 . 1 1 37 37 SER C C 37 173.943 173.943 173.963 -0.020 19628 2810 1 9 . 1 1 37 37 SER CA C 37 56.502 56.502 56.895 -0.393 19628 2811 1 9 . 1 1 37 37 SER CB C 37 66.351 66.351 66.028 0.324 19628 2812 1 9 . 1 1 38 38 TYR N N 38 122.819 122.819 125.949 -3.130 19628 2813 1 9 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.182 -1.131 19628 2814 1 9 . 1 1 38 38 TYR C C 38 177.295 177.295 177.092 0.203 19628 2815 1 9 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.985 0.088 19628 2816 1 9 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.587 -0.923 19628 2817 1 9 . 1 1 39 39 ASP N N 39 116.964 116.964 116.939 0.025 19628 2818 1 9 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.178 0.043 19628 2819 1 9 . 1 1 39 39 ASP C C 39 179.740 179.740 178.182 1.558 19628 2820 1 9 . 1 1 39 39 ASP CA C 39 57.754 57.754 56.952 0.802 19628 2821 1 9 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.364 0.531 19628 2822 1 9 . 1 1 40 40 GLU N N 40 116.783 116.783 118.929 -2.146 19628 2823 1 9 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.957 0.012 19628 2824 1 9 . 1 1 40 40 GLU C C 40 178.947 178.947 178.321 0.626 19628 2825 1 9 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.830 0.382 19628 2826 1 9 . 1 1 40 40 GLU CB C 40 30.282 30.282 29.017 1.264 19628 2827 1 9 . 1 1 41 41 ALA N N 41 122.522 122.522 121.703 0.819 19628 2828 1 9 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.001 -0.961 19628 2829 1 9 . 1 1 41 41 ALA C C 41 178.474 178.474 179.209 -0.735 19628 2830 1 9 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.734 -0.619 19628 2831 1 9 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.378 0.170 19628 2832 1 9 . 1 1 42 42 HIS N N 42 118.486 118.486 117.135 1.351 19628 2833 1 9 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.136 -0.286 19628 2834 1 9 . 1 1 42 42 HIS C C 42 177.400 177.400 177.150 0.250 19628 2835 1 9 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.386 1.801 19628 2836 1 9 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.603 0.396 19628 2837 1 9 . 1 1 43 43 LYS N N 43 118.483 118.483 118.744 -0.261 19628 2838 1 9 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.255 -0.400 19628 2839 1 9 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.830 2.254 19628 2840 1 9 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.323 0.373 19628 2841 1 9 . 1 1 44 44 ALA N N 44 121.891 121.891 122.797 -0.906 19628 2842 1 9 . 1 1 44 44 ALA HA H 44 3.967 3.967 3.975 -0.008 19628 2843 1 9 . 1 1 44 44 ALA C C 44 180.412 180.412 178.723 1.689 19628 2844 1 9 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.857 -0.152 19628 2845 1 9 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.874 1.185 19628 2846 1 9 . 1 1 45 45 TRP N N 45 119.065 119.065 120.009 -0.944 19628 2847 1 9 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.234 -0.800 19628 2848 1 9 . 1 1 45 45 TRP C C 45 176.748 176.748 177.561 -0.813 19628 2849 1 9 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.050 1.490 19628 2850 1 9 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.032 0.110 19628 2851 1 9 . 1 1 46 46 LYS N N 46 119.011 119.011 119.254 -0.243 19628 2852 1 9 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.110 -0.167 19628 2853 1 9 . 1 1 46 46 LYS C C 46 178.523 178.523 178.186 0.337 19628 2854 1 9 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.393 0.894 19628 2855 1 9 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.433 1.104 19628 2856 1 9 . 1 1 47 47 ALA N N 47 118.189 118.189 121.963 -3.774 19628 2857 1 9 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.973 -0.013 19628 2858 1 9 . 1 1 47 47 ALA C C 47 180.604 180.604 180.033 0.571 19628 2859 1 9 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.085 -0.882 19628 2860 1 9 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.122 0.045 19628 2861 1 9 . 1 1 48 48 LYS N N 48 116.778 116.778 117.871 -1.093 19628 2862 1 9 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.958 -0.198 19628 2863 1 9 . 1 1 48 48 LYS C C 48 178.378 178.378 178.483 -0.105 19628 2864 1 9 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.838 -1.901 19628 2865 1 9 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.005 -1.596 19628 2866 1 9 . 1 1 49 49 ALA N N 49 121.343 121.343 122.144 -0.801 19628 2867 1 9 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.078 -0.318 19628 2868 1 9 . 1 1 49 49 ALA C C 49 180.075 180.075 178.936 1.139 19628 2869 1 9 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.535 -0.458 19628 2870 1 9 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.182 -0.560 19628 2871 1 9 . 1 1 50 50 GLN N N 50 114.507 114.507 116.095 -1.588 19628 2872 1 9 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.080 0.039 19628 2873 1 9 . 1 1 50 50 GLN C C 50 176.838 176.838 178.543 -1.705 19628 2874 1 9 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.846 -1.203 19628 2875 1 9 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.943 -0.133 19628 2876 1 9 . 1 1 51 51 ALA N N 51 121.078 121.078 121.895 -0.817 19628 2877 1 9 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.143 0.235 19628 2878 1 9 . 1 1 51 51 ALA C C 51 178.394 178.394 178.829 -0.435 19628 2879 1 9 . 1 1 51 51 ALA CA C 51 52.823 52.823 54.581 -1.758 19628 2880 1 9 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.610 0.745 19628 2881 1 9 . 1 1 52 52 THR N N 52 111.735 111.735 110.220 1.515 19628 2882 1 9 . 1 1 52 52 THR HA H 52 4.443 4.443 4.424 0.019 19628 2883 1 9 . 1 1 52 52 THR C C 52 175.345 175.345 174.962 0.383 19628 2884 1 9 . 1 1 52 52 THR CA C 52 61.884 61.884 61.285 0.599 19628 2885 1 9 . 1 1 52 52 THR CB C 52 69.455 69.455 68.454 1.001 19628 2886 1 9 . 1 1 53 53 VAL N N 53 120.702 120.702 120.976 -0.274 19628 2887 1 9 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.799 0.336 19628 2888 1 9 . 1 1 53 53 VAL C C 53 176.425 176.425 176.758 -0.333 19628 2889 1 9 . 1 1 53 53 VAL CA C 53 63.005 63.005 65.111 -2.106 19628 2890 1 9 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.686 1.037 19628 2891 1 9 . 1 1 54 54 ASP N N 54 120.122 120.122 119.285 0.837 19628 2892 1 9 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.401 0.205 19628 2893 1 9 . 1 1 54 54 ASP C C 54 176.471 176.471 176.033 0.438 19628 2894 1 9 . 1 1 54 54 ASP CA C 54 54.740 54.740 56.081 -1.341 19628 2895 1 9 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.169 -0.011 19628 2896 1 9 . 1 1 55 55 ASN N N 55 117.542 117.542 116.759 0.783 19628 2897 1 9 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.670 0.097 19628 2898 1 9 . 1 1 55 55 ASN C C 55 175.457 175.457 174.364 1.093 19628 2899 1 9 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.303 -0.221 19628 2900 1 9 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.816 -1.117 19628 2901 1 9 . 1 1 56 56 ALA N N 56 122.962 122.962 124.856 -1.894 19628 2902 1 9 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.286 0.021 19628 2903 1 9 . 1 1 56 56 ALA C C 56 178.144 178.144 176.540 1.604 19628 2904 1 9 . 1 1 56 56 ALA CA C 56 53.189 53.189 51.806 1.383 19628 2905 1 9 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.459 -0.189 19628 2906 1 9 . 1 1 57 57 HIS N N 57 114.258 114.258 116.400 -2.142 19628 2907 1 9 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.101 0.617 19628 2908 1 9 . 1 1 57 57 HIS C C 57 174.283 174.283 174.329 -0.046 19628 2909 1 9 . 1 1 57 57 HIS CA C 57 55.538 55.538 56.555 -1.017 19628 2910 1 9 . 1 1 57 57 HIS CB C 57 29.348 29.348 27.999 1.349 19628 2911 1 9 . 1 1 58 58 ALA N N 58 122.364 122.364 122.328 0.036 19628 2912 1 9 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.564 -0.263 19628 2913 1 9 . 1 1 58 58 ALA C C 58 176.549 176.549 177.318 -0.769 19628 2914 1 9 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.807 0.442 19628 2915 1 9 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.957 0.941 19628 2916 1 9 . 1 1 59 59 ARG N N 59 120.664 120.664 124.379 -3.715 19628 2917 1 9 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.612 -0.035 19628 2918 1 9 . 1 1 59 59 ARG C C 59 174.047 174.047 174.700 -0.653 19628 2919 1 9 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.911 0.048 19628 2920 1 9 . 1 1 59 59 ARG CB C 59 34.241 34.241 32.176 2.065 19628 2921 1 9 . 1 1 60 60 TYR N N 60 117.222 117.222 123.152 -5.930 19628 2922 1 9 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.654 0.749 19628 2923 1 9 . 1 1 60 60 TYR C C 60 176.206 176.206 174.778 1.428 19628 2924 1 9 . 1 1 60 60 TYR CA C 60 57.256 57.256 57.977 -0.722 19628 2925 1 9 . 1 1 60 60 TYR CB C 60 42.214 42.214 39.431 2.783 19628 2926 1 9 . 1 1 61 61 PHE N N 61 117.727 117.727 121.814 -4.087 19628 2927 1 9 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.123 0.171 19628 2928 1 9 . 1 1 61 61 PHE C C 61 174.358 174.358 175.334 -0.976 19628 2929 1 9 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.691 0.432 19628 2930 1 9 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.490 3.329 19628 2931 1 9 . 1 1 62 62 ILE N N 62 118.711 118.711 117.833 0.878 19628 2932 1 9 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.834 0.280 19628 2933 1 9 . 1 1 62 62 ILE C C 62 174.937 174.937 174.958 -0.021 19628 2934 1 9 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.617 0.008 19628 2935 1 9 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.545 -0.371 19628 2936 1 9 . 1 1 63 63 ILE N N 63 125.236 125.236 123.452 1.784 19628 2937 1 9 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.597 0.135 19628 2938 1 9 . 1 1 63 63 ILE C C 63 176.218 176.218 174.364 1.854 19628 2939 1 9 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.633 0.188 19628 2940 1 9 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.556 -0.015 19628 2941 1 9 . 1 1 64 64 HIS N N 64 127.707 127.707 120.979 6.728 19628 2942 1 9 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.383 0.170 19628 2943 1 9 . 1 1 64 64 HIS C C 64 174.365 174.365 174.930 -0.565 19628 2944 1 9 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.619 -2.080 19628 2945 1 9 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.908 1.857 19628 2946 1 9 . 1 1 65 65 ALA N N 65 131.873 131.873 128.433 3.440 19628 2947 1 9 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.388 0.167 19628 2948 1 9 . 1 1 65 65 ALA C C 65 174.433 174.433 176.809 -2.376 19628 2949 1 9 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.993 -1.619 19628 2950 1 9 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.274 -0.507 19628 2951 1 9 . 1 1 66 66 HIS N N 66 120.753 120.753 118.210 2.543 19628 2952 1 9 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.515 -0.344 19628 2953 1 9 . 1 1 66 66 HIS C C 66 175.249 175.249 175.021 0.228 19628 2954 1 9 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.079 -0.580 19628 2955 1 9 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.790 -0.220 19628 2956 1 9 . 1 1 67 67 LYS N N 67 117.601 117.601 121.235 -3.634 19628 2957 1 9 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.384 0.043 19628 2958 1 9 . 1 1 67 67 LYS C C 67 174.799 174.799 175.640 -0.841 19628 2959 1 9 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.788 -0.721 19628 2960 1 9 . 1 1 67 67 LYS CB C 67 34.784 34.784 32.149 2.635 19628 2961 1 9 . 1 1 68 68 LEU N N 68 127.238 127.238 125.626 1.612 19628 2962 1 9 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.596 -0.149 19628 2963 1 9 . 1 1 68 68 LEU C C 68 175.878 175.878 177.024 -1.146 19628 2964 1 9 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.883 0.581 19628 2965 1 9 . 1 1 68 68 LEU CB C 68 41.572 41.572 43.972 -2.400 19628 2966 1 9 . 1 1 69 69 LEU N N 69 123.968 123.968 125.411 -1.443 19628 2967 1 9 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.437 0.078 19628 2968 1 9 . 1 1 69 69 LEU C C 69 176.630 176.630 176.627 0.003 19628 2969 1 9 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.182 1.022 19628 2970 1 9 . 1 1 69 69 LEU CB C 69 42.232 42.232 40.719 1.513 19628 2971 1 9 . 1 1 70 70 ASP N N 70 122.630 122.630 124.074 -1.444 19628 2972 1 9 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.809 0.428 19628 2973 1 9 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.754 -1.765 19628 2974 1 9 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.443 0.059 19628 2975 1 9 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.307 -0.000 19628 2976 1 9 . 1 1 71 71 PRO C C 71 177.095 177.095 177.955 -0.860 19628 2977 1 9 . 1 1 71 71 PRO CA C 71 62.552 62.552 64.539 -1.987 19628 2978 1 9 . 1 1 71 71 PRO CB C 71 30.961 30.961 31.824 -0.863 19628 2979 1 9 . 1 1 72 72 SER N N 72 114.226 114.226 114.023 0.203 19628 2980 1 9 . 1 1 72 72 SER HA H 72 4.455 4.455 4.269 0.186 19628 2981 1 9 . 1 1 72 72 SER C C 72 175.162 175.162 175.708 -0.546 19628 2982 1 9 . 1 1 72 72 SER CA C 72 60.232 60.232 60.662 -0.430 19628 2983 1 9 . 1 1 72 72 SER CB C 72 63.899 63.899 63.209 0.690 19628 2984 1 9 . 1 1 73 73 GLU N N 73 121.971 121.971 121.110 0.861 19628 2985 1 9 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.395 0.013 19628 2986 1 9 . 1 1 73 73 GLU C C 73 176.312 176.312 177.233 -0.921 19628 2987 1 9 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.604 0.009 19628 2988 1 9 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.640 0.239 19628 2989 1 10 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.668 -0.132 19628 2990 1 10 . 1 1 2 2 PRO C C 2 176.988 176.988 175.712 1.276 19628 2991 1 10 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.471 0.861 19628 2992 1 10 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.722 -0.481 19628 2993 1 10 . 1 1 3 3 ASP N N 3 120.121 120.121 120.145 -0.024 19628 2994 1 10 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.650 -0.024 19628 2995 1 10 . 1 1 3 3 ASP C C 3 176.550 176.550 175.242 1.308 19628 2996 1 10 . 1 1 3 3 ASP CA C 3 54.584 54.584 54.304 0.280 19628 2997 1 10 . 1 1 3 3 ASP CB C 3 41.274 41.274 39.965 1.310 19628 2998 1 10 . 1 1 4 4 LYS N N 4 120.298 120.298 123.738 -3.440 19628 2999 1 10 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.433 0.018 19628 3000 1 10 . 1 1 4 4 LYS C C 4 176.439 176.439 176.001 0.438 19628 3001 1 10 . 1 1 4 4 LYS CA C 4 55.908 55.908 56.421 -0.513 19628 3002 1 10 . 1 1 4 4 LYS CB C 4 33.819 33.819 33.673 0.146 19628 3003 1 10 . 1 1 5 5 GLN N N 5 122.085 122.085 122.820 -0.735 19628 3004 1 10 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.201 0.262 19628 3005 1 10 . 1 1 5 5 GLN C C 5 175.305 175.305 176.007 -0.702 19628 3006 1 10 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.612 -0.295 19628 3007 1 10 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.795 1.673 19628 3008 1 10 . 1 1 6 6 LEU N N 6 127.607 127.607 121.350 6.257 19628 3009 1 10 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.304 0.469 19628 3010 1 10 . 1 1 6 6 LEU C C 6 176.477 176.477 175.851 0.626 19628 3011 1 10 . 1 1 6 6 LEU CA C 6 54.069 54.069 54.845 -0.776 19628 3012 1 10 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.761 -0.222 19628 3013 1 10 . 1 1 7 7 LEU N N 7 124.306 124.306 120.731 3.575 19628 3014 1 10 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.873 -0.286 19628 3015 1 10 . 1 1 7 7 LEU C C 7 176.499 176.499 175.062 1.437 19628 3016 1 10 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.005 4.057 19628 3017 1 10 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.233 -0.667 19628 3018 1 10 . 1 1 8 8 HIS N N 8 124.882 124.882 119.640 5.242 19628 3019 1 10 . 1 1 8 8 HIS HA H 8 5.791 5.791 4.913 0.878 19628 3020 1 10 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.131 0.170 19628 3021 1 10 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.477 5.062 19628 3022 1 10 . 1 1 9 9 ILE N N 9 119.723 119.723 120.119 -0.396 19628 3023 1 10 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.242 1.317 19628 3024 1 10 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.972 -2.962 19628 3025 1 10 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.808 3.792 19628 3026 1 10 . 1 1 10 10 VAL N N 10 124.236 124.236 117.724 6.512 19628 3027 1 10 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.778 0.803 19628 3028 1 10 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.605 0.688 19628 3029 1 10 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.330 1.828 19628 3030 1 10 . 1 1 11 11 VAL N N 11 119.677 119.677 121.133 -1.456 19628 3031 1 10 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.675 1.068 19628 3032 1 10 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.820 -1.730 19628 3033 1 10 . 1 1 11 11 VAL CB C 11 36.591 36.591 34.722 1.869 19628 3034 1 10 . 1 1 12 12 GLY N N 12 107.410 107.410 109.585 -2.175 19628 3035 1 10 . 1 1 12 12 GLY CA C 12 46.567 46.567 43.973 2.594 19628 3036 1 10 . 1 1 13 13 GLY N N 13 103.550 103.550 105.988 -2.438 19628 3037 1 10 . 1 1 13 13 GLY C C 13 172.290 172.290 172.469 -0.179 19628 3038 1 10 . 1 1 13 13 GLY CA C 13 45.021 45.021 45.255 -0.234 19628 3039 1 10 . 1 1 14 14 GLU N N 14 118.735 118.735 121.055 -2.320 19628 3040 1 10 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.557 0.050 19628 3041 1 10 . 1 1 14 14 GLU C C 14 177.819 177.819 176.367 1.452 19628 3042 1 10 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.635 -0.147 19628 3043 1 10 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.469 0.532 19628 3044 1 10 . 1 1 15 15 LEU N N 15 125.767 125.767 124.301 1.466 19628 3045 1 10 . 1 1 15 15 LEU HA H 15 4.872 4.872 5.026 -0.154 19628 3046 1 10 . 1 1 15 15 LEU C C 15 178.742 178.742 178.303 0.439 19628 3047 1 10 . 1 1 15 15 LEU CA C 15 54.321 54.321 52.930 1.391 19628 3048 1 10 . 1 1 15 15 LEU CB C 15 42.981 42.981 42.856 0.125 19628 3049 1 10 . 1 1 16 16 LYS N N 16 120.328 120.328 120.714 -0.386 19628 3050 1 10 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.274 -0.117 19628 3051 1 10 . 1 1 16 16 LYS CA C 16 57.359 57.359 59.007 -1.648 19628 3052 1 10 . 1 1 16 16 LYS CB C 16 34.874 34.874 32.902 1.972 19628 3053 1 10 . 1 1 17 17 ASP N N 17 121.541 121.541 118.098 3.443 19628 3054 1 10 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.525 0.339 19628 3055 1 10 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.922 0.562 19628 3056 1 10 . 1 1 17 17 ASP CB C 17 40.908 40.908 42.327 -1.419 19628 3057 1 10 . 1 1 18 18 VAL N N 18 117.413 117.413 115.284 2.129 19628 3058 1 10 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.559 0.774 19628 3059 1 10 . 1 1 18 18 VAL C C 18 175.600 175.600 176.100 -0.500 19628 3060 1 10 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.464 -3.375 19628 3061 1 10 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.990 2.264 19628 3062 1 10 . 1 1 19 19 ALA N N 19 122.852 122.852 120.485 2.367 19628 3063 1 10 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.593 -0.200 19628 3064 1 10 . 1 1 19 19 ALA C C 19 178.737 178.737 178.267 0.470 19628 3065 1 10 . 1 1 19 19 ALA CA C 19 52.941 52.941 51.597 1.344 19628 3066 1 10 . 1 1 19 19 ALA CB C 19 18.997 18.997 20.650 -1.653 19628 3067 1 10 . 1 1 20 20 GLY N N 20 107.686 107.686 109.290 -1.604 19628 3068 1 10 . 1 1 20 20 GLY C C 20 173.316 173.316 174.073 -0.757 19628 3069 1 10 . 1 1 20 20 GLY CA C 20 44.611 44.611 45.119 -0.508 19628 3070 1 10 . 1 1 21 21 VAL N N 21 117.897 117.897 124.758 -6.861 19628 3071 1 10 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.924 0.026 19628 3072 1 10 . 1 1 21 21 VAL C C 21 174.804 174.804 174.964 -0.160 19628 3073 1 10 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.553 -0.526 19628 3074 1 10 . 1 1 21 21 VAL CB C 21 32.034 32.034 30.630 1.404 19628 3075 1 10 . 1 1 22 22 GLU N N 22 124.637 124.637 124.547 0.090 19628 3076 1 10 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.294 0.026 19628 3077 1 10 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.681 0.224 19628 3078 1 10 . 1 1 22 22 GLU CB C 22 32.883 32.883 32.313 0.570 19628 3079 1 10 . 1 1 23 23 PHE N N 23 124.102 124.102 124.100 0.002 19628 3080 1 10 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.802 -0.107 19628 3081 1 10 . 1 1 23 23 PHE C C 23 177.013 177.013 177.004 0.009 19628 3082 1 10 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.174 0.845 19628 3083 1 10 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.457 0.314 19628 3084 1 10 . 1 1 24 24 ARG N N 24 121.555 121.555 124.500 -2.945 19628 3085 1 10 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.120 -0.252 19628 3086 1 10 . 1 1 24 24 ARG C C 24 176.567 176.567 176.260 0.307 19628 3087 1 10 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.155 1.147 19628 3088 1 10 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.947 -0.092 19628 3089 1 10 . 1 1 25 25 ASP N N 25 116.629 116.629 116.631 -0.002 19628 3090 1 10 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.799 -0.008 19628 3091 1 10 . 1 1 25 25 ASP C C 25 177.266 177.266 174.942 2.324 19628 3092 1 10 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.394 -0.586 19628 3093 1 10 . 1 1 25 25 ASP CB C 25 41.962 41.962 43.857 -1.895 19628 3094 1 10 . 1 1 26 26 LEU N N 26 125.814 125.814 121.961 3.853 19628 3095 1 10 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.242 -0.286 19628 3096 1 10 . 1 1 26 26 LEU C C 26 178.850 178.850 178.323 0.527 19628 3097 1 10 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.355 0.999 19628 3098 1 10 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.882 -0.972 19628 3099 1 10 . 1 1 27 27 SER N N 27 113.793 113.793 113.104 0.689 19628 3100 1 10 . 1 1 27 27 SER HA H 27 4.454 4.454 4.267 0.187 19628 3101 1 10 . 1 1 27 27 SER C C 27 175.696 175.696 175.343 0.353 19628 3102 1 10 . 1 1 27 27 SER CA C 27 60.804 60.804 60.101 0.703 19628 3103 1 10 . 1 1 27 27 SER CB C 27 63.311 63.311 63.032 0.279 19628 3104 1 10 . 1 1 28 28 LYS N N 28 120.122 120.122 119.123 0.999 19628 3105 1 10 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.381 0.240 19628 3106 1 10 . 1 1 28 28 LYS C C 28 177.281 177.281 176.298 0.983 19628 3107 1 10 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.556 -0.893 19628 3108 1 10 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.260 0.816 19628 3109 1 10 . 1 1 29 29 VAL N N 29 120.916 120.916 120.849 0.067 19628 3110 1 10 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.795 0.078 19628 3111 1 10 . 1 1 29 29 VAL CA C 29 63.625 63.625 61.818 1.807 19628 3112 1 10 . 1 1 29 29 VAL CB C 29 32.440 32.440 29.673 2.767 19628 3113 1 10 . 1 1 30 30 GLU N N 30 127.248 127.248 127.947 -0.699 19628 3114 1 10 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.341 0.053 19628 3115 1 10 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.508 -1.081 19628 3116 1 10 . 1 1 30 30 GLU CB C 30 32.178 32.178 29.934 2.244 19628 3117 1 10 . 1 1 31 31 PHE N N 31 126.351 126.351 125.938 0.413 19628 3118 1 10 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.476 -0.000 19628 3119 1 10 . 1 1 31 31 PHE CA C 31 56.433 56.433 59.306 -2.873 19628 3120 1 10 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.798 -3.163 19628 3121 1 10 . 1 1 32 32 VAL N N 32 128.354 128.354 124.952 3.402 19628 3122 1 10 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.962 -0.095 19628 3123 1 10 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.420 0.600 19628 3124 1 10 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.409 -0.335 19628 3125 1 10 . 1 1 33 33 GLY N N 33 107.690 107.690 106.195 1.495 19628 3126 1 10 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.554 1.212 19628 3127 1 10 . 1 1 34 34 ALA N N 34 120.706 120.706 120.826 -0.120 19628 3128 1 10 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.969 0.185 19628 3129 1 10 . 1 1 34 34 ALA CA C 34 49.819 49.819 51.860 -2.041 19628 3130 1 10 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.165 0.697 19628 3131 1 10 . 1 1 35 35 TYR N N 35 115.457 115.457 120.221 -4.764 19628 3132 1 10 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.918 0.025 19628 3133 1 10 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.402 0.925 19628 3134 1 10 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.473 2.085 19628 3135 1 10 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.382 0.278 19628 3136 1 10 . 1 1 36 36 PRO C C 36 174.733 174.733 176.027 -1.294 19628 3137 1 10 . 1 1 36 36 PRO CA C 36 63.939 63.939 64.196 -0.257 19628 3138 1 10 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.699 -0.332 19628 3139 1 10 . 1 1 37 37 SER N N 37 109.883 109.883 109.952 -0.069 19628 3140 1 10 . 1 1 37 37 SER HA H 37 4.819 4.819 4.588 0.231 19628 3141 1 10 . 1 1 37 37 SER C C 37 173.943 173.943 174.205 -0.262 19628 3142 1 10 . 1 1 37 37 SER CA C 37 56.502 56.502 56.464 0.038 19628 3143 1 10 . 1 1 37 37 SER CB C 37 66.351 66.351 64.840 1.511 19628 3144 1 10 . 1 1 38 38 TYR N N 38 122.819 122.819 124.942 -2.123 19628 3145 1 10 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.348 -1.297 19628 3146 1 10 . 1 1 38 38 TYR C C 38 177.295 177.295 176.685 0.610 19628 3147 1 10 . 1 1 38 38 TYR CA C 38 62.073 62.073 60.707 1.366 19628 3148 1 10 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.635 -0.971 19628 3149 1 10 . 1 1 39 39 ASP N N 39 116.964 116.964 118.169 -1.205 19628 3150 1 10 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.087 0.134 19628 3151 1 10 . 1 1 39 39 ASP C C 39 179.740 179.740 178.054 1.686 19628 3152 1 10 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.075 0.679 19628 3153 1 10 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.339 0.556 19628 3154 1 10 . 1 1 40 40 GLU N N 40 116.783 116.783 118.694 -1.911 19628 3155 1 10 . 1 1 40 40 GLU HA H 40 3.969 3.969 4.019 -0.050 19628 3156 1 10 . 1 1 40 40 GLU C C 40 178.947 178.947 178.383 0.564 19628 3157 1 10 . 1 1 40 40 GLU CA C 40 59.212 59.212 59.148 0.064 19628 3158 1 10 . 1 1 40 40 GLU CB C 40 30.282 30.282 29.129 1.153 19628 3159 1 10 . 1 1 41 41 ALA N N 41 122.522 122.522 121.699 0.823 19628 3160 1 10 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.774 -0.734 19628 3161 1 10 . 1 1 41 41 ALA C C 41 178.474 178.474 179.287 -0.813 19628 3162 1 10 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.805 -0.690 19628 3163 1 10 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.386 0.162 19628 3164 1 10 . 1 1 42 42 HIS N N 42 118.486 118.486 118.240 0.246 19628 3165 1 10 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.251 -0.401 19628 3166 1 10 . 1 1 42 42 HIS C C 42 177.400 177.400 177.598 -0.198 19628 3167 1 10 . 1 1 42 42 HIS CA C 42 60.187 60.187 59.089 1.099 19628 3168 1 10 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.889 0.111 19628 3169 1 10 . 1 1 43 43 LYS N N 43 118.483 118.483 118.846 -0.363 19628 3170 1 10 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.208 -0.353 19628 3171 1 10 . 1 1 43 43 LYS CA C 43 60.084 60.084 58.169 1.915 19628 3172 1 10 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.039 0.657 19628 3173 1 10 . 1 1 44 44 ALA N N 44 121.891 121.891 122.335 -0.444 19628 3174 1 10 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.006 -0.039 19628 3175 1 10 . 1 1 44 44 ALA C C 44 180.412 180.412 178.856 1.556 19628 3176 1 10 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.612 0.093 19628 3177 1 10 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.715 1.344 19628 3178 1 10 . 1 1 45 45 TRP N N 45 119.065 119.065 120.275 -1.210 19628 3179 1 10 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.217 -0.783 19628 3180 1 10 . 1 1 45 45 TRP C C 45 176.748 176.748 177.521 -0.773 19628 3181 1 10 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.386 1.154 19628 3182 1 10 . 1 1 45 45 TRP CB C 45 29.142 29.142 28.966 0.176 19628 3183 1 10 . 1 1 46 46 LYS N N 46 119.011 119.011 118.986 0.025 19628 3184 1 10 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.128 -0.185 19628 3185 1 10 . 1 1 46 46 LYS C C 46 178.523 178.523 178.065 0.458 19628 3186 1 10 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.366 0.921 19628 3187 1 10 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.415 1.122 19628 3188 1 10 . 1 1 47 47 ALA N N 47 118.189 118.189 121.485 -3.296 19628 3189 1 10 . 1 1 47 47 ALA HA H 47 3.960 3.960 4.025 -0.065 19628 3190 1 10 . 1 1 47 47 ALA C C 47 180.604 180.604 179.590 1.014 19628 3191 1 10 . 1 1 47 47 ALA CA C 47 54.203 54.203 54.702 -0.499 19628 3192 1 10 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.109 0.058 19628 3193 1 10 . 1 1 48 48 LYS N N 48 116.778 116.778 117.590 -0.812 19628 3194 1 10 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.997 -0.237 19628 3195 1 10 . 1 1 48 48 LYS C C 48 178.378 178.378 178.279 0.099 19628 3196 1 10 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.891 -1.954 19628 3197 1 10 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.133 -1.724 19628 3198 1 10 . 1 1 49 49 ALA N N 49 121.343 121.343 122.021 -0.678 19628 3199 1 10 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.144 -0.384 19628 3200 1 10 . 1 1 49 49 ALA C C 49 180.075 180.075 179.331 0.744 19628 3201 1 10 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.819 -0.742 19628 3202 1 10 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.279 -0.657 19628 3203 1 10 . 1 1 50 50 GLN N N 50 114.507 114.507 116.060 -1.553 19628 3204 1 10 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.097 0.022 19628 3205 1 10 . 1 1 50 50 GLN C C 50 176.838 176.838 177.759 -0.921 19628 3206 1 10 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.452 -0.809 19628 3207 1 10 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.890 -0.080 19628 3208 1 10 . 1 1 51 51 ALA N N 51 121.078 121.078 122.310 -1.232 19628 3209 1 10 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.219 0.159 19628 3210 1 10 . 1 1 51 51 ALA C C 51 178.394 178.394 178.262 0.132 19628 3211 1 10 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.828 -1.005 19628 3212 1 10 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.848 0.507 19628 3213 1 10 . 1 1 52 52 THR N N 52 111.735 111.735 113.702 -1.967 19628 3214 1 10 . 1 1 52 52 THR HA H 52 4.443 4.443 4.427 0.016 19628 3215 1 10 . 1 1 52 52 THR C C 52 175.345 175.345 174.467 0.878 19628 3216 1 10 . 1 1 52 52 THR CA C 52 61.884 61.884 60.315 1.569 19628 3217 1 10 . 1 1 52 52 THR CB C 52 69.455 69.455 68.270 1.185 19628 3218 1 10 . 1 1 53 53 VAL N N 53 120.702 120.702 126.753 -6.051 19628 3219 1 10 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.979 0.156 19628 3220 1 10 . 1 1 53 53 VAL C C 53 176.425 176.425 176.536 -0.111 19628 3221 1 10 . 1 1 53 53 VAL CA C 53 63.005 63.005 63.277 -0.272 19628 3222 1 10 . 1 1 53 53 VAL CB C 53 32.723 32.723 32.024 0.699 19628 3223 1 10 . 1 1 54 54 ASP N N 54 120.122 120.122 118.851 1.271 19628 3224 1 10 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.354 0.252 19628 3225 1 10 . 1 1 54 54 ASP C C 54 176.471 176.471 176.569 -0.098 19628 3226 1 10 . 1 1 54 54 ASP CA C 54 54.740 54.740 56.475 -1.735 19628 3227 1 10 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.759 0.399 19628 3228 1 10 . 1 1 55 55 ASN N N 55 117.542 117.542 118.039 -0.497 19628 3229 1 10 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.561 0.206 19628 3230 1 10 . 1 1 55 55 ASN C C 55 175.457 175.457 176.318 -0.861 19628 3231 1 10 . 1 1 55 55 ASN CA C 55 53.082 53.082 52.656 0.426 19628 3232 1 10 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.484 -0.784 19628 3233 1 10 . 1 1 56 56 ALA N N 56 122.962 122.962 129.652 -6.690 19628 3234 1 10 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.060 0.247 19628 3235 1 10 . 1 1 56 56 ALA C C 56 178.144 178.144 177.941 0.203 19628 3236 1 10 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.283 -1.094 19628 3237 1 10 . 1 1 56 56 ALA CB C 56 19.270 19.270 18.999 0.271 19628 3238 1 10 . 1 1 57 57 HIS N N 57 114.258 114.258 115.920 -1.662 19628 3239 1 10 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.580 0.138 19628 3240 1 10 . 1 1 57 57 HIS C C 57 174.283 174.283 173.688 0.595 19628 3241 1 10 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.461 1.077 19628 3242 1 10 . 1 1 57 57 HIS CB C 57 29.348 29.348 30.474 -1.126 19628 3243 1 10 . 1 1 58 58 ALA N N 58 122.364 122.364 123.671 -1.307 19628 3244 1 10 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.230 0.071 19628 3245 1 10 . 1 1 58 58 ALA C C 58 176.549 176.549 176.948 -0.399 19628 3246 1 10 . 1 1 58 58 ALA CA C 58 52.249 52.249 52.071 0.178 19628 3247 1 10 . 1 1 58 58 ALA CB C 58 19.898 19.898 17.840 2.058 19628 3248 1 10 . 1 1 59 59 ARG N N 59 120.664 120.664 125.880 -5.216 19628 3249 1 10 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.247 0.330 19628 3250 1 10 . 1 1 59 59 ARG C C 59 174.047 174.047 174.573 -0.526 19628 3251 1 10 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.993 -0.034 19628 3252 1 10 . 1 1 59 59 ARG CB C 59 34.241 34.241 31.083 3.158 19628 3253 1 10 . 1 1 60 60 TYR N N 60 117.222 117.222 126.242 -9.020 19628 3254 1 10 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.403 1.000 19628 3255 1 10 . 1 1 60 60 TYR C C 60 176.206 176.206 174.643 1.563 19628 3256 1 10 . 1 1 60 60 TYR CA C 60 57.256 57.256 59.363 -2.107 19628 3257 1 10 . 1 1 60 60 TYR CB C 60 42.214 42.214 38.230 3.984 19628 3258 1 10 . 1 1 61 61 PHE N N 61 117.727 117.727 120.753 -3.026 19628 3259 1 10 . 1 1 61 61 PHE HA H 61 5.294 5.294 4.952 0.342 19628 3260 1 10 . 1 1 61 61 PHE C C 61 174.358 174.358 175.602 -1.244 19628 3261 1 10 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.715 0.408 19628 3262 1 10 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.267 3.552 19628 3263 1 10 . 1 1 62 62 ILE N N 62 118.711 118.711 119.142 -0.431 19628 3264 1 10 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.766 0.348 19628 3265 1 10 . 1 1 62 62 ILE C C 62 174.937 174.937 175.040 -0.103 19628 3266 1 10 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.285 0.340 19628 3267 1 10 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.678 -0.504 19628 3268 1 10 . 1 1 63 63 ILE N N 63 125.236 125.236 123.297 1.939 19628 3269 1 10 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.551 0.181 19628 3270 1 10 . 1 1 63 63 ILE C C 63 176.218 176.218 174.148 2.070 19628 3271 1 10 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.624 0.197 19628 3272 1 10 . 1 1 63 63 ILE CB C 63 42.541 42.541 43.104 -0.563 19628 3273 1 10 . 1 1 64 64 HIS N N 64 127.707 127.707 120.525 7.182 19628 3274 1 10 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.313 0.240 19628 3275 1 10 . 1 1 64 64 HIS C C 64 174.365 174.365 174.507 -0.142 19628 3276 1 10 . 1 1 64 64 HIS CA C 64 53.539 53.539 54.879 -1.340 19628 3277 1 10 . 1 1 64 64 HIS CB C 64 30.765 30.765 29.697 1.068 19628 3278 1 10 . 1 1 65 65 ALA N N 65 131.873 131.873 127.983 3.890 19628 3279 1 10 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.333 0.222 19628 3280 1 10 . 1 1 65 65 ALA C C 65 174.433 174.433 176.686 -2.253 19628 3281 1 10 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.549 -1.175 19628 3282 1 10 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.327 -0.560 19628 3283 1 10 . 1 1 66 66 HIS N N 66 120.753 120.753 117.602 3.151 19628 3284 1 10 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.409 -0.238 19628 3285 1 10 . 1 1 66 66 HIS C C 66 175.249 175.249 175.265 -0.016 19628 3286 1 10 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.477 -0.978 19628 3287 1 10 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.366 0.204 19628 3288 1 10 . 1 1 67 67 LYS N N 67 117.601 117.601 120.391 -2.790 19628 3289 1 10 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.362 0.065 19628 3290 1 10 . 1 1 67 67 LYS C C 67 174.799 174.799 175.893 -1.094 19628 3291 1 10 . 1 1 67 67 LYS CA C 67 55.068 55.068 54.877 0.191 19628 3292 1 10 . 1 1 67 67 LYS CB C 67 34.784 34.784 31.575 3.209 19628 3293 1 10 . 1 1 68 68 LEU N N 68 127.238 127.238 125.255 1.983 19628 3294 1 10 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.414 0.033 19628 3295 1 10 . 1 1 68 68 LEU C C 68 175.878 175.878 176.962 -1.084 19628 3296 1 10 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.933 0.530 19628 3297 1 10 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.340 -0.768 19628 3298 1 10 . 1 1 69 69 LEU N N 69 123.968 123.968 121.087 2.881 19628 3299 1 10 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.612 -0.097 19628 3300 1 10 . 1 1 69 69 LEU C C 69 176.630 176.630 176.195 0.435 19628 3301 1 10 . 1 1 69 69 LEU CA C 69 55.204 55.204 53.692 1.512 19628 3302 1 10 . 1 1 69 69 LEU CB C 69 42.232 42.232 42.422 -0.190 19628 3303 1 10 . 1 1 70 70 ASP N N 70 122.630 122.630 123.097 -0.467 19628 3304 1 10 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.755 0.482 19628 3305 1 10 . 1 1 70 70 ASP CA C 70 49.989 49.989 52.952 -2.963 19628 3306 1 10 . 1 1 70 70 ASP CB C 70 42.502 42.502 41.260 1.242 19628 3307 1 10 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.345 -0.038 19628 3308 1 10 . 1 1 71 71 PRO C C 71 177.095 177.095 176.985 0.110 19628 3309 1 10 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.798 -1.246 19628 3310 1 10 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.429 -1.468 19628 3311 1 10 . 1 1 72 72 SER N N 72 114.226 114.226 114.551 -0.325 19628 3312 1 10 . 1 1 72 72 SER HA H 72 4.455 4.455 4.351 0.104 19628 3313 1 10 . 1 1 72 72 SER C C 72 175.162 175.162 174.795 0.367 19628 3314 1 10 . 1 1 72 72 SER CA C 72 60.232 60.232 59.216 1.016 19628 3315 1 10 . 1 1 72 72 SER CB C 72 63.899 63.899 63.547 0.351 19628 3316 1 10 . 1 1 73 73 GLU N N 73 121.971 121.971 120.463 1.508 19628 3317 1 10 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.520 -0.112 19628 3318 1 10 . 1 1 73 73 GLU C C 73 176.312 176.312 176.215 0.097 19628 3319 1 10 . 1 1 73 73 GLU CA C 73 56.613 56.613 55.031 1.582 19628 3320 1 10 . 1 1 73 73 GLU CB C 73 30.879 30.879 31.314 -0.435 19628 3321 1 11 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.539 -0.003 19628 3322 1 11 . 1 1 2 2 PRO C C 2 176.988 176.988 176.085 0.903 19628 3323 1 11 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.673 0.659 19628 3324 1 11 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.344 -0.103 19628 3325 1 11 . 1 1 3 3 ASP N N 3 120.121 120.121 122.952 -2.831 19628 3326 1 11 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.578 0.048 19628 3327 1 11 . 1 1 3 3 ASP C C 3 176.550 176.550 176.200 0.350 19628 3328 1 11 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.653 0.931 19628 3329 1 11 . 1 1 3 3 ASP CB C 3 41.274 41.274 40.517 0.757 19628 3330 1 11 . 1 1 4 4 LYS N N 4 120.298 120.298 126.999 -6.701 19628 3331 1 11 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.402 0.049 19628 3332 1 11 . 1 1 4 4 LYS C C 4 176.439 176.439 176.202 0.237 19628 3333 1 11 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.793 0.115 19628 3334 1 11 . 1 1 4 4 LYS CB C 4 33.819 33.819 30.985 2.834 19628 3335 1 11 . 1 1 5 5 GLN N N 5 122.085 122.085 118.946 3.139 19628 3336 1 11 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.336 0.127 19628 3337 1 11 . 1 1 5 5 GLN C C 5 175.305 175.305 176.159 -0.854 19628 3338 1 11 . 1 1 5 5 GLN CA C 5 56.317 56.317 55.273 1.044 19628 3339 1 11 . 1 1 5 5 GLN CB C 5 30.468 30.468 29.135 1.333 19628 3340 1 11 . 1 1 6 6 LEU N N 6 127.607 127.607 122.577 5.030 19628 3341 1 11 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.381 0.392 19628 3342 1 11 . 1 1 6 6 LEU C C 6 176.477 176.477 175.560 0.917 19628 3343 1 11 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.133 -1.063 19628 3344 1 11 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.464 0.076 19628 3345 1 11 . 1 1 7 7 LEU N N 7 124.306 124.306 121.531 2.775 19628 3346 1 11 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.882 -0.295 19628 3347 1 11 . 1 1 7 7 LEU C C 7 176.499 176.499 175.049 1.450 19628 3348 1 11 . 1 1 7 7 LEU CA C 7 57.062 57.062 52.850 4.212 19628 3349 1 11 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.362 -0.796 19628 3350 1 11 . 1 1 8 8 HIS N N 8 124.882 124.882 119.788 5.094 19628 3351 1 11 . 1 1 8 8 HIS HA H 8 5.791 5.791 4.909 0.882 19628 3352 1 11 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.611 -0.310 19628 3353 1 11 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.932 4.607 19628 3354 1 11 . 1 1 9 9 ILE N N 9 119.723 119.723 119.533 0.190 19628 3355 1 11 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.590 0.969 19628 3356 1 11 . 1 1 9 9 ILE CA C 9 59.010 59.010 60.973 -1.963 19628 3357 1 11 . 1 1 9 9 ILE CB C 9 42.600 42.600 39.150 3.450 19628 3358 1 11 . 1 1 10 10 VAL N N 10 124.236 124.236 118.407 5.829 19628 3359 1 11 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.863 0.718 19628 3360 1 11 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.545 0.749 19628 3361 1 11 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.449 1.709 19628 3362 1 11 . 1 1 11 11 VAL N N 11 119.677 119.677 117.678 1.999 19628 3363 1 11 . 1 1 11 11 VAL HA H 11 5.743 5.743 5.024 0.719 19628 3364 1 11 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.254 -1.164 19628 3365 1 11 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.463 1.128 19628 3366 1 11 . 1 1 12 12 GLY N N 12 107.410 107.410 107.456 -0.046 19628 3367 1 11 . 1 1 12 12 GLY CA C 12 46.567 46.567 45.431 1.136 19628 3368 1 11 . 1 1 13 13 GLY N N 13 103.550 103.550 107.478 -3.928 19628 3369 1 11 . 1 1 13 13 GLY C C 13 172.290 172.290 172.737 -0.447 19628 3370 1 11 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.494 0.527 19628 3371 1 11 . 1 1 14 14 GLU N N 14 118.735 118.735 121.056 -2.321 19628 3372 1 11 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.561 0.046 19628 3373 1 11 . 1 1 14 14 GLU C C 14 177.819 177.819 176.593 1.226 19628 3374 1 11 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.551 -0.063 19628 3375 1 11 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.715 0.286 19628 3376 1 11 . 1 1 15 15 LEU N N 15 125.767 125.767 124.202 1.565 19628 3377 1 11 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.818 0.054 19628 3378 1 11 . 1 1 15 15 LEU C C 15 178.742 178.742 177.859 0.883 19628 3379 1 11 . 1 1 15 15 LEU CA C 15 54.321 54.321 52.942 1.379 19628 3380 1 11 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.383 -0.402 19628 3381 1 11 . 1 1 16 16 LYS N N 16 120.328 120.328 121.746 -1.418 19628 3382 1 11 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.095 0.062 19628 3383 1 11 . 1 1 16 16 LYS CA C 16 57.359 57.359 59.550 -2.191 19628 3384 1 11 . 1 1 16 16 LYS CB C 16 34.874 34.874 32.956 1.918 19628 3385 1 11 . 1 1 17 17 ASP N N 17 121.541 121.541 115.810 5.731 19628 3386 1 11 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.785 0.079 19628 3387 1 11 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.724 0.760 19628 3388 1 11 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.441 -2.533 19628 3389 1 11 . 1 1 18 18 VAL N N 18 117.413 117.413 118.051 -0.638 19628 3390 1 11 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.636 0.697 19628 3391 1 11 . 1 1 18 18 VAL C C 18 175.600 175.600 176.471 -0.871 19628 3392 1 11 . 1 1 18 18 VAL CA C 18 61.089 61.089 63.996 -2.907 19628 3393 1 11 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.994 2.260 19628 3394 1 11 . 1 1 19 19 ALA N N 19 122.852 122.852 121.419 1.433 19628 3395 1 11 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.496 -0.103 19628 3396 1 11 . 1 1 19 19 ALA C C 19 178.737 178.737 178.320 0.417 19628 3397 1 11 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.785 0.156 19628 3398 1 11 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.089 -0.092 19628 3399 1 11 . 1 1 20 20 GLY N N 20 107.686 107.686 107.581 0.105 19628 3400 1 11 . 1 1 20 20 GLY C C 20 173.316 173.316 174.263 -0.947 19628 3401 1 11 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.882 -0.271 19628 3402 1 11 . 1 1 21 21 VAL N N 21 117.897 117.897 126.106 -8.209 19628 3403 1 11 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.863 0.087 19628 3404 1 11 . 1 1 21 21 VAL C C 21 174.804 174.804 175.012 -0.208 19628 3405 1 11 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.227 -0.200 19628 3406 1 11 . 1 1 21 21 VAL CB C 21 32.034 32.034 30.037 1.997 19628 3407 1 11 . 1 1 22 22 GLU N N 22 124.637 124.637 123.764 0.873 19628 3408 1 11 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.315 0.005 19628 3409 1 11 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.181 0.724 19628 3410 1 11 . 1 1 22 22 GLU CB C 22 32.883 32.883 31.815 1.068 19628 3411 1 11 . 1 1 23 23 PHE N N 23 124.102 124.102 123.789 0.313 19628 3412 1 11 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.563 0.132 19628 3413 1 11 . 1 1 23 23 PHE C C 23 177.013 177.013 176.793 0.220 19628 3414 1 11 . 1 1 23 23 PHE CA C 23 59.019 59.019 59.107 -0.088 19628 3415 1 11 . 1 1 23 23 PHE CB C 23 38.771 38.771 39.513 -0.742 19628 3416 1 11 . 1 1 24 24 ARG N N 24 121.555 121.555 123.205 -1.650 19628 3417 1 11 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.118 -0.250 19628 3418 1 11 . 1 1 24 24 ARG C C 24 176.567 176.567 176.280 0.287 19628 3419 1 11 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.293 1.009 19628 3420 1 11 . 1 1 24 24 ARG CB C 24 30.855 30.855 31.122 -0.267 19628 3421 1 11 . 1 1 25 25 ASP N N 25 116.629 116.629 113.484 3.145 19628 3422 1 11 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.735 0.056 19628 3423 1 11 . 1 1 25 25 ASP C C 25 177.266 177.266 174.779 2.487 19628 3424 1 11 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.584 -0.776 19628 3425 1 11 . 1 1 25 25 ASP CB C 25 41.962 41.962 43.445 -1.483 19628 3426 1 11 . 1 1 26 26 LEU N N 26 125.814 125.814 121.745 4.069 19628 3427 1 11 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.234 -0.278 19628 3428 1 11 . 1 1 26 26 LEU C C 26 178.850 178.850 178.307 0.543 19628 3429 1 11 . 1 1 26 26 LEU CA C 26 57.354 57.354 55.569 1.785 19628 3430 1 11 . 1 1 26 26 LEU CB C 26 40.910 40.910 42.370 -1.460 19628 3431 1 11 . 1 1 27 27 SER N N 27 113.793 113.793 114.664 -0.871 19628 3432 1 11 . 1 1 27 27 SER HA H 27 4.454 4.454 4.351 0.103 19628 3433 1 11 . 1 1 27 27 SER C C 27 175.696 175.696 174.961 0.735 19628 3434 1 11 . 1 1 27 27 SER CA C 27 60.804 60.804 60.163 0.641 19628 3435 1 11 . 1 1 27 27 SER CB C 27 63.311 63.311 63.456 -0.145 19628 3436 1 11 . 1 1 28 28 LYS N N 28 120.122 120.122 120.000 0.122 19628 3437 1 11 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.512 0.109 19628 3438 1 11 . 1 1 28 28 LYS C C 28 177.281 177.281 174.380 2.901 19628 3439 1 11 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.041 -0.378 19628 3440 1 11 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.545 0.531 19628 3441 1 11 . 1 1 29 29 VAL N N 29 120.916 120.916 116.047 4.869 19628 3442 1 11 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.968 -0.095 19628 3443 1 11 . 1 1 29 29 VAL CA C 29 63.625 63.625 59.761 3.864 19628 3444 1 11 . 1 1 29 29 VAL CB C 29 32.440 32.440 32.610 -0.170 19628 3445 1 11 . 1 1 30 30 GLU N N 30 127.248 127.248 124.875 2.373 19628 3446 1 11 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.514 -0.120 19628 3447 1 11 . 1 1 30 30 GLU CA C 30 54.427 54.427 54.286 0.141 19628 3448 1 11 . 1 1 30 30 GLU CB C 30 32.178 32.178 31.046 1.132 19628 3449 1 11 . 1 1 31 31 PHE N N 31 126.351 126.351 125.551 0.800 19628 3450 1 11 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.503 -0.027 19628 3451 1 11 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.698 -2.265 19628 3452 1 11 . 1 1 31 31 PHE CB C 31 35.635 35.635 37.974 -2.338 19628 3453 1 11 . 1 1 32 32 VAL N N 32 128.354 128.354 123.493 4.861 19628 3454 1 11 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.859 0.008 19628 3455 1 11 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.824 0.196 19628 3456 1 11 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.230 -0.156 19628 3457 1 11 . 1 1 33 33 GLY N N 33 107.690 107.690 105.649 2.041 19628 3458 1 11 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.606 1.160 19628 3459 1 11 . 1 1 34 34 ALA N N 34 120.706 120.706 121.853 -1.147 19628 3460 1 11 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.885 0.269 19628 3461 1 11 . 1 1 34 34 ALA CA C 34 49.819 49.819 51.780 -1.961 19628 3462 1 11 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.288 0.574 19628 3463 1 11 . 1 1 35 35 TYR N N 35 115.457 115.457 118.830 -3.373 19628 3464 1 11 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.810 0.133 19628 3465 1 11 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.707 0.620 19628 3466 1 11 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.526 2.031 19628 3467 1 11 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.420 0.240 19628 3468 1 11 . 1 1 36 36 PRO C C 36 174.733 174.733 176.060 -1.327 19628 3469 1 11 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.773 0.166 19628 3470 1 11 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.548 -0.181 19628 3471 1 11 . 1 1 37 37 SER N N 37 109.883 109.883 112.006 -2.123 19628 3472 1 11 . 1 1 37 37 SER HA H 37 4.819 4.819 4.680 0.139 19628 3473 1 11 . 1 1 37 37 SER C C 37 173.943 173.943 174.262 -0.319 19628 3474 1 11 . 1 1 37 37 SER CA C 37 56.502 56.502 55.956 0.546 19628 3475 1 11 . 1 1 37 37 SER CB C 37 66.351 66.351 64.827 1.524 19628 3476 1 11 . 1 1 38 38 TYR N N 38 122.819 122.819 127.105 -4.286 19628 3477 1 11 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.250 -1.199 19628 3478 1 11 . 1 1 38 38 TYR C C 38 177.295 177.295 176.624 0.671 19628 3479 1 11 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.290 0.783 19628 3480 1 11 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.707 -1.043 19628 3481 1 11 . 1 1 39 39 ASP N N 39 116.964 116.964 118.279 -1.315 19628 3482 1 11 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.263 -0.042 19628 3483 1 11 . 1 1 39 39 ASP C C 39 179.740 179.740 178.221 1.519 19628 3484 1 11 . 1 1 39 39 ASP CA C 39 57.754 57.754 56.640 1.114 19628 3485 1 11 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.438 0.457 19628 3486 1 11 . 1 1 40 40 GLU N N 40 116.783 116.783 118.787 -2.004 19628 3487 1 11 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.998 -0.028 19628 3488 1 11 . 1 1 40 40 GLU C C 40 178.947 178.947 178.229 0.718 19628 3489 1 11 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.908 0.304 19628 3490 1 11 . 1 1 40 40 GLU CB C 40 30.282 30.282 29.021 1.261 19628 3491 1 11 . 1 1 41 41 ALA N N 41 122.522 122.522 121.787 0.735 19628 3492 1 11 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.874 -0.834 19628 3493 1 11 . 1 1 41 41 ALA C C 41 178.474 178.474 179.146 -0.672 19628 3494 1 11 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.695 -0.580 19628 3495 1 11 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.246 0.302 19628 3496 1 11 . 1 1 42 42 HIS N N 42 118.486 118.486 117.417 1.069 19628 3497 1 11 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.102 -0.252 19628 3498 1 11 . 1 1 42 42 HIS C C 42 177.400 177.400 177.068 0.332 19628 3499 1 11 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.834 1.353 19628 3500 1 11 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.695 0.304 19628 3501 1 11 . 1 1 43 43 LYS N N 43 118.483 118.483 118.930 -0.447 19628 3502 1 11 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.042 -0.187 19628 3503 1 11 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.528 2.556 19628 3504 1 11 . 1 1 43 43 LYS CB C 43 32.696 32.696 31.984 0.712 19628 3505 1 11 . 1 1 44 44 ALA N N 44 121.891 121.891 122.404 -0.513 19628 3506 1 11 . 1 1 44 44 ALA HA H 44 3.967 3.967 3.951 0.016 19628 3507 1 11 . 1 1 44 44 ALA C C 44 180.412 180.412 178.765 1.647 19628 3508 1 11 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.658 0.047 19628 3509 1 11 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.746 1.313 19628 3510 1 11 . 1 1 45 45 TRP N N 45 119.065 119.065 120.302 -1.237 19628 3511 1 11 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.204 -0.770 19628 3512 1 11 . 1 1 45 45 TRP C C 45 176.748 176.748 177.449 -0.701 19628 3513 1 11 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.339 1.201 19628 3514 1 11 . 1 1 45 45 TRP CB C 45 29.142 29.142 28.901 0.241 19628 3515 1 11 . 1 1 46 46 LYS N N 46 119.011 119.011 118.389 0.622 19628 3516 1 11 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.266 -0.323 19628 3517 1 11 . 1 1 46 46 LYS C C 46 178.523 178.523 178.012 0.511 19628 3518 1 11 . 1 1 46 46 LYS CA C 46 59.287 59.287 57.770 1.517 19628 3519 1 11 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.071 1.466 19628 3520 1 11 . 1 1 47 47 ALA N N 47 118.189 118.189 122.501 -4.312 19628 3521 1 11 . 1 1 47 47 ALA HA H 47 3.960 3.960 4.015 -0.055 19628 3522 1 11 . 1 1 47 47 ALA C C 47 180.604 180.604 179.568 1.036 19628 3523 1 11 . 1 1 47 47 ALA CA C 47 54.203 54.203 54.865 -0.662 19628 3524 1 11 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.144 0.023 19628 3525 1 11 . 1 1 48 48 LYS N N 48 116.778 116.778 117.901 -1.123 19628 3526 1 11 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.986 -0.226 19628 3527 1 11 . 1 1 48 48 LYS C C 48 178.378 178.378 178.503 -0.125 19628 3528 1 11 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.977 -2.039 19628 3529 1 11 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.157 -1.748 19628 3530 1 11 . 1 1 49 49 ALA N N 49 121.343 121.343 122.611 -1.268 19628 3531 1 11 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.131 -0.371 19628 3532 1 11 . 1 1 49 49 ALA C C 49 180.075 180.075 179.163 0.912 19628 3533 1 11 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.885 -0.808 19628 3534 1 11 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.248 -0.626 19628 3535 1 11 . 1 1 50 50 GLN N N 50 114.507 114.507 115.911 -1.404 19628 3536 1 11 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.048 0.071 19628 3537 1 11 . 1 1 50 50 GLN C C 50 176.838 176.838 178.450 -1.612 19628 3538 1 11 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.839 -1.196 19628 3539 1 11 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.738 0.072 19628 3540 1 11 . 1 1 51 51 ALA N N 51 121.078 121.078 121.549 -0.471 19628 3541 1 11 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.293 0.085 19628 3542 1 11 . 1 1 51 51 ALA C C 51 178.394 178.394 178.619 -0.225 19628 3543 1 11 . 1 1 51 51 ALA CA C 51 52.823 52.823 54.104 -1.281 19628 3544 1 11 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.953 0.402 19628 3545 1 11 . 1 1 52 52 THR N N 52 111.735 111.735 110.586 1.149 19628 3546 1 11 . 1 1 52 52 THR HA H 52 4.443 4.443 4.526 -0.083 19628 3547 1 11 . 1 1 52 52 THR C C 52 175.345 175.345 175.167 0.178 19628 3548 1 11 . 1 1 52 52 THR CA C 52 61.884 61.884 60.212 1.672 19628 3549 1 11 . 1 1 52 52 THR CB C 52 69.455 69.455 68.934 0.521 19628 3550 1 11 . 1 1 53 53 VAL N N 53 120.702 120.702 117.253 3.449 19628 3551 1 11 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.863 0.272 19628 3552 1 11 . 1 1 53 53 VAL C C 53 176.425 176.425 176.676 -0.251 19628 3553 1 11 . 1 1 53 53 VAL CA C 53 63.005 63.005 63.883 -0.878 19628 3554 1 11 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.580 1.143 19628 3555 1 11 . 1 1 54 54 ASP N N 54 120.122 120.122 119.134 0.988 19628 3556 1 11 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.462 0.144 19628 3557 1 11 . 1 1 54 54 ASP C C 54 176.471 176.471 176.157 0.314 19628 3558 1 11 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.326 -0.586 19628 3559 1 11 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.127 0.032 19628 3560 1 11 . 1 1 55 55 ASN N N 55 117.542 117.542 118.868 -1.326 19628 3561 1 11 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.666 0.101 19628 3562 1 11 . 1 1 55 55 ASN C C 55 175.457 175.457 174.687 0.770 19628 3563 1 11 . 1 1 55 55 ASN CA C 55 53.082 53.082 52.725 0.357 19628 3564 1 11 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.236 -0.536 19628 3565 1 11 . 1 1 56 56 ALA N N 56 122.962 122.962 129.822 -6.860 19628 3566 1 11 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.302 0.005 19628 3567 1 11 . 1 1 56 56 ALA C C 56 178.144 178.144 177.496 0.648 19628 3568 1 11 . 1 1 56 56 ALA CA C 56 53.189 53.189 53.258 -0.069 19628 3569 1 11 . 1 1 56 56 ALA CB C 56 19.270 19.270 18.747 0.523 19628 3570 1 11 . 1 1 57 57 HIS N N 57 114.258 114.258 115.253 -0.995 19628 3571 1 11 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.106 0.612 19628 3572 1 11 . 1 1 57 57 HIS C C 57 174.283 174.283 174.345 -0.062 19628 3573 1 11 . 1 1 57 57 HIS CA C 57 55.538 55.538 56.361 -0.823 19628 3574 1 11 . 1 1 57 57 HIS CB C 57 29.348 29.348 28.046 1.302 19628 3575 1 11 . 1 1 58 58 ALA N N 58 122.364 122.364 122.275 0.089 19628 3576 1 11 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.561 -0.260 19628 3577 1 11 . 1 1 58 58 ALA C C 58 176.549 176.549 176.520 0.029 19628 3578 1 11 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.407 0.842 19628 3579 1 11 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.870 1.028 19628 3580 1 11 . 1 1 59 59 ARG N N 59 120.664 120.664 124.135 -3.471 19628 3581 1 11 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.510 0.067 19628 3582 1 11 . 1 1 59 59 ARG C C 59 174.047 174.047 174.899 -0.852 19628 3583 1 11 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.368 -0.409 19628 3584 1 11 . 1 1 59 59 ARG CB C 59 34.241 34.241 30.958 3.283 19628 3585 1 11 . 1 1 60 60 TYR N N 60 117.222 117.222 124.148 -6.926 19628 3586 1 11 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.724 0.679 19628 3587 1 11 . 1 1 60 60 TYR C C 60 176.206 176.206 175.149 1.057 19628 3588 1 11 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.647 -1.391 19628 3589 1 11 . 1 1 60 60 TYR CB C 60 42.214 42.214 39.725 2.489 19628 3590 1 11 . 1 1 61 61 PHE N N 61 117.727 117.727 121.745 -4.018 19628 3591 1 11 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.097 0.197 19628 3592 1 11 . 1 1 61 61 PHE C C 61 174.358 174.358 174.257 0.101 19628 3593 1 11 . 1 1 61 61 PHE CA C 61 57.123 57.123 57.189 -0.066 19628 3594 1 11 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.934 2.885 19628 3595 1 11 . 1 1 62 62 ILE N N 62 118.711 118.711 118.713 -0.002 19628 3596 1 11 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.838 0.276 19628 3597 1 11 . 1 1 62 62 ILE C C 62 174.937 174.937 174.967 -0.030 19628 3598 1 11 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.245 0.380 19628 3599 1 11 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.847 -0.673 19628 3600 1 11 . 1 1 63 63 ILE N N 63 125.236 125.236 121.399 3.837 19628 3601 1 11 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.512 0.220 19628 3602 1 11 . 1 1 63 63 ILE C C 63 176.218 176.218 174.421 1.797 19628 3603 1 11 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.391 0.430 19628 3604 1 11 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.749 -0.208 19628 3605 1 11 . 1 1 64 64 HIS N N 64 127.707 127.707 119.147 8.560 19628 3606 1 11 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.116 0.437 19628 3607 1 11 . 1 1 64 64 HIS C C 64 174.365 174.365 174.450 -0.085 19628 3608 1 11 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.267 -1.728 19628 3609 1 11 . 1 1 64 64 HIS CB C 64 30.765 30.765 30.263 0.502 19628 3610 1 11 . 1 1 65 65 ALA N N 65 131.873 131.873 127.291 4.582 19628 3611 1 11 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.503 0.052 19628 3612 1 11 . 1 1 65 65 ALA C C 65 174.433 174.433 176.315 -1.882 19628 3613 1 11 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.843 -1.469 19628 3614 1 11 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.875 -1.108 19628 3615 1 11 . 1 1 66 66 HIS N N 66 120.753 120.753 118.918 1.835 19628 3616 1 11 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.450 -0.279 19628 3617 1 11 . 1 1 66 66 HIS C C 66 175.249 175.249 175.380 -0.131 19628 3618 1 11 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.408 -0.909 19628 3619 1 11 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.159 0.411 19628 3620 1 11 . 1 1 67 67 LYS N N 67 117.601 117.601 120.085 -2.484 19628 3621 1 11 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.526 -0.099 19628 3622 1 11 . 1 1 67 67 LYS C C 67 174.799 174.799 175.232 -0.433 19628 3623 1 11 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.275 -0.207 19628 3624 1 11 . 1 1 67 67 LYS CB C 67 34.784 34.784 33.658 1.125 19628 3625 1 11 . 1 1 68 68 LEU N N 68 127.238 127.238 124.688 2.550 19628 3626 1 11 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.542 -0.095 19628 3627 1 11 . 1 1 68 68 LEU C C 68 175.878 175.878 177.163 -1.285 19628 3628 1 11 . 1 1 68 68 LEU CA C 68 54.463 54.463 54.017 0.446 19628 3629 1 11 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.853 -1.281 19628 3630 1 11 . 1 1 69 69 LEU N N 69 123.968 123.968 122.013 1.955 19628 3631 1 11 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.398 0.117 19628 3632 1 11 . 1 1 69 69 LEU C C 69 176.630 176.630 176.309 0.321 19628 3633 1 11 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.993 0.211 19628 3634 1 11 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.537 0.695 19628 3635 1 11 . 1 1 70 70 ASP N N 70 122.630 122.630 125.929 -3.299 19628 3636 1 11 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.885 0.352 19628 3637 1 11 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.189 -1.200 19628 3638 1 11 . 1 1 70 70 ASP CB C 70 42.502 42.502 41.655 0.847 19628 3639 1 11 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.359 -0.052 19628 3640 1 11 . 1 1 71 71 PRO C C 71 177.095 177.095 177.153 -0.058 19628 3641 1 11 . 1 1 71 71 PRO CA C 71 62.552 62.552 64.027 -1.475 19628 3642 1 11 . 1 1 71 71 PRO CB C 71 30.961 30.961 31.788 -0.827 19628 3643 1 11 . 1 1 72 72 SER N N 72 114.226 114.226 113.116 1.110 19628 3644 1 11 . 1 1 72 72 SER HA H 72 4.455 4.455 4.269 0.186 19628 3645 1 11 . 1 1 72 72 SER C C 72 175.162 175.162 175.453 -0.291 19628 3646 1 11 . 1 1 72 72 SER CA C 72 60.232 60.232 60.242 -0.010 19628 3647 1 11 . 1 1 72 72 SER CB C 72 63.899 63.899 63.307 0.592 19628 3648 1 11 . 1 1 73 73 GLU N N 73 121.971 121.971 120.131 1.840 19628 3649 1 11 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.502 -0.094 19628 3650 1 11 . 1 1 73 73 GLU C C 73 176.312 176.312 177.137 -0.825 19628 3651 1 11 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.085 0.528 19628 3652 1 11 . 1 1 73 73 GLU CB C 73 30.879 30.879 31.559 -0.680 19628 3653 1 12 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.485 0.051 19628 3654 1 12 . 1 1 2 2 PRO C C 2 176.988 176.988 176.450 0.538 19628 3655 1 12 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.198 1.134 19628 3656 1 12 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.355 -0.114 19628 3657 1 12 . 1 1 3 3 ASP N N 3 120.121 120.121 120.527 -0.406 19628 3658 1 12 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.512 0.114 19628 3659 1 12 . 1 1 3 3 ASP C C 3 176.550 176.550 175.370 1.180 19628 3660 1 12 . 1 1 3 3 ASP CA C 3 54.584 54.584 54.400 0.184 19628 3661 1 12 . 1 1 3 3 ASP CB C 3 41.274 41.274 40.108 1.165 19628 3662 1 12 . 1 1 4 4 LYS N N 4 120.298 120.298 125.953 -5.655 19628 3663 1 12 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.641 -0.190 19628 3664 1 12 . 1 1 4 4 LYS C C 4 176.439 176.439 175.964 0.475 19628 3665 1 12 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.292 0.616 19628 3666 1 12 . 1 1 4 4 LYS CB C 4 33.819 33.819 31.788 2.031 19628 3667 1 12 . 1 1 5 5 GLN N N 5 122.085 122.085 122.101 -0.016 19628 3668 1 12 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.498 -0.035 19628 3669 1 12 . 1 1 5 5 GLN C C 5 175.305 175.305 175.001 0.304 19628 3670 1 12 . 1 1 5 5 GLN CA C 5 56.317 56.317 55.238 1.079 19628 3671 1 12 . 1 1 5 5 GLN CB C 5 30.468 30.468 29.332 1.136 19628 3672 1 12 . 1 1 6 6 LEU N N 6 127.607 127.607 122.115 5.492 19628 3673 1 12 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.604 0.170 19628 3674 1 12 . 1 1 6 6 LEU C C 6 176.477 176.477 175.930 0.547 19628 3675 1 12 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.224 -1.155 19628 3676 1 12 . 1 1 6 6 LEU CB C 6 42.540 42.540 43.003 -0.463 19628 3677 1 12 . 1 1 7 7 LEU N N 7 124.306 124.306 121.880 2.426 19628 3678 1 12 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.962 -0.375 19628 3679 1 12 . 1 1 7 7 LEU C C 7 176.499 176.499 175.407 1.092 19628 3680 1 12 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.504 3.558 19628 3681 1 12 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.193 -0.627 19628 3682 1 12 . 1 1 8 8 HIS N N 8 124.882 124.882 119.557 5.325 19628 3683 1 12 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.152 0.639 19628 3684 1 12 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.130 0.171 19628 3685 1 12 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.237 4.302 19628 3686 1 12 . 1 1 9 9 ILE N N 9 119.723 119.723 119.906 -0.183 19628 3687 1 12 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.247 1.312 19628 3688 1 12 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.976 -2.966 19628 3689 1 12 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.790 3.810 19628 3690 1 12 . 1 1 10 10 VAL N N 10 124.236 124.236 115.613 8.623 19628 3691 1 12 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.787 0.794 19628 3692 1 12 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.457 0.837 19628 3693 1 12 . 1 1 10 10 VAL CB C 10 34.158 34.158 33.822 0.336 19628 3694 1 12 . 1 1 11 11 VAL N N 11 119.677 119.677 123.979 -4.302 19628 3695 1 12 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.519 1.224 19628 3696 1 12 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.826 -1.736 19628 3697 1 12 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.120 1.471 19628 3698 1 12 . 1 1 12 12 GLY N N 12 107.410 107.410 111.734 -4.324 19628 3699 1 12 . 1 1 12 12 GLY CA C 12 46.567 46.567 43.520 3.047 19628 3700 1 12 . 1 1 13 13 GLY N N 13 103.550 103.550 105.202 -1.652 19628 3701 1 12 . 1 1 13 13 GLY C C 13 172.290 172.290 172.192 0.098 19628 3702 1 12 . 1 1 13 13 GLY CA C 13 45.021 45.021 45.033 -0.013 19628 3703 1 12 . 1 1 14 14 GLU N N 14 118.735 118.735 120.314 -1.579 19628 3704 1 12 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.541 0.066 19628 3705 1 12 . 1 1 14 14 GLU C C 14 177.819 177.819 176.212 1.607 19628 3706 1 12 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.262 0.226 19628 3707 1 12 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.946 0.055 19628 3708 1 12 . 1 1 15 15 LEU N N 15 125.767 125.767 124.325 1.442 19628 3709 1 12 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.750 0.122 19628 3710 1 12 . 1 1 15 15 LEU C C 15 178.742 178.742 177.290 1.452 19628 3711 1 12 . 1 1 15 15 LEU CA C 15 54.321 54.321 52.934 1.387 19628 3712 1 12 . 1 1 15 15 LEU CB C 15 42.981 42.981 42.636 0.345 19628 3713 1 12 . 1 1 16 16 LYS N N 16 120.328 120.328 119.916 0.412 19628 3714 1 12 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.038 0.119 19628 3715 1 12 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.242 -0.883 19628 3716 1 12 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.119 1.755 19628 3717 1 12 . 1 1 17 17 ASP N N 17 121.541 121.541 116.119 5.422 19628 3718 1 12 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.724 0.140 19628 3719 1 12 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.335 1.149 19628 3720 1 12 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.763 -2.855 19628 3721 1 12 . 1 1 18 18 VAL N N 18 117.413 117.413 117.819 -0.406 19628 3722 1 12 . 1 1 18 18 VAL HA H 18 4.333 4.333 4.100 0.233 19628 3723 1 12 . 1 1 18 18 VAL C C 18 175.600 175.600 176.532 -0.932 19628 3724 1 12 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.544 -3.455 19628 3725 1 12 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.835 2.419 19628 3726 1 12 . 1 1 19 19 ALA N N 19 122.852 122.852 121.498 1.354 19628 3727 1 12 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.520 -0.127 19628 3728 1 12 . 1 1 19 19 ALA C C 19 178.737 178.737 178.260 0.477 19628 3729 1 12 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.556 0.385 19628 3730 1 12 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.916 -0.919 19628 3731 1 12 . 1 1 20 20 GLY N N 20 107.686 107.686 107.558 0.128 19628 3732 1 12 . 1 1 20 20 GLY C C 20 173.316 173.316 174.286 -0.970 19628 3733 1 12 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.672 -0.061 19628 3734 1 12 . 1 1 21 21 VAL N N 21 117.897 117.897 125.617 -7.720 19628 3735 1 12 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.997 -0.047 19628 3736 1 12 . 1 1 21 21 VAL C C 21 174.804 174.804 175.185 -0.381 19628 3737 1 12 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.082 -0.055 19628 3738 1 12 . 1 1 21 21 VAL CB C 21 32.034 32.034 30.352 1.682 19628 3739 1 12 . 1 1 22 22 GLU N N 22 124.637 124.637 122.800 1.837 19628 3740 1 12 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.301 0.019 19628 3741 1 12 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.065 0.840 19628 3742 1 12 . 1 1 22 22 GLU CB C 22 32.883 32.883 31.780 1.103 19628 3743 1 12 . 1 1 23 23 PHE N N 23 124.102 124.102 123.793 0.309 19628 3744 1 12 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.708 -0.013 19628 3745 1 12 . 1 1 23 23 PHE C C 23 177.013 177.013 177.076 -0.063 19628 3746 1 12 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.078 0.941 19628 3747 1 12 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.827 -0.056 19628 3748 1 12 . 1 1 24 24 ARG N N 24 121.555 121.555 125.399 -3.844 19628 3749 1 12 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.061 -0.193 19628 3750 1 12 . 1 1 24 24 ARG C C 24 176.567 176.567 176.204 0.363 19628 3751 1 12 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.286 1.016 19628 3752 1 12 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.989 -0.134 19628 3753 1 12 . 1 1 25 25 ASP N N 25 116.629 116.629 114.727 1.902 19628 3754 1 12 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.742 0.049 19628 3755 1 12 . 1 1 25 25 ASP C C 25 177.266 177.266 174.991 2.275 19628 3756 1 12 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.552 -0.744 19628 3757 1 12 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.910 -0.948 19628 3758 1 12 . 1 1 26 26 LEU N N 26 125.814 125.814 124.061 1.753 19628 3759 1 12 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.331 -0.375 19628 3760 1 12 . 1 1 26 26 LEU C C 26 178.850 178.850 177.419 1.431 19628 3761 1 12 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.117 1.237 19628 3762 1 12 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.350 -0.440 19628 3763 1 12 . 1 1 27 27 SER N N 27 113.793 113.793 114.452 -0.659 19628 3764 1 12 . 1 1 27 27 SER HA H 27 4.454 4.454 4.362 0.092 19628 3765 1 12 . 1 1 27 27 SER C C 27 175.696 175.696 175.709 -0.013 19628 3766 1 12 . 1 1 27 27 SER CA C 27 60.804 60.804 59.656 1.148 19628 3767 1 12 . 1 1 27 27 SER CB C 27 63.311 63.311 63.491 -0.180 19628 3768 1 12 . 1 1 28 28 LYS N N 28 120.122 120.122 120.002 0.120 19628 3769 1 12 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.211 0.410 19628 3770 1 12 . 1 1 28 28 LYS C C 28 177.281 177.281 176.733 0.548 19628 3771 1 12 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.659 -0.996 19628 3772 1 12 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.403 0.673 19628 3773 1 12 . 1 1 29 29 VAL N N 29 120.916 120.916 120.381 0.535 19628 3774 1 12 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.677 0.196 19628 3775 1 12 . 1 1 29 29 VAL CA C 29 63.625 63.625 62.240 1.385 19628 3776 1 12 . 1 1 29 29 VAL CB C 29 32.440 32.440 29.660 2.780 19628 3777 1 12 . 1 1 30 30 GLU N N 30 127.248 127.248 127.884 -0.636 19628 3778 1 12 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.397 -0.003 19628 3779 1 12 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.165 -0.738 19628 3780 1 12 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.227 1.950 19628 3781 1 12 . 1 1 31 31 PHE N N 31 126.351 126.351 127.112 -0.761 19628 3782 1 12 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.429 0.047 19628 3783 1 12 . 1 1 31 31 PHE CA C 31 56.433 56.433 59.031 -2.598 19628 3784 1 12 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.656 -3.021 19628 3785 1 12 . 1 1 32 32 VAL N N 32 128.354 128.354 122.621 5.733 19628 3786 1 12 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.912 -0.045 19628 3787 1 12 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.806 0.213 19628 3788 1 12 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.084 -0.009 19628 3789 1 12 . 1 1 33 33 GLY N N 33 107.690 107.690 106.390 1.300 19628 3790 1 12 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.797 0.969 19628 3791 1 12 . 1 1 34 34 ALA N N 34 120.706 120.706 122.237 -1.531 19628 3792 1 12 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.819 0.335 19628 3793 1 12 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.058 -2.239 19628 3794 1 12 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.223 0.639 19628 3795 1 12 . 1 1 35 35 TYR N N 35 115.457 115.457 119.827 -4.370 19628 3796 1 12 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.845 0.098 19628 3797 1 12 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.265 1.062 19628 3798 1 12 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.329 2.229 19628 3799 1 12 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.488 0.172 19628 3800 1 12 . 1 1 36 36 PRO C C 36 174.733 174.733 175.491 -0.758 19628 3801 1 12 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.441 0.498 19628 3802 1 12 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.191 0.175 19628 3803 1 12 . 1 1 37 37 SER N N 37 109.883 109.883 113.193 -3.310 19628 3804 1 12 . 1 1 37 37 SER HA H 37 4.819 4.819 4.803 0.016 19628 3805 1 12 . 1 1 37 37 SER C C 37 173.943 173.943 174.417 -0.474 19628 3806 1 12 . 1 1 37 37 SER CA C 37 56.502 56.502 56.828 -0.326 19628 3807 1 12 . 1 1 37 37 SER CB C 37 66.351 66.351 66.043 0.308 19628 3808 1 12 . 1 1 38 38 TYR N N 38 122.819 122.819 126.405 -3.586 19628 3809 1 12 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.165 -1.114 19628 3810 1 12 . 1 1 38 38 TYR C C 38 177.295 177.295 176.906 0.389 19628 3811 1 12 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.526 0.547 19628 3812 1 12 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.419 -0.755 19628 3813 1 12 . 1 1 39 39 ASP N N 39 116.964 116.964 118.061 -1.097 19628 3814 1 12 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.182 0.039 19628 3815 1 12 . 1 1 39 39 ASP C C 39 179.740 179.740 178.303 1.437 19628 3816 1 12 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.569 0.185 19628 3817 1 12 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.352 0.543 19628 3818 1 12 . 1 1 40 40 GLU N N 40 116.783 116.783 118.412 -1.629 19628 3819 1 12 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.938 0.031 19628 3820 1 12 . 1 1 40 40 GLU C C 40 178.947 178.947 178.355 0.592 19628 3821 1 12 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.987 0.225 19628 3822 1 12 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.967 1.315 19628 3823 1 12 . 1 1 41 41 ALA N N 41 122.522 122.522 121.494 1.028 19628 3824 1 12 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.171 -1.131 19628 3825 1 12 . 1 1 41 41 ALA C C 41 178.474 178.474 179.233 -0.759 19628 3826 1 12 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.889 -0.774 19628 3827 1 12 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.400 0.148 19628 3828 1 12 . 1 1 42 42 HIS N N 42 118.486 118.486 117.473 1.013 19628 3829 1 12 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.150 -0.300 19628 3830 1 12 . 1 1 42 42 HIS C C 42 177.400 177.400 177.225 0.175 19628 3831 1 12 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.552 1.635 19628 3832 1 12 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.625 0.374 19628 3833 1 12 . 1 1 43 43 LYS N N 43 118.483 118.483 119.184 -0.701 19628 3834 1 12 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.133 -0.278 19628 3835 1 12 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.658 2.426 19628 3836 1 12 . 1 1 43 43 LYS CB C 43 32.696 32.696 31.967 0.729 19628 3837 1 12 . 1 1 44 44 ALA N N 44 121.891 121.891 122.779 -0.888 19628 3838 1 12 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.026 -0.059 19628 3839 1 12 . 1 1 44 44 ALA C C 44 180.412 180.412 178.763 1.649 19628 3840 1 12 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.999 -0.294 19628 3841 1 12 . 1 1 44 44 ALA CB C 44 19.059 19.059 18.022 1.037 19628 3842 1 12 . 1 1 45 45 TRP N N 45 119.065 119.065 120.106 -1.041 19628 3843 1 12 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.409 -0.975 19628 3844 1 12 . 1 1 45 45 TRP C C 45 176.748 176.748 177.726 -0.978 19628 3845 1 12 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.053 1.487 19628 3846 1 12 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.098 0.044 19628 3847 1 12 . 1 1 46 46 LYS N N 46 119.011 119.011 119.016 -0.005 19628 3848 1 12 . 1 1 46 46 LYS HA H 46 2.943 2.943 2.933 0.010 19628 3849 1 12 . 1 1 46 46 LYS C C 46 178.523 178.523 178.288 0.235 19628 3850 1 12 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.419 0.868 19628 3851 1 12 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.425 1.112 19628 3852 1 12 . 1 1 47 47 ALA N N 47 118.189 118.189 121.635 -3.446 19628 3853 1 12 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.947 0.013 19628 3854 1 12 . 1 1 47 47 ALA C C 47 180.604 180.604 179.758 0.846 19628 3855 1 12 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.011 -0.808 19628 3856 1 12 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.189 -0.022 19628 3857 1 12 . 1 1 48 48 LYS N N 48 116.778 116.778 117.040 -0.262 19628 3858 1 12 . 1 1 48 48 LYS HA H 48 3.760 3.760 4.010 -0.250 19628 3859 1 12 . 1 1 48 48 LYS C C 48 178.378 178.378 178.514 -0.136 19628 3860 1 12 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.782 -1.845 19628 3861 1 12 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.401 -1.992 19628 3862 1 12 . 1 1 49 49 ALA N N 49 121.343 121.343 122.308 -0.965 19628 3863 1 12 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.124 -0.364 19628 3864 1 12 . 1 1 49 49 ALA C C 49 180.075 180.075 179.762 0.313 19628 3865 1 12 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.454 -0.377 19628 3866 1 12 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.341 -0.719 19628 3867 1 12 . 1 1 50 50 GLN N N 50 114.507 114.507 116.514 -2.007 19628 3868 1 12 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.083 0.036 19628 3869 1 12 . 1 1 50 50 GLN C C 50 176.838 176.838 177.003 -0.165 19628 3870 1 12 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.215 -0.572 19628 3871 1 12 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.866 -0.056 19628 3872 1 12 . 1 1 51 51 ALA N N 51 121.078 121.078 121.695 -0.617 19628 3873 1 12 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.275 0.103 19628 3874 1 12 . 1 1 51 51 ALA C C 51 178.394 178.394 178.435 -0.041 19628 3875 1 12 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.993 -1.171 19628 3876 1 12 . 1 1 51 51 ALA CB C 51 19.355 19.355 19.086 0.269 19628 3877 1 12 . 1 1 52 52 THR N N 52 111.735 111.735 111.207 0.528 19628 3878 1 12 . 1 1 52 52 THR HA H 52 4.443 4.443 4.310 0.133 19628 3879 1 12 . 1 1 52 52 THR C C 52 175.345 175.345 174.744 0.601 19628 3880 1 12 . 1 1 52 52 THR CA C 52 61.884 61.884 60.950 0.934 19628 3881 1 12 . 1 1 52 52 THR CB C 52 69.455 69.455 67.306 2.149 19628 3882 1 12 . 1 1 53 53 VAL N N 53 120.702 120.702 122.119 -1.417 19628 3883 1 12 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.808 0.327 19628 3884 1 12 . 1 1 53 53 VAL C C 53 176.425 176.425 176.818 -0.393 19628 3885 1 12 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.296 -1.291 19628 3886 1 12 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.371 1.352 19628 3887 1 12 . 1 1 54 54 ASP N N 54 120.122 120.122 118.477 1.645 19628 3888 1 12 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.466 0.140 19628 3889 1 12 . 1 1 54 54 ASP C C 54 176.471 176.471 176.045 0.426 19628 3890 1 12 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.097 -0.357 19628 3891 1 12 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.283 -0.125 19628 3892 1 12 . 1 1 55 55 ASN N N 55 117.542 117.542 118.007 -0.465 19628 3893 1 12 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.683 0.084 19628 3894 1 12 . 1 1 55 55 ASN C C 55 175.457 175.457 174.732 0.725 19628 3895 1 12 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.764 -0.682 19628 3896 1 12 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.500 -0.800 19628 3897 1 12 . 1 1 56 56 ALA N N 56 122.962 122.962 125.216 -2.254 19628 3898 1 12 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.105 0.202 19628 3899 1 12 . 1 1 56 56 ALA C C 56 178.144 178.144 177.821 0.323 19628 3900 1 12 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.066 -0.876 19628 3901 1 12 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.345 -0.075 19628 3902 1 12 . 1 1 57 57 HIS N N 57 114.258 114.258 113.692 0.566 19628 3903 1 12 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.724 -0.006 19628 3904 1 12 . 1 1 57 57 HIS C C 57 174.283 174.283 173.698 0.585 19628 3905 1 12 . 1 1 57 57 HIS CA C 57 55.538 55.538 55.106 0.432 19628 3906 1 12 . 1 1 57 57 HIS CB C 57 29.348 29.348 31.366 -2.018 19628 3907 1 12 . 1 1 58 58 ALA N N 58 122.364 122.364 124.482 -2.118 19628 3908 1 12 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.674 -0.373 19628 3909 1 12 . 1 1 58 58 ALA C C 58 176.549 176.549 176.510 0.039 19628 3910 1 12 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.694 0.555 19628 3911 1 12 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.999 0.899 19628 3912 1 12 . 1 1 59 59 ARG N N 59 120.664 120.664 123.729 -3.065 19628 3913 1 12 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.550 0.027 19628 3914 1 12 . 1 1 59 59 ARG C C 59 174.047 174.047 174.826 -0.779 19628 3915 1 12 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.442 0.517 19628 3916 1 12 . 1 1 59 59 ARG CB C 59 34.241 34.241 31.436 2.805 19628 3917 1 12 . 1 1 60 60 TYR N N 60 117.222 117.222 124.002 -6.780 19628 3918 1 12 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.530 0.873 19628 3919 1 12 . 1 1 60 60 TYR C C 60 176.206 176.206 174.804 1.402 19628 3920 1 12 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.059 -0.803 19628 3921 1 12 . 1 1 60 60 TYR CB C 60 42.214 42.214 37.455 4.759 19628 3922 1 12 . 1 1 61 61 PHE N N 61 117.727 117.727 122.237 -4.510 19628 3923 1 12 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.004 0.290 19628 3924 1 12 . 1 1 61 61 PHE C C 61 174.358 174.358 175.917 -1.559 19628 3925 1 12 . 1 1 61 61 PHE CA C 61 57.123 57.123 57.018 0.105 19628 3926 1 12 . 1 1 61 61 PHE CB C 61 45.819 45.819 41.204 4.615 19628 3927 1 12 . 1 1 62 62 ILE N N 62 118.711 118.711 118.774 -0.063 19628 3928 1 12 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.609 0.505 19628 3929 1 12 . 1 1 62 62 ILE C C 62 174.937 174.937 175.214 -0.277 19628 3930 1 12 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.278 0.347 19628 3931 1 12 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.491 -0.317 19628 3932 1 12 . 1 1 63 63 ILE N N 63 125.236 125.236 122.082 3.154 19628 3933 1 12 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.530 0.202 19628 3934 1 12 . 1 1 63 63 ILE C C 63 176.218 176.218 174.390 1.828 19628 3935 1 12 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.684 0.137 19628 3936 1 12 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.716 -0.175 19628 3937 1 12 . 1 1 64 64 HIS N N 64 127.707 127.707 121.410 6.297 19628 3938 1 12 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.318 0.235 19628 3939 1 12 . 1 1 64 64 HIS C C 64 174.365 174.365 174.194 0.171 19628 3940 1 12 . 1 1 64 64 HIS CA C 64 53.539 53.539 54.314 -0.775 19628 3941 1 12 . 1 1 64 64 HIS CB C 64 30.765 30.765 29.158 1.607 19628 3942 1 12 . 1 1 65 65 ALA N N 65 131.873 131.873 128.298 3.575 19628 3943 1 12 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.555 -0.000 19628 3944 1 12 . 1 1 65 65 ALA C C 65 174.433 174.433 175.242 -0.809 19628 3945 1 12 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.242 -0.868 19628 3946 1 12 . 1 1 65 65 ALA CB C 65 18.767 18.767 18.969 -0.202 19628 3947 1 12 . 1 1 66 66 HIS N N 66 120.753 120.753 120.856 -0.103 19628 3948 1 12 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.586 -0.415 19628 3949 1 12 . 1 1 66 66 HIS C C 66 175.249 175.249 174.757 0.492 19628 3950 1 12 . 1 1 66 66 HIS CA C 66 57.499 57.499 57.166 0.333 19628 3951 1 12 . 1 1 66 66 HIS CB C 66 30.570 30.570 31.646 -1.076 19628 3952 1 12 . 1 1 67 67 LYS N N 67 117.601 117.601 122.966 -5.365 19628 3953 1 12 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.440 -0.013 19628 3954 1 12 . 1 1 67 67 LYS C C 67 174.799 174.799 175.495 -0.696 19628 3955 1 12 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.727 -0.659 19628 3956 1 12 . 1 1 67 67 LYS CB C 67 34.784 34.784 31.831 2.953 19628 3957 1 12 . 1 1 68 68 LEU N N 68 127.238 127.238 125.155 2.083 19628 3958 1 12 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.478 -0.031 19628 3959 1 12 . 1 1 68 68 LEU C C 68 175.878 175.878 176.887 -1.009 19628 3960 1 12 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.050 1.413 19628 3961 1 12 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.617 -1.045 19628 3962 1 12 . 1 1 69 69 LEU N N 69 123.968 123.968 123.162 0.806 19628 3963 1 12 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.315 0.200 19628 3964 1 12 . 1 1 69 69 LEU C C 69 176.630 176.630 176.452 0.178 19628 3965 1 12 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.838 0.366 19628 3966 1 12 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.755 0.477 19628 3967 1 12 . 1 1 70 70 ASP N N 70 122.630 122.630 127.457 -4.827 19628 3968 1 12 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.923 0.314 19628 3969 1 12 . 1 1 70 70 ASP CA C 70 49.989 49.989 52.153 -2.164 19628 3970 1 12 . 1 1 70 70 ASP CB C 70 42.502 42.502 41.675 0.827 19628 3971 1 12 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.890 -0.583 19628 3972 1 12 . 1 1 71 71 PRO C C 71 177.095 177.095 177.132 -0.037 19628 3973 1 12 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.152 -0.600 19628 3974 1 12 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.459 -1.498 19628 3975 1 12 . 1 1 72 72 SER N N 72 114.226 114.226 113.626 0.600 19628 3976 1 12 . 1 1 72 72 SER HA H 72 4.455 4.455 4.333 0.122 19628 3977 1 12 . 1 1 72 72 SER C C 72 175.162 175.162 175.839 -0.677 19628 3978 1 12 . 1 1 72 72 SER CA C 72 60.232 60.232 59.938 0.294 19628 3979 1 12 . 1 1 72 72 SER CB C 72 63.899 63.899 63.296 0.603 19628 3980 1 12 . 1 1 73 73 GLU N N 73 121.971 121.971 119.983 1.988 19628 3981 1 12 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.386 0.022 19628 3982 1 12 . 1 1 73 73 GLU C C 73 176.312 176.312 176.526 -0.214 19628 3983 1 12 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.214 0.399 19628 3984 1 12 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.303 0.576 19628 3985 1 13 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.492 0.044 19628 3986 1 13 . 1 1 2 2 PRO C C 2 176.988 176.988 176.358 0.630 19628 3987 1 13 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.927 0.405 19628 3988 1 13 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.372 -0.131 19628 3989 1 13 . 1 1 3 3 ASP N N 3 120.121 120.121 123.475 -3.354 19628 3990 1 13 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.581 0.045 19628 3991 1 13 . 1 1 3 3 ASP C C 3 176.550 176.550 175.706 0.844 19628 3992 1 13 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.889 0.695 19628 3993 1 13 . 1 1 3 3 ASP CB C 3 41.274 41.274 40.287 0.987 19628 3994 1 13 . 1 1 4 4 LYS N N 4 120.298 120.298 125.513 -5.215 19628 3995 1 13 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.517 -0.066 19628 3996 1 13 . 1 1 4 4 LYS C C 4 176.439 176.439 176.805 -0.366 19628 3997 1 13 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.501 0.407 19628 3998 1 13 . 1 1 4 4 LYS CB C 4 33.819 33.819 32.207 1.612 19628 3999 1 13 . 1 1 5 5 GLN N N 5 122.085 122.085 122.045 0.040 19628 4000 1 13 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.160 0.303 19628 4001 1 13 . 1 1 5 5 GLN C C 5 175.305 175.305 176.706 -1.401 19628 4002 1 13 . 1 1 5 5 GLN CA C 5 56.317 56.317 55.848 0.469 19628 4003 1 13 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.373 2.095 19628 4004 1 13 . 1 1 6 6 LEU N N 6 127.607 127.607 121.600 6.007 19628 4005 1 13 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.207 0.566 19628 4006 1 13 . 1 1 6 6 LEU C C 6 176.477 176.477 175.808 0.669 19628 4007 1 13 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.553 -1.484 19628 4008 1 13 . 1 1 6 6 LEU CB C 6 42.540 42.540 41.934 0.606 19628 4009 1 13 . 1 1 7 7 LEU N N 7 124.306 124.306 122.141 2.165 19628 4010 1 13 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.906 -0.319 19628 4011 1 13 . 1 1 7 7 LEU C C 7 176.499 176.499 175.732 0.767 19628 4012 1 13 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.331 3.732 19628 4013 1 13 . 1 1 7 7 LEU CB C 7 42.566 42.566 44.145 -1.579 19628 4014 1 13 . 1 1 8 8 HIS N N 8 124.882 124.882 119.775 5.107 19628 4015 1 13 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.150 0.641 19628 4016 1 13 . 1 1 8 8 HIS CA C 8 55.301 55.301 54.907 0.394 19628 4017 1 13 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.373 4.166 19628 4018 1 13 . 1 1 9 9 ILE N N 9 119.723 119.723 120.136 -0.413 19628 4019 1 13 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.317 1.242 19628 4020 1 13 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.070 -2.060 19628 4021 1 13 . 1 1 9 9 ILE CB C 9 42.600 42.600 39.030 3.570 19628 4022 1 13 . 1 1 10 10 VAL N N 10 124.236 124.236 115.387 8.849 19628 4023 1 13 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.765 0.816 19628 4024 1 13 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.711 0.583 19628 4025 1 13 . 1 1 10 10 VAL CB C 10 34.158 34.158 33.613 0.545 19628 4026 1 13 . 1 1 11 11 VAL N N 11 119.677 119.677 122.810 -3.133 19628 4027 1 13 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.604 1.139 19628 4028 1 13 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.569 -1.479 19628 4029 1 13 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.421 1.170 19628 4030 1 13 . 1 1 12 12 GLY N N 12 107.410 107.410 109.743 -2.333 19628 4031 1 13 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.562 2.005 19628 4032 1 13 . 1 1 13 13 GLY N N 13 103.550 103.550 106.928 -3.378 19628 4033 1 13 . 1 1 13 13 GLY C C 13 172.290 172.290 172.706 -0.416 19628 4034 1 13 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.241 0.780 19628 4035 1 13 . 1 1 14 14 GLU N N 14 118.735 118.735 120.404 -1.669 19628 4036 1 13 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.732 -0.125 19628 4037 1 13 . 1 1 14 14 GLU C C 14 177.819 177.819 176.547 1.272 19628 4038 1 13 . 1 1 14 14 GLU CA C 14 56.488 56.488 55.856 0.632 19628 4039 1 13 . 1 1 14 14 GLU CB C 14 31.001 31.001 31.220 -0.219 19628 4040 1 13 . 1 1 15 15 LEU N N 15 125.767 125.767 123.230 2.537 19628 4041 1 13 . 1 1 15 15 LEU HA H 15 4.872 4.872 5.007 -0.135 19628 4042 1 13 . 1 1 15 15 LEU C C 15 178.742 178.742 177.855 0.887 19628 4043 1 13 . 1 1 15 15 LEU CA C 15 54.321 54.321 52.437 1.884 19628 4044 1 13 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.717 -0.736 19628 4045 1 13 . 1 1 16 16 LYS N N 16 120.328 120.328 119.237 1.091 19628 4046 1 13 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.203 -0.046 19628 4047 1 13 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.796 -1.437 19628 4048 1 13 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.114 1.760 19628 4049 1 13 . 1 1 17 17 ASP N N 17 121.541 121.541 114.931 6.610 19628 4050 1 13 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.123 0.741 19628 4051 1 13 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.005 1.480 19628 4052 1 13 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.477 -2.570 19628 4053 1 13 . 1 1 18 18 VAL N N 18 117.413 117.413 116.512 0.901 19628 4054 1 13 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.890 0.443 19628 4055 1 13 . 1 1 18 18 VAL C C 18 175.600 175.600 176.748 -1.148 19628 4056 1 13 . 1 1 18 18 VAL CA C 18 61.089 61.089 65.156 -4.067 19628 4057 1 13 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.736 2.518 19628 4058 1 13 . 1 1 19 19 ALA N N 19 122.852 122.852 120.956 1.896 19628 4059 1 13 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.489 -0.096 19628 4060 1 13 . 1 1 19 19 ALA C C 19 178.737 178.737 178.275 0.462 19628 4061 1 13 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.733 0.208 19628 4062 1 13 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.371 -0.374 19628 4063 1 13 . 1 1 20 20 GLY N N 20 107.686 107.686 107.908 -0.222 19628 4064 1 13 . 1 1 20 20 GLY C C 20 173.316 173.316 173.974 -0.658 19628 4065 1 13 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.832 -0.221 19628 4066 1 13 . 1 1 21 21 VAL N N 21 117.897 117.897 126.174 -8.277 19628 4067 1 13 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.953 -0.003 19628 4068 1 13 . 1 1 21 21 VAL C C 21 174.804 174.804 175.196 -0.392 19628 4069 1 13 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.671 -0.644 19628 4070 1 13 . 1 1 21 21 VAL CB C 21 32.034 32.034 30.507 1.527 19628 4071 1 13 . 1 1 22 22 GLU N N 22 124.637 124.637 125.024 -0.387 19628 4072 1 13 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.232 0.088 19628 4073 1 13 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.572 0.333 19628 4074 1 13 . 1 1 22 22 GLU CB C 22 32.883 32.883 32.193 0.690 19628 4075 1 13 . 1 1 23 23 PHE N N 23 124.102 124.102 123.975 0.127 19628 4076 1 13 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.543 0.152 19628 4077 1 13 . 1 1 23 23 PHE C C 23 177.013 177.013 176.999 0.014 19628 4078 1 13 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.026 0.993 19628 4079 1 13 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.409 0.362 19628 4080 1 13 . 1 1 24 24 ARG N N 24 121.555 121.555 124.821 -3.266 19628 4081 1 13 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.043 -0.175 19628 4082 1 13 . 1 1 24 24 ARG C C 24 176.567 176.567 176.412 0.155 19628 4083 1 13 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.754 0.548 19628 4084 1 13 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.952 -0.097 19628 4085 1 13 . 1 1 25 25 ASP N N 25 116.629 116.629 115.518 1.111 19628 4086 1 13 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.842 -0.051 19628 4087 1 13 . 1 1 25 25 ASP C C 25 177.266 177.266 176.717 0.549 19628 4088 1 13 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.354 -0.546 19628 4089 1 13 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.995 -1.033 19628 4090 1 13 . 1 1 26 26 LEU N N 26 125.814 125.814 125.354 0.460 19628 4091 1 13 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.296 -0.340 19628 4092 1 13 . 1 1 26 26 LEU C C 26 178.850 178.850 177.040 1.810 19628 4093 1 13 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.376 0.979 19628 4094 1 13 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.018 -0.108 19628 4095 1 13 . 1 1 27 27 SER N N 27 113.793 113.793 112.052 1.741 19628 4096 1 13 . 1 1 27 27 SER HA H 27 4.454 4.454 4.551 -0.097 19628 4097 1 13 . 1 1 27 27 SER C C 27 175.696 175.696 174.596 1.100 19628 4098 1 13 . 1 1 27 27 SER CA C 27 60.804 60.804 58.385 2.419 19628 4099 1 13 . 1 1 27 27 SER CB C 27 63.311 63.311 64.240 -0.929 19628 4100 1 13 . 1 1 28 28 LYS N N 28 120.122 120.122 120.324 -0.202 19628 4101 1 13 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.398 0.223 19628 4102 1 13 . 1 1 28 28 LYS C C 28 177.281 177.281 175.743 1.538 19628 4103 1 13 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.570 -0.907 19628 4104 1 13 . 1 1 28 28 LYS CB C 28 33.076 33.076 33.544 -0.468 19628 4105 1 13 . 1 1 29 29 VAL N N 29 120.916 120.916 122.302 -1.386 19628 4106 1 13 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.649 0.224 19628 4107 1 13 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.706 2.919 19628 4108 1 13 . 1 1 29 29 VAL CB C 29 32.440 32.440 30.716 1.724 19628 4109 1 13 . 1 1 30 30 GLU N N 30 127.248 127.248 128.643 -1.395 19628 4110 1 13 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.103 0.291 19628 4111 1 13 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.831 -1.404 19628 4112 1 13 . 1 1 30 30 GLU CB C 30 32.178 32.178 29.699 2.479 19628 4113 1 13 . 1 1 31 31 PHE N N 31 126.351 126.351 125.797 0.554 19628 4114 1 13 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.511 -0.035 19628 4115 1 13 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.432 -2.000 19628 4116 1 13 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.882 -3.247 19628 4117 1 13 . 1 1 32 32 VAL N N 32 128.354 128.354 122.529 5.825 19628 4118 1 13 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.951 -0.084 19628 4119 1 13 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.761 0.259 19628 4120 1 13 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.287 -0.213 19628 4121 1 13 . 1 1 33 33 GLY N N 33 107.690 107.690 106.055 1.635 19628 4122 1 13 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.724 1.042 19628 4123 1 13 . 1 1 34 34 ALA N N 34 120.706 120.706 122.351 -1.645 19628 4124 1 13 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.860 0.294 19628 4125 1 13 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.093 -2.274 19628 4126 1 13 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.304 0.558 19628 4127 1 13 . 1 1 35 35 TYR N N 35 115.457 115.457 121.360 -5.903 19628 4128 1 13 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.841 0.102 19628 4129 1 13 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.246 1.081 19628 4130 1 13 . 1 1 35 35 TYR CB C 35 42.558 42.558 39.765 2.793 19628 4131 1 13 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.439 0.221 19628 4132 1 13 . 1 1 36 36 PRO C C 36 174.733 174.733 175.792 -1.059 19628 4133 1 13 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.727 0.212 19628 4134 1 13 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.114 0.253 19628 4135 1 13 . 1 1 37 37 SER N N 37 109.883 109.883 112.133 -2.250 19628 4136 1 13 . 1 1 37 37 SER HA H 37 4.819 4.819 4.752 0.067 19628 4137 1 13 . 1 1 37 37 SER C C 37 173.943 173.943 174.554 -0.611 19628 4138 1 13 . 1 1 37 37 SER CA C 37 56.502 56.502 56.738 -0.236 19628 4139 1 13 . 1 1 37 37 SER CB C 37 66.351 66.351 65.583 0.768 19628 4140 1 13 . 1 1 38 38 TYR N N 38 122.819 122.819 127.385 -4.566 19628 4141 1 13 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.260 -1.209 19628 4142 1 13 . 1 1 38 38 TYR C C 38 177.295 177.295 177.051 0.244 19628 4143 1 13 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.256 0.817 19628 4144 1 13 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.628 -0.964 19628 4145 1 13 . 1 1 39 39 ASP N N 39 116.964 116.964 118.163 -1.199 19628 4146 1 13 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.097 0.124 19628 4147 1 13 . 1 1 39 39 ASP C C 39 179.740 179.740 178.316 1.424 19628 4148 1 13 . 1 1 39 39 ASP CA C 39 57.754 57.754 58.316 -0.561 19628 4149 1 13 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.469 0.426 19628 4150 1 13 . 1 1 40 40 GLU N N 40 116.783 116.783 118.233 -1.450 19628 4151 1 13 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.978 -0.009 19628 4152 1 13 . 1 1 40 40 GLU C C 40 178.947 178.947 178.300 0.647 19628 4153 1 13 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.934 0.279 19628 4154 1 13 . 1 1 40 40 GLU CB C 40 30.282 30.282 29.096 1.186 19628 4155 1 13 . 1 1 41 41 ALA N N 41 122.522 122.522 121.495 1.027 19628 4156 1 13 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.861 -0.821 19628 4157 1 13 . 1 1 41 41 ALA C C 41 178.474 178.474 179.320 -0.846 19628 4158 1 13 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.626 -0.511 19628 4159 1 13 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.292 0.256 19628 4160 1 13 . 1 1 42 42 HIS N N 42 118.486 118.486 117.597 0.889 19628 4161 1 13 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.168 -0.318 19628 4162 1 13 . 1 1 42 42 HIS C C 42 177.400 177.400 177.118 0.282 19628 4163 1 13 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.377 1.810 19628 4164 1 13 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.763 0.236 19628 4165 1 13 . 1 1 43 43 LYS N N 43 118.483 118.483 119.167 -0.684 19628 4166 1 13 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.126 -0.271 19628 4167 1 13 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.741 2.343 19628 4168 1 13 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.116 0.580 19628 4169 1 13 . 1 1 44 44 ALA N N 44 121.891 121.891 122.212 -0.321 19628 4170 1 13 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.002 -0.035 19628 4171 1 13 . 1 1 44 44 ALA C C 44 180.412 180.412 178.726 1.686 19628 4172 1 13 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.796 -0.091 19628 4173 1 13 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.777 1.282 19628 4174 1 13 . 1 1 45 45 TRP N N 45 119.065 119.065 119.938 -0.873 19628 4175 1 13 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.265 -0.831 19628 4176 1 13 . 1 1 45 45 TRP C C 45 176.748 176.748 177.452 -0.704 19628 4177 1 13 . 1 1 45 45 TRP CA C 45 62.540 62.540 60.976 1.564 19628 4178 1 13 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.110 0.032 19628 4179 1 13 . 1 1 46 46 LYS N N 46 119.011 119.011 119.363 -0.352 19628 4180 1 13 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.123 -0.180 19628 4181 1 13 . 1 1 46 46 LYS C C 46 178.523 178.523 178.239 0.284 19628 4182 1 13 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.437 0.850 19628 4183 1 13 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.486 1.051 19628 4184 1 13 . 1 1 47 47 ALA N N 47 118.189 118.189 121.975 -3.786 19628 4185 1 13 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.962 -0.002 19628 4186 1 13 . 1 1 47 47 ALA C C 47 180.604 180.604 179.962 0.642 19628 4187 1 13 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.047 -0.844 19628 4188 1 13 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.115 0.052 19628 4189 1 13 . 1 1 48 48 LYS N N 48 116.778 116.778 117.511 -0.733 19628 4190 1 13 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.977 -0.217 19628 4191 1 13 . 1 1 48 48 LYS C C 48 178.378 178.378 178.725 -0.347 19628 4192 1 13 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.865 -1.928 19628 4193 1 13 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.219 -1.810 19628 4194 1 13 . 1 1 49 49 ALA N N 49 121.343 121.343 123.082 -1.739 19628 4195 1 13 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.076 -0.316 19628 4196 1 13 . 1 1 49 49 ALA C C 49 180.075 180.075 180.008 0.067 19628 4197 1 13 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.529 -0.452 19628 4198 1 13 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.066 -0.444 19628 4199 1 13 . 1 1 50 50 GLN N N 50 114.507 114.507 117.064 -2.557 19628 4200 1 13 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.023 0.096 19628 4201 1 13 . 1 1 50 50 GLN C C 50 176.838 176.838 178.537 -1.699 19628 4202 1 13 . 1 1 50 50 GLN CA C 50 56.643 56.643 58.152 -1.509 19628 4203 1 13 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.739 0.071 19628 4204 1 13 . 1 1 51 51 ALA N N 51 121.078 121.078 121.038 0.040 19628 4205 1 13 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.160 0.218 19628 4206 1 13 . 1 1 51 51 ALA C C 51 178.394 178.394 178.536 -0.142 19628 4207 1 13 . 1 1 51 51 ALA CA C 51 52.823 52.823 54.241 -1.418 19628 4208 1 13 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.703 0.652 19628 4209 1 13 . 1 1 52 52 THR N N 52 111.735 111.735 108.110 3.625 19628 4210 1 13 . 1 1 52 52 THR HA H 52 4.443 4.443 4.499 -0.056 19628 4211 1 13 . 1 1 52 52 THR C C 52 175.345 175.345 174.670 0.675 19628 4212 1 13 . 1 1 52 52 THR CA C 52 61.884 61.884 60.355 1.529 19628 4213 1 13 . 1 1 52 52 THR CB C 52 69.455 69.455 68.915 0.540 19628 4214 1 13 . 1 1 53 53 VAL N N 53 120.702 120.702 120.766 -0.064 19628 4215 1 13 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.717 0.418 19628 4216 1 13 . 1 1 53 53 VAL C C 53 176.425 176.425 176.795 -0.370 19628 4217 1 13 . 1 1 53 53 VAL CA C 53 63.005 63.005 65.004 -1.999 19628 4218 1 13 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.964 0.759 19628 4219 1 13 . 1 1 54 54 ASP N N 54 120.122 120.122 118.770 1.352 19628 4220 1 13 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.389 0.217 19628 4221 1 13 . 1 1 54 54 ASP C C 54 176.471 176.471 176.205 0.266 19628 4222 1 13 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.929 -1.190 19628 4223 1 13 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.069 0.089 19628 4224 1 13 . 1 1 55 55 ASN N N 55 117.542 117.542 117.857 -0.315 19628 4225 1 13 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.634 0.133 19628 4226 1 13 . 1 1 55 55 ASN C C 55 175.457 175.457 175.709 -0.252 19628 4227 1 13 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.665 -0.583 19628 4228 1 13 . 1 1 55 55 ASN CB C 55 38.700 38.700 38.878 -0.178 19628 4229 1 13 . 1 1 56 56 ALA N N 56 122.962 122.962 124.185 -1.223 19628 4230 1 13 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.058 0.249 19628 4231 1 13 . 1 1 56 56 ALA C C 56 178.144 178.144 177.823 0.321 19628 4232 1 13 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.386 -1.197 19628 4233 1 13 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.247 0.023 19628 4234 1 13 . 1 1 57 57 HIS N N 57 114.258 114.258 113.804 0.454 19628 4235 1 13 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.749 -0.031 19628 4236 1 13 . 1 1 57 57 HIS C C 57 174.283 174.283 173.699 0.584 19628 4237 1 13 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.077 1.461 19628 4238 1 13 . 1 1 57 57 HIS CB C 57 29.348 29.348 30.517 -1.169 19628 4239 1 13 . 1 1 58 58 ALA N N 58 122.364 122.364 124.437 -2.073 19628 4240 1 13 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.573 -0.272 19628 4241 1 13 . 1 1 58 58 ALA C C 58 176.549 176.549 177.137 -0.588 19628 4242 1 13 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.791 0.458 19628 4243 1 13 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.523 1.375 19628 4244 1 13 . 1 1 59 59 ARG N N 59 120.664 120.664 124.632 -3.968 19628 4245 1 13 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.644 -0.067 19628 4246 1 13 . 1 1 59 59 ARG C C 59 174.047 174.047 174.477 -0.430 19628 4247 1 13 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.296 0.663 19628 4248 1 13 . 1 1 59 59 ARG CB C 59 34.241 34.241 30.464 3.777 19628 4249 1 13 . 1 1 60 60 TYR N N 60 117.222 117.222 123.513 -6.291 19628 4250 1 13 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.534 0.869 19628 4251 1 13 . 1 1 60 60 TYR C C 60 176.206 176.206 174.601 1.605 19628 4252 1 13 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.529 -1.273 19628 4253 1 13 . 1 1 60 60 TYR CB C 60 42.214 42.214 38.958 3.256 19628 4254 1 13 . 1 1 61 61 PHE N N 61 117.727 117.727 121.231 -3.504 19628 4255 1 13 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.230 0.064 19628 4256 1 13 . 1 1 61 61 PHE C C 61 174.358 174.358 174.621 -0.263 19628 4257 1 13 . 1 1 61 61 PHE CA C 61 57.123 57.123 57.027 0.096 19628 4258 1 13 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.107 3.712 19628 4259 1 13 . 1 1 62 62 ILE N N 62 118.711 118.711 117.820 0.891 19628 4260 1 13 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.682 0.432 19628 4261 1 13 . 1 1 62 62 ILE C C 62 174.937 174.937 174.925 0.012 19628 4262 1 13 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.248 0.377 19628 4263 1 13 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.411 -0.237 19628 4264 1 13 . 1 1 63 63 ILE N N 63 125.236 125.236 122.437 2.799 19628 4265 1 13 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.370 0.362 19628 4266 1 13 . 1 1 63 63 ILE C C 63 176.218 176.218 174.395 1.823 19628 4267 1 13 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.866 -0.045 19628 4268 1 13 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.669 -0.128 19628 4269 1 13 . 1 1 64 64 HIS N N 64 127.707 127.707 123.130 4.577 19628 4270 1 13 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.342 0.211 19628 4271 1 13 . 1 1 64 64 HIS C C 64 174.365 174.365 174.430 -0.065 19628 4272 1 13 . 1 1 64 64 HIS CA C 64 53.539 53.539 54.819 -1.280 19628 4273 1 13 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.101 2.664 19628 4274 1 13 . 1 1 65 65 ALA N N 65 131.873 131.873 127.380 4.493 19628 4275 1 13 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.453 0.102 19628 4276 1 13 . 1 1 65 65 ALA C C 65 174.433 174.433 176.565 -2.132 19628 4277 1 13 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.954 -1.580 19628 4278 1 13 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.643 -0.876 19628 4279 1 13 . 1 1 66 66 HIS N N 66 120.753 120.753 117.740 3.013 19628 4280 1 13 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.440 -0.269 19628 4281 1 13 . 1 1 66 66 HIS C C 66 175.249 175.249 175.089 0.160 19628 4282 1 13 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.252 -0.753 19628 4283 1 13 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.008 0.562 19628 4284 1 13 . 1 1 67 67 LYS N N 67 117.601 117.601 120.401 -2.800 19628 4285 1 13 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.485 -0.058 19628 4286 1 13 . 1 1 67 67 LYS C C 67 174.799 174.799 175.011 -0.212 19628 4287 1 13 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.736 -0.668 19628 4288 1 13 . 1 1 67 67 LYS CB C 67 34.784 34.784 33.112 1.672 19628 4289 1 13 . 1 1 68 68 LEU N N 68 127.238 127.238 125.101 2.137 19628 4290 1 13 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.360 0.087 19628 4291 1 13 . 1 1 68 68 LEU C C 68 175.878 175.878 177.273 -1.395 19628 4292 1 13 . 1 1 68 68 LEU CA C 68 54.463 54.463 54.556 -0.093 19628 4293 1 13 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.773 -1.200 19628 4294 1 13 . 1 1 69 69 LEU N N 69 123.968 123.968 122.475 1.493 19628 4295 1 13 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.410 0.105 19628 4296 1 13 . 1 1 69 69 LEU C C 69 176.630 176.630 175.953 0.677 19628 4297 1 13 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.895 0.309 19628 4298 1 13 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.436 0.796 19628 4299 1 13 . 1 1 70 70 ASP N N 70 122.630 122.630 126.696 -4.066 19628 4300 1 13 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.911 0.326 19628 4301 1 13 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.675 -1.686 19628 4302 1 13 . 1 1 70 70 ASP CB C 70 42.502 42.502 41.364 1.138 19628 4303 1 13 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.343 -0.036 19628 4304 1 13 . 1 1 71 71 PRO C C 71 177.095 177.095 178.276 -1.181 19628 4305 1 13 . 1 1 71 71 PRO CA C 71 62.552 62.552 64.177 -1.625 19628 4306 1 13 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.014 -1.053 19628 4307 1 13 . 1 1 72 72 SER N N 72 114.226 114.226 113.780 0.446 19628 4308 1 13 . 1 1 72 72 SER HA H 72 4.455 4.455 4.347 0.108 19628 4309 1 13 . 1 1 72 72 SER C C 72 175.162 175.162 174.814 0.348 19628 4310 1 13 . 1 1 72 72 SER CA C 72 60.232 60.232 60.506 -0.274 19628 4311 1 13 . 1 1 72 72 SER CB C 72 63.899 63.899 63.212 0.687 19628 4312 1 13 . 1 1 73 73 GLU N N 73 121.971 121.971 120.516 1.455 19628 4313 1 13 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.573 -0.165 19628 4314 1 13 . 1 1 73 73 GLU C C 73 176.312 176.312 176.392 -0.080 19628 4315 1 13 . 1 1 73 73 GLU CA C 73 56.613 56.613 55.205 1.408 19628 4316 1 13 . 1 1 73 73 GLU CB C 73 30.879 30.879 29.865 1.014 19628 4317 1 14 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.644 -0.108 19628 4318 1 14 . 1 1 2 2 PRO C C 2 176.988 176.988 176.277 0.711 19628 4319 1 14 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.605 0.727 19628 4320 1 14 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.505 -0.264 19628 4321 1 14 . 1 1 3 3 ASP N N 3 120.121 120.121 118.641 1.480 19628 4322 1 14 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.544 0.082 19628 4323 1 14 . 1 1 3 3 ASP C C 3 176.550 176.550 175.422 1.128 19628 4324 1 14 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.316 1.268 19628 4325 1 14 . 1 1 3 3 ASP CB C 3 41.274 41.274 39.252 2.022 19628 4326 1 14 . 1 1 4 4 LYS N N 4 120.298 120.298 121.641 -1.343 19628 4327 1 14 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.296 0.155 19628 4328 1 14 . 1 1 4 4 LYS C C 4 176.439 176.439 177.064 -0.625 19628 4329 1 14 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.774 0.134 19628 4330 1 14 . 1 1 4 4 LYS CB C 4 33.819 33.819 32.050 1.769 19628 4331 1 14 . 1 1 5 5 GLN N N 5 122.085 122.085 123.424 -1.339 19628 4332 1 14 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.298 0.165 19628 4333 1 14 . 1 1 5 5 GLN C C 5 175.305 175.305 176.138 -0.833 19628 4334 1 14 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.939 -0.622 19628 4335 1 14 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.432 2.036 19628 4336 1 14 . 1 1 6 6 LEU N N 6 127.607 127.607 121.638 5.969 19628 4337 1 14 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.441 0.332 19628 4338 1 14 . 1 1 6 6 LEU C C 6 176.477 176.477 176.112 0.365 19628 4339 1 14 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.101 -1.032 19628 4340 1 14 . 1 1 6 6 LEU CB C 6 42.540 42.540 41.772 0.768 19628 4341 1 14 . 1 1 7 7 LEU N N 7 124.306 124.306 123.689 0.617 19628 4342 1 14 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.972 -0.385 19628 4343 1 14 . 1 1 7 7 LEU C C 7 176.499 176.499 175.473 1.026 19628 4344 1 14 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.099 3.963 19628 4345 1 14 . 1 1 7 7 LEU CB C 7 42.566 42.566 44.707 -2.141 19628 4346 1 14 . 1 1 8 8 HIS N N 8 124.882 124.882 118.802 6.080 19628 4347 1 14 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.191 0.600 19628 4348 1 14 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.186 0.115 19628 4349 1 14 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.994 4.545 19628 4350 1 14 . 1 1 9 9 ILE N N 9 119.723 119.723 119.739 -0.016 19628 4351 1 14 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.620 0.939 19628 4352 1 14 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.273 -2.263 19628 4353 1 14 . 1 1 9 9 ILE CB C 9 42.600 42.600 39.196 3.404 19628 4354 1 14 . 1 1 10 10 VAL N N 10 124.236 124.236 115.862 8.374 19628 4355 1 14 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.963 0.618 19628 4356 1 14 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.352 0.942 19628 4357 1 14 . 1 1 10 10 VAL CB C 10 34.158 34.158 33.101 1.057 19628 4358 1 14 . 1 1 11 11 VAL N N 11 119.677 119.677 119.471 0.206 19628 4359 1 14 . 1 1 11 11 VAL HA H 11 5.743 5.743 5.003 0.740 19628 4360 1 14 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.167 -1.077 19628 4361 1 14 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.248 1.343 19628 4362 1 14 . 1 1 12 12 GLY N N 12 107.410 107.410 106.959 0.451 19628 4363 1 14 . 1 1 12 12 GLY CA C 12 46.567 46.567 45.063 1.504 19628 4364 1 14 . 1 1 13 13 GLY N N 13 103.550 103.550 107.591 -4.041 19628 4365 1 14 . 1 1 13 13 GLY C C 13 172.290 172.290 172.502 -0.212 19628 4366 1 14 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.384 0.637 19628 4367 1 14 . 1 1 14 14 GLU N N 14 118.735 118.735 120.360 -1.625 19628 4368 1 14 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.683 -0.076 19628 4369 1 14 . 1 1 14 14 GLU C C 14 177.819 177.819 176.524 1.295 19628 4370 1 14 . 1 1 14 14 GLU CA C 14 56.488 56.488 55.758 0.730 19628 4371 1 14 . 1 1 14 14 GLU CB C 14 31.001 31.001 31.341 -0.340 19628 4372 1 14 . 1 1 15 15 LEU N N 15 125.767 125.767 123.047 2.720 19628 4373 1 14 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.953 -0.081 19628 4374 1 14 . 1 1 15 15 LEU C C 15 178.742 178.742 177.037 1.705 19628 4375 1 14 . 1 1 15 15 LEU CA C 15 54.321 54.321 52.766 1.556 19628 4376 1 14 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.470 -0.489 19628 4377 1 14 . 1 1 16 16 LYS N N 16 120.328 120.328 118.939 1.389 19628 4378 1 14 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.181 -0.024 19628 4379 1 14 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.324 -0.965 19628 4380 1 14 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.125 1.749 19628 4381 1 14 . 1 1 17 17 ASP N N 17 121.541 121.541 116.943 4.598 19628 4382 1 14 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.895 -0.031 19628 4383 1 14 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.759 0.725 19628 4384 1 14 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.420 -2.512 19628 4385 1 14 . 1 1 18 18 VAL N N 18 117.413 117.413 115.577 1.836 19628 4386 1 14 . 1 1 18 18 VAL HA H 18 4.333 4.333 4.172 0.161 19628 4387 1 14 . 1 1 18 18 VAL C C 18 175.600 175.600 176.427 -0.827 19628 4388 1 14 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.336 -3.247 19628 4389 1 14 . 1 1 18 18 VAL CB C 18 34.254 34.254 32.733 1.521 19628 4390 1 14 . 1 1 19 19 ALA N N 19 122.852 122.852 122.720 0.132 19628 4391 1 14 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.498 -0.105 19628 4392 1 14 . 1 1 19 19 ALA C C 19 178.737 178.737 178.395 0.342 19628 4393 1 14 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.717 0.224 19628 4394 1 14 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.256 -0.259 19628 4395 1 14 . 1 1 20 20 GLY N N 20 107.686 107.686 107.607 0.079 19628 4396 1 14 . 1 1 20 20 GLY C C 20 173.316 173.316 174.965 -1.649 19628 4397 1 14 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.544 0.067 19628 4398 1 14 . 1 1 21 21 VAL N N 21 117.897 117.897 123.708 -5.811 19628 4399 1 14 . 1 1 21 21 VAL HA H 21 3.950 3.950 4.014 -0.064 19628 4400 1 14 . 1 1 21 21 VAL C C 21 174.804 174.804 175.434 -0.630 19628 4401 1 14 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.206 0.821 19628 4402 1 14 . 1 1 21 21 VAL CB C 21 32.034 32.034 30.612 1.422 19628 4403 1 14 . 1 1 22 22 GLU N N 22 124.637 124.637 122.698 1.939 19628 4404 1 14 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.320 0.000 19628 4405 1 14 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.399 0.506 19628 4406 1 14 . 1 1 22 22 GLU CB C 22 32.883 32.883 28.911 3.972 19628 4407 1 14 . 1 1 23 23 PHE N N 23 124.102 124.102 125.088 -0.986 19628 4408 1 14 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.420 0.275 19628 4409 1 14 . 1 1 23 23 PHE C C 23 177.013 177.013 176.905 0.108 19628 4410 1 14 . 1 1 23 23 PHE CA C 23 59.019 59.019 59.518 -0.499 19628 4411 1 14 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.517 0.254 19628 4412 1 14 . 1 1 24 24 ARG N N 24 121.555 121.555 124.492 -2.937 19628 4413 1 14 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.058 -0.190 19628 4414 1 14 . 1 1 24 24 ARG C C 24 176.567 176.567 176.035 0.532 19628 4415 1 14 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.458 0.844 19628 4416 1 14 . 1 1 24 24 ARG CB C 24 30.855 30.855 31.040 -0.185 19628 4417 1 14 . 1 1 25 25 ASP N N 25 116.629 116.629 116.039 0.590 19628 4418 1 14 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.727 0.064 19628 4419 1 14 . 1 1 25 25 ASP C C 25 177.266 177.266 176.549 0.717 19628 4420 1 14 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.248 -0.441 19628 4421 1 14 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.874 -0.912 19628 4422 1 14 . 1 1 26 26 LEU N N 26 125.814 125.814 124.175 1.639 19628 4423 1 14 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.300 -0.344 19628 4424 1 14 . 1 1 26 26 LEU C C 26 178.850 178.850 178.066 0.784 19628 4425 1 14 . 1 1 26 26 LEU CA C 26 57.354 57.354 55.909 1.445 19628 4426 1 14 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.202 -0.292 19628 4427 1 14 . 1 1 27 27 SER N N 27 113.793 113.793 114.306 -0.513 19628 4428 1 14 . 1 1 27 27 SER HA H 27 4.454 4.454 4.356 0.098 19628 4429 1 14 . 1 1 27 27 SER C C 27 175.696 175.696 175.000 0.696 19628 4430 1 14 . 1 1 27 27 SER CA C 27 60.804 60.804 60.373 0.431 19628 4431 1 14 . 1 1 27 27 SER CB C 27 63.311 63.311 63.271 0.040 19628 4432 1 14 . 1 1 28 28 LYS N N 28 120.122 120.122 120.109 0.013 19628 4433 1 14 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.339 0.282 19628 4434 1 14 . 1 1 28 28 LYS C C 28 177.281 177.281 175.430 1.851 19628 4435 1 14 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.391 -0.728 19628 4436 1 14 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.642 0.434 19628 4437 1 14 . 1 1 29 29 VAL N N 29 120.916 120.916 121.079 -0.163 19628 4438 1 14 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.689 0.184 19628 4439 1 14 . 1 1 29 29 VAL CA C 29 63.625 63.625 62.077 1.548 19628 4440 1 14 . 1 1 29 29 VAL CB C 29 32.440 32.440 31.065 1.375 19628 4441 1 14 . 1 1 30 30 GLU N N 30 127.248 127.248 128.500 -1.252 19628 4442 1 14 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.228 0.166 19628 4443 1 14 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.465 -1.038 19628 4444 1 14 . 1 1 30 30 GLU CB C 30 32.178 32.178 29.895 2.283 19628 4445 1 14 . 1 1 31 31 PHE N N 31 126.351 126.351 126.286 0.065 19628 4446 1 14 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.485 -0.009 19628 4447 1 14 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.837 -2.404 19628 4448 1 14 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.391 -2.756 19628 4449 1 14 . 1 1 32 32 VAL N N 32 128.354 128.354 123.635 4.719 19628 4450 1 14 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.844 0.023 19628 4451 1 14 . 1 1 32 32 VAL CA C 32 64.020 64.020 64.033 -0.013 19628 4452 1 14 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.428 -0.354 19628 4453 1 14 . 1 1 33 33 GLY N N 33 107.690 107.690 105.007 2.683 19628 4454 1 14 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.650 1.116 19628 4455 1 14 . 1 1 34 34 ALA N N 34 120.706 120.706 121.508 -0.802 19628 4456 1 14 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.842 0.312 19628 4457 1 14 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.095 -2.276 19628 4458 1 14 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.008 0.854 19628 4459 1 14 . 1 1 35 35 TYR N N 35 115.457 115.457 118.408 -2.951 19628 4460 1 14 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.853 0.090 19628 4461 1 14 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.541 0.786 19628 4462 1 14 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.916 1.642 19628 4463 1 14 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.441 0.219 19628 4464 1 14 . 1 1 36 36 PRO C C 36 174.733 174.733 175.690 -0.957 19628 4465 1 14 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.593 0.346 19628 4466 1 14 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.169 0.198 19628 4467 1 14 . 1 1 37 37 SER N N 37 109.883 109.883 111.943 -2.060 19628 4468 1 14 . 1 1 37 37 SER HA H 37 4.819 4.819 4.814 0.005 19628 4469 1 14 . 1 1 37 37 SER C C 37 173.943 173.943 174.386 -0.443 19628 4470 1 14 . 1 1 37 37 SER CA C 37 56.502 56.502 57.159 -0.657 19628 4471 1 14 . 1 1 37 37 SER CB C 37 66.351 66.351 65.626 0.725 19628 4472 1 14 . 1 1 38 38 TYR N N 38 122.819 122.819 126.981 -4.162 19628 4473 1 14 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.052 -1.001 19628 4474 1 14 . 1 1 38 38 TYR C C 38 177.295 177.295 176.836 0.459 19628 4475 1 14 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.774 0.299 19628 4476 1 14 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.313 -0.649 19628 4477 1 14 . 1 1 39 39 ASP N N 39 116.964 116.964 116.238 0.726 19628 4478 1 14 . 1 1 39 39 ASP HA H 39 4.221 4.221 3.991 0.230 19628 4479 1 14 . 1 1 39 39 ASP C C 39 179.740 179.740 178.086 1.654 19628 4480 1 14 . 1 1 39 39 ASP CA C 39 57.754 57.754 56.446 1.308 19628 4481 1 14 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.316 0.579 19628 4482 1 14 . 1 1 40 40 GLU N N 40 116.783 116.783 118.492 -1.709 19628 4483 1 14 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.914 0.055 19628 4484 1 14 . 1 1 40 40 GLU C C 40 178.947 178.947 177.876 1.071 19628 4485 1 14 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.358 0.854 19628 4486 1 14 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.911 1.371 19628 4487 1 14 . 1 1 41 41 ALA N N 41 122.522 122.522 122.159 0.363 19628 4488 1 14 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.058 -1.018 19628 4489 1 14 . 1 1 41 41 ALA C C 41 178.474 178.474 179.011 -0.537 19628 4490 1 14 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.734 -0.619 19628 4491 1 14 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.280 0.268 19628 4492 1 14 . 1 1 42 42 HIS N N 42 118.486 118.486 117.493 0.993 19628 4493 1 14 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.133 -0.283 19628 4494 1 14 . 1 1 42 42 HIS C C 42 177.400 177.400 177.189 0.211 19628 4495 1 14 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.921 1.266 19628 4496 1 14 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.639 0.360 19628 4497 1 14 . 1 1 43 43 LYS N N 43 118.483 118.483 118.555 -0.072 19628 4498 1 14 . 1 1 43 43 LYS HA H 43 3.855 3.855 3.973 -0.118 19628 4499 1 14 . 1 1 43 43 LYS CA C 43 60.084 60.084 58.329 1.755 19628 4500 1 14 . 1 1 43 43 LYS CB C 43 32.696 32.696 31.862 0.834 19628 4501 1 14 . 1 1 44 44 ALA N N 44 121.891 121.891 122.239 -0.348 19628 4502 1 14 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.051 -0.084 19628 4503 1 14 . 1 1 44 44 ALA C C 44 180.412 180.412 179.114 1.298 19628 4504 1 14 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.709 -0.004 19628 4505 1 14 . 1 1 44 44 ALA CB C 44 19.059 19.059 18.037 1.022 19628 4506 1 14 . 1 1 45 45 TRP N N 45 119.065 119.065 120.279 -1.214 19628 4507 1 14 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.247 -0.813 19628 4508 1 14 . 1 1 45 45 TRP C C 45 176.748 176.748 177.345 -0.597 19628 4509 1 14 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.369 1.171 19628 4510 1 14 . 1 1 45 45 TRP CB C 45 29.142 29.142 28.964 0.178 19628 4511 1 14 . 1 1 46 46 LYS N N 46 119.011 119.011 118.927 0.084 19628 4512 1 14 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.031 -0.088 19628 4513 1 14 . 1 1 46 46 LYS C C 46 178.523 178.523 178.230 0.293 19628 4514 1 14 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.211 1.076 19628 4515 1 14 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.196 1.341 19628 4516 1 14 . 1 1 47 47 ALA N N 47 118.189 118.189 122.126 -3.937 19628 4517 1 14 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.943 0.017 19628 4518 1 14 . 1 1 47 47 ALA C C 47 180.604 180.604 179.894 0.710 19628 4519 1 14 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.120 -0.917 19628 4520 1 14 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.159 0.008 19628 4521 1 14 . 1 1 48 48 LYS N N 48 116.778 116.778 118.167 -1.389 19628 4522 1 14 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.875 -0.115 19628 4523 1 14 . 1 1 48 48 LYS C C 48 178.378 178.378 178.567 -0.189 19628 4524 1 14 . 1 1 48 48 LYS CA C 48 55.937 55.937 58.109 -2.172 19628 4525 1 14 . 1 1 48 48 LYS CB C 48 30.409 30.409 31.826 -1.417 19628 4526 1 14 . 1 1 49 49 ALA N N 49 121.343 121.343 121.908 -0.565 19628 4527 1 14 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.221 -0.461 19628 4528 1 14 . 1 1 49 49 ALA C C 49 180.075 180.075 179.941 0.134 19628 4529 1 14 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.662 -0.585 19628 4530 1 14 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.366 -0.744 19628 4531 1 14 . 1 1 50 50 GLN N N 50 114.507 114.507 116.282 -1.775 19628 4532 1 14 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.078 0.041 19628 4533 1 14 . 1 1 50 50 GLN C C 50 176.838 176.838 176.962 -0.124 19628 4534 1 14 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.397 -0.754 19628 4535 1 14 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.797 0.012 19628 4536 1 14 . 1 1 51 51 ALA N N 51 121.078 121.078 121.770 -0.692 19628 4537 1 14 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.278 0.100 19628 4538 1 14 . 1 1 51 51 ALA C C 51 178.394 178.394 178.678 -0.284 19628 4539 1 14 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.900 -1.077 19628 4540 1 14 . 1 1 51 51 ALA CB C 51 19.355 19.355 19.250 0.105 19628 4541 1 14 . 1 1 52 52 THR N N 52 111.735 111.735 112.584 -0.849 19628 4542 1 14 . 1 1 52 52 THR HA H 52 4.443 4.443 4.320 0.123 19628 4543 1 14 . 1 1 52 52 THR C C 52 175.345 175.345 174.631 0.714 19628 4544 1 14 . 1 1 52 52 THR CA C 52 61.884 61.884 61.437 0.447 19628 4545 1 14 . 1 1 52 52 THR CB C 52 69.455 69.455 67.381 2.074 19628 4546 1 14 . 1 1 53 53 VAL N N 53 120.702 120.702 118.830 1.872 19628 4547 1 14 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.959 0.176 19628 4548 1 14 . 1 1 53 53 VAL C C 53 176.425 176.425 176.983 -0.558 19628 4549 1 14 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.157 -1.152 19628 4550 1 14 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.874 0.849 19628 4551 1 14 . 1 1 54 54 ASP N N 54 120.122 120.122 121.782 -1.660 19628 4552 1 14 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.380 0.226 19628 4553 1 14 . 1 1 54 54 ASP C C 54 176.471 176.471 176.061 0.410 19628 4554 1 14 . 1 1 54 54 ASP CA C 54 54.740 54.740 56.349 -1.609 19628 4555 1 14 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.825 0.333 19628 4556 1 14 . 1 1 55 55 ASN N N 55 117.542 117.542 117.374 0.168 19628 4557 1 14 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.738 0.029 19628 4558 1 14 . 1 1 55 55 ASN C C 55 175.457 175.457 175.553 -0.096 19628 4559 1 14 . 1 1 55 55 ASN CA C 55 53.082 53.082 52.631 0.451 19628 4560 1 14 . 1 1 55 55 ASN CB C 55 38.700 38.700 38.879 -0.179 19628 4561 1 14 . 1 1 56 56 ALA N N 56 122.962 122.962 130.592 -7.630 19628 4562 1 14 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.148 0.159 19628 4563 1 14 . 1 1 56 56 ALA C C 56 178.144 178.144 177.970 0.174 19628 4564 1 14 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.464 -1.275 19628 4565 1 14 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.041 0.229 19628 4566 1 14 . 1 1 57 57 HIS N N 57 114.258 114.258 115.045 -0.787 19628 4567 1 14 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.627 0.091 19628 4568 1 14 . 1 1 57 57 HIS C C 57 174.283 174.283 174.330 -0.047 19628 4569 1 14 . 1 1 57 57 HIS CA C 57 55.538 55.538 55.099 0.439 19628 4570 1 14 . 1 1 57 57 HIS CB C 57 29.348 29.348 29.856 -0.508 19628 4571 1 14 . 1 1 58 58 ALA N N 58 122.364 122.364 123.738 -1.374 19628 4572 1 14 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.445 -0.144 19628 4573 1 14 . 1 1 58 58 ALA C C 58 176.549 176.549 176.282 0.267 19628 4574 1 14 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.411 0.838 19628 4575 1 14 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.647 1.251 19628 4576 1 14 . 1 1 59 59 ARG N N 59 120.664 120.664 124.301 -3.637 19628 4577 1 14 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.519 0.058 19628 4578 1 14 . 1 1 59 59 ARG C C 59 174.047 174.047 174.398 -0.351 19628 4579 1 14 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.999 -0.040 19628 4580 1 14 . 1 1 59 59 ARG CB C 59 34.241 34.241 30.942 3.299 19628 4581 1 14 . 1 1 60 60 TYR N N 60 117.222 117.222 123.280 -6.058 19628 4582 1 14 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.374 1.029 19628 4583 1 14 . 1 1 60 60 TYR C C 60 176.206 176.206 175.067 1.139 19628 4584 1 14 . 1 1 60 60 TYR CA C 60 57.256 57.256 59.076 -1.820 19628 4585 1 14 . 1 1 60 60 TYR CB C 60 42.214 42.214 39.031 3.183 19628 4586 1 14 . 1 1 61 61 PHE N N 61 117.727 117.727 120.894 -3.167 19628 4587 1 14 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.111 0.183 19628 4588 1 14 . 1 1 61 61 PHE C C 61 174.358 174.358 174.783 -0.425 19628 4589 1 14 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.229 0.894 19628 4590 1 14 . 1 1 61 61 PHE CB C 61 45.819 45.819 43.275 2.544 19628 4591 1 14 . 1 1 62 62 ILE N N 62 118.711 118.711 119.509 -0.798 19628 4592 1 14 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.883 0.231 19628 4593 1 14 . 1 1 62 62 ILE C C 62 174.937 174.937 175.213 -0.276 19628 4594 1 14 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.272 0.353 19628 4595 1 14 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.233 -0.059 19628 4596 1 14 . 1 1 63 63 ILE N N 63 125.236 125.236 122.926 2.310 19628 4597 1 14 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.534 0.198 19628 4598 1 14 . 1 1 63 63 ILE C C 63 176.218 176.218 174.256 1.962 19628 4599 1 14 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.435 0.386 19628 4600 1 14 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.841 -0.300 19628 4601 1 14 . 1 1 64 64 HIS N N 64 127.707 127.707 120.635 7.072 19628 4602 1 14 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.369 0.184 19628 4603 1 14 . 1 1 64 64 HIS C C 64 174.365 174.365 174.403 -0.038 19628 4604 1 14 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.205 -1.666 19628 4605 1 14 . 1 1 64 64 HIS CB C 64 30.765 30.765 29.556 1.209 19628 4606 1 14 . 1 1 65 65 ALA N N 65 131.873 131.873 127.676 4.197 19628 4607 1 14 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.488 0.067 19628 4608 1 14 . 1 1 65 65 ALA C C 65 174.433 174.433 176.519 -2.086 19628 4609 1 14 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.167 -0.793 19628 4610 1 14 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.935 -1.168 19628 4611 1 14 . 1 1 66 66 HIS N N 66 120.753 120.753 118.269 2.484 19628 4612 1 14 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.470 -0.298 19628 4613 1 14 . 1 1 66 66 HIS C C 66 175.249 175.249 175.449 -0.200 19628 4614 1 14 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.451 -0.952 19628 4615 1 14 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.361 0.209 19628 4616 1 14 . 1 1 67 67 LYS N N 67 117.601 117.601 120.267 -2.666 19628 4617 1 14 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.435 -0.008 19628 4618 1 14 . 1 1 67 67 LYS C C 67 174.799 174.799 175.199 -0.400 19628 4619 1 14 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.427 -0.359 19628 4620 1 14 . 1 1 67 67 LYS CB C 67 34.784 34.784 33.587 1.197 19628 4621 1 14 . 1 1 68 68 LEU N N 68 127.238 127.238 124.934 2.304 19628 4622 1 14 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.457 -0.010 19628 4623 1 14 . 1 1 68 68 LEU C C 68 175.878 175.878 177.534 -1.656 19628 4624 1 14 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.955 0.508 19628 4625 1 14 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.348 -0.776 19628 4626 1 14 . 1 1 69 69 LEU N N 69 123.968 123.968 124.736 -0.768 19628 4627 1 14 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.323 0.192 19628 4628 1 14 . 1 1 69 69 LEU C C 69 176.630 176.630 176.402 0.228 19628 4629 1 14 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.490 0.714 19628 4630 1 14 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.541 0.691 19628 4631 1 14 . 1 1 70 70 ASP N N 70 122.630 122.630 126.789 -4.159 19628 4632 1 14 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.846 0.391 19628 4633 1 14 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.820 -1.831 19628 4634 1 14 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.191 0.311 19628 4635 1 14 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.669 -0.362 19628 4636 1 14 . 1 1 71 71 PRO C C 71 177.095 177.095 176.346 0.749 19628 4637 1 14 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.139 -0.587 19628 4638 1 14 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.345 -1.384 19628 4639 1 14 . 1 1 72 72 SER N N 72 114.226 114.226 114.627 -0.401 19628 4640 1 14 . 1 1 72 72 SER HA H 72 4.455 4.455 4.357 0.098 19628 4641 1 14 . 1 1 72 72 SER C C 72 175.162 175.162 175.212 -0.050 19628 4642 1 14 . 1 1 72 72 SER CA C 72 60.232 60.232 60.253 -0.021 19628 4643 1 14 . 1 1 72 72 SER CB C 72 63.899 63.899 63.776 0.123 19628 4644 1 14 . 1 1 73 73 GLU N N 73 121.971 121.971 117.246 4.725 19628 4645 1 14 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.540 -0.132 19628 4646 1 14 . 1 1 73 73 GLU C C 73 176.312 176.312 177.476 -1.164 19628 4647 1 14 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.289 0.324 19628 4648 1 14 . 1 1 73 73 GLU CB C 73 30.879 30.879 31.305 -0.426 19628 4649 1 15 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.387 0.149 19628 4650 1 15 . 1 1 2 2 PRO C C 2 176.988 176.988 175.836 1.152 19628 4651 1 15 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.850 0.482 19628 4652 1 15 . 1 1 2 2 PRO CB C 2 32.241 32.241 31.206 1.036 19628 4653 1 15 . 1 1 3 3 ASP N N 3 120.121 120.121 124.114 -3.993 19628 4654 1 15 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.695 -0.069 19628 4655 1 15 . 1 1 3 3 ASP C C 3 176.550 176.550 175.578 0.972 19628 4656 1 15 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.597 0.987 19628 4657 1 15 . 1 1 3 3 ASP CB C 3 41.274 41.274 41.859 -0.585 19628 4658 1 15 . 1 1 4 4 LYS N N 4 120.298 120.298 125.771 -5.473 19628 4659 1 15 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.499 -0.048 19628 4660 1 15 . 1 1 4 4 LYS C C 4 176.439 176.439 177.282 -0.843 19628 4661 1 15 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.970 -0.062 19628 4662 1 15 . 1 1 4 4 LYS CB C 4 33.819 33.819 33.156 0.663 19628 4663 1 15 . 1 1 5 5 GLN N N 5 122.085 122.085 122.523 -0.438 19628 4664 1 15 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.143 0.320 19628 4665 1 15 . 1 1 5 5 GLN C C 5 175.305 175.305 176.424 -1.119 19628 4666 1 15 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.087 0.230 19628 4667 1 15 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.695 1.773 19628 4668 1 15 . 1 1 6 6 LEU N N 6 127.607 127.607 123.020 4.587 19628 4669 1 15 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.361 0.412 19628 4670 1 15 . 1 1 6 6 LEU C C 6 176.477 176.477 176.452 0.025 19628 4671 1 15 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.880 -1.811 19628 4672 1 15 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.251 0.290 19628 4673 1 15 . 1 1 7 7 LEU N N 7 124.306 124.306 124.220 0.086 19628 4674 1 15 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.947 -0.360 19628 4675 1 15 . 1 1 7 7 LEU C C 7 176.499 176.499 174.941 1.558 19628 4676 1 15 . 1 1 7 7 LEU CA C 7 57.062 57.062 52.870 4.192 19628 4677 1 15 . 1 1 7 7 LEU CB C 7 42.566 42.566 44.163 -1.597 19628 4678 1 15 . 1 1 8 8 HIS N N 8 124.882 124.882 119.488 5.394 19628 4679 1 15 . 1 1 8 8 HIS HA H 8 5.791 5.791 4.963 0.828 19628 4680 1 15 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.593 -0.292 19628 4681 1 15 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.691 4.848 19628 4682 1 15 . 1 1 9 9 ILE N N 9 119.723 119.723 119.865 -0.142 19628 4683 1 15 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.279 1.280 19628 4684 1 15 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.531 -2.521 19628 4685 1 15 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.788 3.812 19628 4686 1 15 . 1 1 10 10 VAL N N 10 124.236 124.236 117.734 6.502 19628 4687 1 15 . 1 1 10 10 VAL HA H 10 5.581 5.581 5.039 0.542 19628 4688 1 15 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.709 0.585 19628 4689 1 15 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.626 1.532 19628 4690 1 15 . 1 1 11 11 VAL N N 11 119.677 119.677 119.472 0.205 19628 4691 1 15 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.847 0.896 19628 4692 1 15 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.548 -1.458 19628 4693 1 15 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.202 1.389 19628 4694 1 15 . 1 1 12 12 GLY N N 12 107.410 107.410 107.047 0.363 19628 4695 1 15 . 1 1 12 12 GLY CA C 12 46.567 46.567 45.225 1.342 19628 4696 1 15 . 1 1 13 13 GLY N N 13 103.550 103.550 107.113 -3.563 19628 4697 1 15 . 1 1 13 13 GLY C C 13 172.290 172.290 172.398 -0.108 19628 4698 1 15 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.350 0.671 19628 4699 1 15 . 1 1 14 14 GLU N N 14 118.735 118.735 121.448 -2.713 19628 4700 1 15 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.599 0.008 19628 4701 1 15 . 1 1 14 14 GLU C C 14 177.819 177.819 176.450 1.369 19628 4702 1 15 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.240 0.248 19628 4703 1 15 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.340 0.661 19628 4704 1 15 . 1 1 15 15 LEU N N 15 125.767 125.767 125.041 0.726 19628 4705 1 15 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.713 0.159 19628 4706 1 15 . 1 1 15 15 LEU C C 15 178.742 178.742 176.967 1.775 19628 4707 1 15 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.866 0.455 19628 4708 1 15 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.126 -0.145 19628 4709 1 15 . 1 1 16 16 LYS N N 16 120.328 120.328 117.636 2.692 19628 4710 1 15 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.013 0.144 19628 4711 1 15 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.176 -0.817 19628 4712 1 15 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.345 1.529 19628 4713 1 15 . 1 1 17 17 ASP N N 17 121.541 121.541 115.971 5.570 19628 4714 1 15 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.855 0.009 19628 4715 1 15 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.843 0.642 19628 4716 1 15 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.171 -2.263 19628 4717 1 15 . 1 1 18 18 VAL N N 18 117.413 117.413 116.431 0.982 19628 4718 1 15 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.922 0.411 19628 4719 1 15 . 1 1 18 18 VAL C C 18 175.600 175.600 177.130 -1.530 19628 4720 1 15 . 1 1 18 18 VAL CA C 18 61.089 61.089 65.037 -3.948 19628 4721 1 15 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.955 2.299 19628 4722 1 15 . 1 1 19 19 ALA N N 19 122.852 122.852 120.985 1.867 19628 4723 1 15 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.577 -0.184 19628 4724 1 15 . 1 1 19 19 ALA C C 19 178.737 178.737 178.301 0.436 19628 4725 1 15 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.566 0.375 19628 4726 1 15 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.520 -0.523 19628 4727 1 15 . 1 1 20 20 GLY N N 20 107.686 107.686 107.759 -0.073 19628 4728 1 15 . 1 1 20 20 GLY C C 20 173.316 173.316 174.478 -1.162 19628 4729 1 15 . 1 1 20 20 GLY CA C 20 44.611 44.611 45.233 -0.622 19628 4730 1 15 . 1 1 21 21 VAL N N 21 117.897 117.897 123.290 -5.393 19628 4731 1 15 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.969 -0.019 19628 4732 1 15 . 1 1 21 21 VAL C C 21 174.804 174.804 175.479 -0.675 19628 4733 1 15 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.225 -0.198 19628 4734 1 15 . 1 1 21 21 VAL CB C 21 32.034 32.034 32.356 -0.322 19628 4735 1 15 . 1 1 22 22 GLU N N 22 124.637 124.637 119.851 4.786 19628 4736 1 15 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.057 0.263 19628 4737 1 15 . 1 1 22 22 GLU CA C 22 54.905 54.905 55.086 -0.181 19628 4738 1 15 . 1 1 22 22 GLU CB C 22 32.883 32.883 30.368 2.515 19628 4739 1 15 . 1 1 23 23 PHE N N 23 124.102 124.102 122.804 1.298 19628 4740 1 15 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.493 0.202 19628 4741 1 15 . 1 1 23 23 PHE C C 23 177.013 177.013 176.761 0.252 19628 4742 1 15 . 1 1 23 23 PHE CA C 23 59.019 59.019 57.468 1.551 19628 4743 1 15 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.065 0.706 19628 4744 1 15 . 1 1 24 24 ARG N N 24 121.555 121.555 124.001 -2.446 19628 4745 1 15 . 1 1 24 24 ARG HA H 24 3.868 3.868 3.876 -0.008 19628 4746 1 15 . 1 1 24 24 ARG C C 24 176.567 176.567 175.974 0.593 19628 4747 1 15 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.816 0.486 19628 4748 1 15 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.546 0.309 19628 4749 1 15 . 1 1 25 25 ASP N N 25 116.629 116.629 114.543 2.086 19628 4750 1 15 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.748 0.043 19628 4751 1 15 . 1 1 25 25 ASP C C 25 177.266 177.266 175.494 1.772 19628 4752 1 15 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.713 -0.905 19628 4753 1 15 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.850 -0.888 19628 4754 1 15 . 1 1 26 26 LEU N N 26 125.814 125.814 123.919 1.895 19628 4755 1 15 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.310 -0.354 19628 4756 1 15 . 1 1 26 26 LEU C C 26 178.850 178.850 177.186 1.664 19628 4757 1 15 . 1 1 26 26 LEU CA C 26 57.354 57.354 55.931 1.423 19628 4758 1 15 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.166 -0.256 19628 4759 1 15 . 1 1 27 27 SER N N 27 113.793 113.793 113.933 -0.140 19628 4760 1 15 . 1 1 27 27 SER HA H 27 4.454 4.454 4.489 -0.035 19628 4761 1 15 . 1 1 27 27 SER C C 27 175.696 175.696 175.451 0.245 19628 4762 1 15 . 1 1 27 27 SER CA C 27 60.804 60.804 59.034 1.770 19628 4763 1 15 . 1 1 27 27 SER CB C 27 63.311 63.311 64.691 -1.380 19628 4764 1 15 . 1 1 28 28 LYS N N 28 120.122 120.122 120.567 -0.445 19628 4765 1 15 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.410 0.211 19628 4766 1 15 . 1 1 28 28 LYS C C 28 177.281 177.281 176.438 0.843 19628 4767 1 15 . 1 1 28 28 LYS CA C 28 54.663 54.663 54.978 -0.315 19628 4768 1 15 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.306 0.770 19628 4769 1 15 . 1 1 29 29 VAL N N 29 120.916 120.916 114.552 6.364 19628 4770 1 15 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.769 0.104 19628 4771 1 15 . 1 1 29 29 VAL CA C 29 63.625 63.625 61.373 2.252 19628 4772 1 15 . 1 1 29 29 VAL CB C 29 32.440 32.440 31.740 0.700 19628 4773 1 15 . 1 1 30 30 GLU N N 30 127.248 127.248 124.020 3.228 19628 4774 1 15 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.500 -0.106 19628 4775 1 15 . 1 1 30 30 GLU CA C 30 54.427 54.427 54.406 0.021 19628 4776 1 15 . 1 1 30 30 GLU CB C 30 32.178 32.178 31.931 0.247 19628 4777 1 15 . 1 1 31 31 PHE N N 31 126.351 126.351 124.126 2.225 19628 4778 1 15 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.507 -0.031 19628 4779 1 15 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.614 -2.181 19628 4780 1 15 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.365 -2.730 19628 4781 1 15 . 1 1 32 32 VAL N N 32 128.354 128.354 122.859 5.495 19628 4782 1 15 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.793 0.074 19628 4783 1 15 . 1 1 32 32 VAL CA C 32 64.020 64.020 64.000 0.020 19628 4784 1 15 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.225 -0.151 19628 4785 1 15 . 1 1 33 33 GLY N N 33 107.690 107.690 105.500 2.190 19628 4786 1 15 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.566 1.200 19628 4787 1 15 . 1 1 34 34 ALA N N 34 120.706 120.706 121.505 -0.799 19628 4788 1 15 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.827 0.327 19628 4789 1 15 . 1 1 34 34 ALA CA C 34 49.819 49.819 51.914 -2.095 19628 4790 1 15 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.209 0.653 19628 4791 1 15 . 1 1 35 35 TYR N N 35 115.457 115.457 118.607 -3.150 19628 4792 1 15 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.903 0.040 19628 4793 1 15 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.350 0.977 19628 4794 1 15 . 1 1 35 35 TYR CB C 35 42.558 42.558 41.084 1.474 19628 4795 1 15 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.562 0.098 19628 4796 1 15 . 1 1 36 36 PRO C C 36 174.733 174.733 175.886 -1.153 19628 4797 1 15 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.528 0.411 19628 4798 1 15 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.569 -0.202 19628 4799 1 15 . 1 1 37 37 SER N N 37 109.883 109.883 112.043 -2.160 19628 4800 1 15 . 1 1 37 37 SER HA H 37 4.819 4.819 4.635 0.184 19628 4801 1 15 . 1 1 37 37 SER C C 37 173.943 173.943 174.105 -0.162 19628 4802 1 15 . 1 1 37 37 SER CA C 37 56.502 56.502 56.704 -0.202 19628 4803 1 15 . 1 1 37 37 SER CB C 37 66.351 66.351 64.733 1.618 19628 4804 1 15 . 1 1 38 38 TYR N N 38 122.819 122.819 126.352 -3.533 19628 4805 1 15 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.380 -1.329 19628 4806 1 15 . 1 1 38 38 TYR C C 38 177.295 177.295 176.576 0.719 19628 4807 1 15 . 1 1 38 38 TYR CA C 38 62.073 62.073 60.530 1.543 19628 4808 1 15 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.613 -0.949 19628 4809 1 15 . 1 1 39 39 ASP N N 39 116.964 116.964 119.339 -2.375 19628 4810 1 15 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.224 -0.003 19628 4811 1 15 . 1 1 39 39 ASP C C 39 179.740 179.740 178.252 1.488 19628 4812 1 15 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.293 0.461 19628 4813 1 15 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.558 0.337 19628 4814 1 15 . 1 1 40 40 GLU N N 40 116.783 116.783 118.400 -1.617 19628 4815 1 15 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.959 0.010 19628 4816 1 15 . 1 1 40 40 GLU C C 40 178.947 178.947 178.333 0.614 19628 4817 1 15 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.945 0.267 19628 4818 1 15 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.967 1.315 19628 4819 1 15 . 1 1 41 41 ALA N N 41 122.522 122.522 121.862 0.660 19628 4820 1 15 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.001 -0.961 19628 4821 1 15 . 1 1 41 41 ALA C C 41 178.474 178.474 179.276 -0.802 19628 4822 1 15 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.883 -0.767 19628 4823 1 15 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.347 0.201 19628 4824 1 15 . 1 1 42 42 HIS N N 42 118.486 118.486 118.238 0.248 19628 4825 1 15 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.222 -0.372 19628 4826 1 15 . 1 1 42 42 HIS C C 42 177.400 177.400 177.412 -0.012 19628 4827 1 15 . 1 1 42 42 HIS CA C 42 60.187 60.187 59.056 1.131 19628 4828 1 15 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.865 0.134 19628 4829 1 15 . 1 1 43 43 LYS N N 43 118.483 118.483 119.345 -0.862 19628 4830 1 15 . 1 1 43 43 LYS HA H 43 3.855 3.855 3.991 -0.136 19628 4831 1 15 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.928 2.156 19628 4832 1 15 . 1 1 43 43 LYS CB C 43 32.696 32.696 31.992 0.704 19628 4833 1 15 . 1 1 44 44 ALA N N 44 121.891 121.891 121.895 -0.004 19628 4834 1 15 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.034 -0.067 19628 4835 1 15 . 1 1 44 44 ALA C C 44 180.412 180.412 178.828 1.584 19628 4836 1 15 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.551 0.154 19628 4837 1 15 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.939 1.120 19628 4838 1 15 . 1 1 45 45 TRP N N 45 119.065 119.065 120.501 -1.436 19628 4839 1 15 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.275 -0.841 19628 4840 1 15 . 1 1 45 45 TRP C C 45 176.748 176.748 177.252 -0.504 19628 4841 1 15 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.238 1.302 19628 4842 1 15 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.046 0.096 19628 4843 1 15 . 1 1 46 46 LYS N N 46 119.011 119.011 118.759 0.252 19628 4844 1 15 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.230 -0.287 19628 4845 1 15 . 1 1 46 46 LYS C C 46 178.523 178.523 178.207 0.316 19628 4846 1 15 . 1 1 46 46 LYS CA C 46 59.287 59.287 57.636 1.651 19628 4847 1 15 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.195 1.342 19628 4848 1 15 . 1 1 47 47 ALA N N 47 118.189 118.189 122.743 -4.554 19628 4849 1 15 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.951 0.009 19628 4850 1 15 . 1 1 47 47 ALA C C 47 180.604 180.604 179.782 0.822 19628 4851 1 15 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.104 -0.901 19628 4852 1 15 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.147 0.020 19628 4853 1 15 . 1 1 48 48 LYS N N 48 116.778 116.778 118.107 -1.329 19628 4854 1 15 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.918 -0.158 19628 4855 1 15 . 1 1 48 48 LYS C C 48 178.378 178.378 178.555 -0.177 19628 4856 1 15 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.997 -2.060 19628 4857 1 15 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.084 -1.675 19628 4858 1 15 . 1 1 49 49 ALA N N 49 121.343 121.343 122.135 -0.792 19628 4859 1 15 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.072 -0.312 19628 4860 1 15 . 1 1 49 49 ALA C C 49 180.075 180.075 180.306 -0.231 19628 4861 1 15 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.770 -0.693 19628 4862 1 15 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.236 -0.614 19628 4863 1 15 . 1 1 50 50 GLN N N 50 114.507 114.507 117.143 -2.636 19628 4864 1 15 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.027 0.092 19628 4865 1 15 . 1 1 50 50 GLN C C 50 176.838 176.838 177.265 -0.427 19628 4866 1 15 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.660 -1.017 19628 4867 1 15 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.752 0.058 19628 4868 1 15 . 1 1 51 51 ALA N N 51 121.078 121.078 120.437 0.641 19628 4869 1 15 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.231 0.147 19628 4870 1 15 . 1 1 51 51 ALA C C 51 178.394 178.394 178.285 0.109 19628 4871 1 15 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.517 -0.694 19628 4872 1 15 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.820 0.535 19628 4873 1 15 . 1 1 52 52 THR N N 52 111.735 111.735 111.820 -0.085 19628 4874 1 15 . 1 1 52 52 THR HA H 52 4.443 4.443 4.605 -0.162 19628 4875 1 15 . 1 1 52 52 THR C C 52 175.345 175.345 173.894 1.451 19628 4876 1 15 . 1 1 52 52 THR CA C 52 61.884 61.884 60.073 1.811 19628 4877 1 15 . 1 1 52 52 THR CB C 52 69.455 69.455 67.901 1.554 19628 4878 1 15 . 1 1 53 53 VAL N N 53 120.702 120.702 122.112 -1.410 19628 4879 1 15 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.846 0.289 19628 4880 1 15 . 1 1 53 53 VAL C C 53 176.425 176.425 176.620 -0.195 19628 4881 1 15 . 1 1 53 53 VAL CA C 53 63.005 63.005 63.972 -0.967 19628 4882 1 15 . 1 1 53 53 VAL CB C 53 32.723 32.723 32.021 0.702 19628 4883 1 15 . 1 1 54 54 ASP N N 54 120.122 120.122 119.579 0.543 19628 4884 1 15 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.437 0.169 19628 4885 1 15 . 1 1 54 54 ASP C C 54 176.471 176.471 176.082 0.389 19628 4886 1 15 . 1 1 54 54 ASP CA C 54 54.740 54.740 56.066 -1.326 19628 4887 1 15 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.693 0.465 19628 4888 1 15 . 1 1 55 55 ASN N N 55 117.542 117.542 117.086 0.456 19628 4889 1 15 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.676 0.091 19628 4890 1 15 . 1 1 55 55 ASN C C 55 175.457 175.457 175.880 -0.423 19628 4891 1 15 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.725 -0.643 19628 4892 1 15 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.277 -0.577 19628 4893 1 15 . 1 1 56 56 ALA N N 56 122.962 122.962 126.209 -3.247 19628 4894 1 15 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.020 0.287 19628 4895 1 15 . 1 1 56 56 ALA C C 56 178.144 178.144 177.644 0.500 19628 4896 1 15 . 1 1 56 56 ALA CA C 56 53.189 53.189 53.856 -0.667 19628 4897 1 15 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.195 0.076 19628 4898 1 15 . 1 1 57 57 HIS N N 57 114.258 114.258 114.292 -0.034 19628 4899 1 15 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.733 -0.015 19628 4900 1 15 . 1 1 57 57 HIS C C 57 174.283 174.283 174.023 0.260 19628 4901 1 15 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.550 0.988 19628 4902 1 15 . 1 1 57 57 HIS CB C 57 29.348 29.348 31.110 -1.762 19628 4903 1 15 . 1 1 58 58 ALA N N 58 122.364 122.364 124.497 -2.133 19628 4904 1 15 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.571 -0.270 19628 4905 1 15 . 1 1 58 58 ALA C C 58 176.549 176.549 177.199 -0.650 19628 4906 1 15 . 1 1 58 58 ALA CA C 58 52.249 52.249 52.161 0.088 19628 4907 1 15 . 1 1 58 58 ALA CB C 58 19.898 19.898 19.303 0.595 19628 4908 1 15 . 1 1 59 59 ARG N N 59 120.664 120.664 124.574 -3.910 19628 4909 1 15 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.538 0.039 19628 4910 1 15 . 1 1 59 59 ARG C C 59 174.047 174.047 173.999 0.048 19628 4911 1 15 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.972 -0.013 19628 4912 1 15 . 1 1 59 59 ARG CB C 59 34.241 34.241 32.976 1.265 19628 4913 1 15 . 1 1 60 60 TYR N N 60 117.222 117.222 121.582 -4.360 19628 4914 1 15 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.578 0.825 19628 4915 1 15 . 1 1 60 60 TYR C C 60 176.206 176.206 174.566 1.640 19628 4916 1 15 . 1 1 60 60 TYR CA C 60 57.256 57.256 57.589 -0.333 19628 4917 1 15 . 1 1 60 60 TYR CB C 60 42.214 42.214 40.267 1.947 19628 4918 1 15 . 1 1 61 61 PHE N N 61 117.727 117.727 120.656 -2.929 19628 4919 1 15 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.167 0.127 19628 4920 1 15 . 1 1 61 61 PHE C C 61 174.358 174.358 174.782 -0.424 19628 4921 1 15 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.166 0.957 19628 4922 1 15 . 1 1 61 61 PHE CB C 61 45.819 45.819 43.029 2.790 19628 4923 1 15 . 1 1 62 62 ILE N N 62 118.711 118.711 119.437 -0.726 19628 4924 1 15 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.960 0.154 19628 4925 1 15 . 1 1 62 62 ILE C C 62 174.937 174.937 175.347 -0.410 19628 4926 1 15 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.240 0.385 19628 4927 1 15 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.080 0.094 19628 4928 1 15 . 1 1 63 63 ILE N N 63 125.236 125.236 121.812 3.424 19628 4929 1 15 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.440 0.292 19628 4930 1 15 . 1 1 63 63 ILE C C 63 176.218 176.218 174.452 1.766 19628 4931 1 15 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.407 0.413 19628 4932 1 15 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.779 -0.237 19628 4933 1 15 . 1 1 64 64 HIS N N 64 127.707 127.707 119.749 7.958 19628 4934 1 15 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.186 0.367 19628 4935 1 15 . 1 1 64 64 HIS C C 64 174.365 174.365 174.451 -0.086 19628 4936 1 15 . 1 1 64 64 HIS CA C 64 53.539 53.539 54.148 -0.609 19628 4937 1 15 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.203 2.562 19628 4938 1 15 . 1 1 65 65 ALA N N 65 131.873 131.873 128.334 3.539 19628 4939 1 15 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.560 -0.005 19628 4940 1 15 . 1 1 65 65 ALA C C 65 174.433 174.433 175.349 -0.916 19628 4941 1 15 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.431 -1.057 19628 4942 1 15 . 1 1 65 65 ALA CB C 65 18.767 18.767 18.566 0.201 19628 4943 1 15 . 1 1 66 66 HIS N N 66 120.753 120.753 121.276 -0.523 19628 4944 1 15 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.616 -0.445 19628 4945 1 15 . 1 1 66 66 HIS C C 66 175.249 175.249 175.046 0.203 19628 4946 1 15 . 1 1 66 66 HIS CA C 66 57.499 57.499 57.397 0.102 19628 4947 1 15 . 1 1 66 66 HIS CB C 66 30.570 30.570 31.741 -1.171 19628 4948 1 15 . 1 1 67 67 LYS N N 67 117.601 117.601 123.464 -5.863 19628 4949 1 15 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.469 -0.042 19628 4950 1 15 . 1 1 67 67 LYS C C 67 174.799 174.799 176.002 -1.203 19628 4951 1 15 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.058 0.010 19628 4952 1 15 . 1 1 67 67 LYS CB C 67 34.784 34.784 31.364 3.420 19628 4953 1 15 . 1 1 68 68 LEU N N 68 127.238 127.238 125.094 2.144 19628 4954 1 15 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.399 0.048 19628 4955 1 15 . 1 1 68 68 LEU C C 68 175.878 175.878 177.296 -1.418 19628 4956 1 15 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.935 0.528 19628 4957 1 15 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.425 -0.853 19628 4958 1 15 . 1 1 69 69 LEU N N 69 123.968 123.968 124.471 -0.503 19628 4959 1 15 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.274 0.241 19628 4960 1 15 . 1 1 69 69 LEU C C 69 176.630 176.630 176.332 0.298 19628 4961 1 15 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.658 0.546 19628 4962 1 15 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.477 0.755 19628 4963 1 15 . 1 1 70 70 ASP N N 70 122.630 122.630 126.005 -3.375 19628 4964 1 15 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.978 0.259 19628 4965 1 15 . 1 1 70 70 ASP CA C 70 49.989 49.989 50.964 -0.975 19628 4966 1 15 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.505 -0.003 19628 4967 1 15 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.482 -0.175 19628 4968 1 15 . 1 1 71 71 PRO C C 71 177.095 177.095 176.860 0.235 19628 4969 1 15 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.734 -1.183 19628 4970 1 15 . 1 1 71 71 PRO CB C 71 30.961 30.961 31.886 -0.925 19628 4971 1 15 . 1 1 72 72 SER N N 72 114.226 114.226 114.700 -0.474 19628 4972 1 15 . 1 1 72 72 SER HA H 72 4.455 4.455 4.266 0.189 19628 4973 1 15 . 1 1 72 72 SER C C 72 175.162 175.162 175.555 -0.393 19628 4974 1 15 . 1 1 72 72 SER CA C 72 60.232 60.232 60.761 -0.529 19628 4975 1 15 . 1 1 72 72 SER CB C 72 63.899 63.899 63.802 0.097 19628 4976 1 15 . 1 1 73 73 GLU N N 73 121.971 121.971 119.222 2.749 19628 4977 1 15 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.517 -0.109 19628 4978 1 15 . 1 1 73 73 GLU C C 73 176.312 176.312 177.301 -0.989 19628 4979 1 15 . 1 1 73 73 GLU CA C 73 56.613 56.613 55.598 1.015 19628 4980 1 15 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.522 0.357 19628 4981 1 16 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.535 0.001 19628 4982 1 16 . 1 1 2 2 PRO C C 2 176.988 176.988 175.806 1.182 19628 4983 1 16 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.973 0.359 19628 4984 1 16 . 1 1 2 2 PRO CB C 2 32.241 32.241 31.434 0.807 19628 4985 1 16 . 1 1 3 3 ASP N N 3 120.121 120.121 121.578 -1.457 19628 4986 1 16 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.513 0.113 19628 4987 1 16 . 1 1 3 3 ASP C C 3 176.550 176.550 175.715 0.835 19628 4988 1 16 . 1 1 3 3 ASP CA C 3 54.584 54.584 55.086 -0.502 19628 4989 1 16 . 1 1 3 3 ASP CB C 3 41.274 41.274 41.170 0.104 19628 4990 1 16 . 1 1 4 4 LYS N N 4 120.298 120.298 125.326 -5.028 19628 4991 1 16 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.692 -0.241 19628 4992 1 16 . 1 1 4 4 LYS C C 4 176.439 176.439 177.252 -0.813 19628 4993 1 16 . 1 1 4 4 LYS CA C 4 55.908 55.908 54.838 1.070 19628 4994 1 16 . 1 1 4 4 LYS CB C 4 33.819 33.819 35.214 -1.395 19628 4995 1 16 . 1 1 5 5 GLN N N 5 122.085 122.085 121.094 0.991 19628 4996 1 16 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.093 0.370 19628 4997 1 16 . 1 1 5 5 GLN C C 5 175.305 175.305 176.550 -1.245 19628 4998 1 16 . 1 1 5 5 GLN CA C 5 56.317 56.317 57.380 -1.063 19628 4999 1 16 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.849 1.619 19628 5000 1 16 . 1 1 6 6 LEU N N 6 127.607 127.607 122.671 4.936 19628 5001 1 16 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.443 0.330 19628 5002 1 16 . 1 1 6 6 LEU C C 6 176.477 176.477 175.331 1.146 19628 5003 1 16 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.232 -1.163 19628 5004 1 16 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.057 0.483 19628 5005 1 16 . 1 1 7 7 LEU N N 7 124.306 124.306 124.328 -0.022 19628 5006 1 16 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.908 -0.321 19628 5007 1 16 . 1 1 7 7 LEU C C 7 176.499 176.499 175.154 1.345 19628 5008 1 16 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.050 4.012 19628 5009 1 16 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.400 -0.834 19628 5010 1 16 . 1 1 8 8 HIS N N 8 124.882 124.882 119.699 5.183 19628 5011 1 16 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.140 0.651 19628 5012 1 16 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.166 0.135 19628 5013 1 16 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.897 4.642 19628 5014 1 16 . 1 1 9 9 ILE N N 9 119.723 119.723 120.293 -0.570 19628 5015 1 16 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.277 1.282 19628 5016 1 16 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.689 -2.679 19628 5017 1 16 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.955 3.645 19628 5018 1 16 . 1 1 10 10 VAL N N 10 124.236 124.236 115.105 9.131 19628 5019 1 16 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.900 0.681 19628 5020 1 16 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.359 0.935 19628 5021 1 16 . 1 1 10 10 VAL CB C 10 34.158 34.158 33.778 0.380 19628 5022 1 16 . 1 1 11 11 VAL N N 11 119.677 119.677 124.171 -4.494 19628 5023 1 16 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.963 0.780 19628 5024 1 16 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.941 -1.851 19628 5025 1 16 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.127 1.464 19628 5026 1 16 . 1 1 12 12 GLY N N 12 107.410 107.410 112.562 -5.152 19628 5027 1 16 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.751 1.816 19628 5028 1 16 . 1 1 13 13 GLY N N 13 103.550 103.550 107.926 -4.376 19628 5029 1 16 . 1 1 13 13 GLY C C 13 172.290 172.290 172.321 -0.031 19628 5030 1 16 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.358 0.663 19628 5031 1 16 . 1 1 14 14 GLU N N 14 118.735 118.735 120.723 -1.988 19628 5032 1 16 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.904 -0.297 19628 5033 1 16 . 1 1 14 14 GLU C C 14 177.819 177.819 176.211 1.608 19628 5034 1 16 . 1 1 14 14 GLU CA C 14 56.488 56.488 55.584 0.904 19628 5035 1 16 . 1 1 14 14 GLU CB C 14 31.001 31.001 31.433 -0.432 19628 5036 1 16 . 1 1 15 15 LEU N N 15 125.767 125.767 123.649 2.118 19628 5037 1 16 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.940 -0.068 19628 5038 1 16 . 1 1 15 15 LEU C C 15 178.742 178.742 177.299 1.443 19628 5039 1 16 . 1 1 15 15 LEU CA C 15 54.321 54.321 52.545 1.776 19628 5040 1 16 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.555 -0.574 19628 5041 1 16 . 1 1 16 16 LYS N N 16 120.328 120.328 120.017 0.311 19628 5042 1 16 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.144 0.013 19628 5043 1 16 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.923 -1.564 19628 5044 1 16 . 1 1 16 16 LYS CB C 16 34.874 34.874 32.922 1.952 19628 5045 1 16 . 1 1 17 17 ASP N N 17 121.541 121.541 117.442 4.099 19628 5046 1 16 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.522 0.342 19628 5047 1 16 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.396 1.088 19628 5048 1 16 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.290 -2.382 19628 5049 1 16 . 1 1 18 18 VAL N N 18 117.413 117.413 116.385 1.028 19628 5050 1 16 . 1 1 18 18 VAL HA H 18 4.333 4.333 4.106 0.227 19628 5051 1 16 . 1 1 18 18 VAL C C 18 175.600 175.600 176.706 -1.106 19628 5052 1 16 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.183 -3.094 19628 5053 1 16 . 1 1 18 18 VAL CB C 18 34.254 34.254 32.037 2.217 19628 5054 1 16 . 1 1 19 19 ALA N N 19 122.852 122.852 121.214 1.638 19628 5055 1 16 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.634 -0.241 19628 5056 1 16 . 1 1 19 19 ALA C C 19 178.737 178.737 178.146 0.591 19628 5057 1 16 . 1 1 19 19 ALA CA C 19 52.941 52.941 51.879 1.062 19628 5058 1 16 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.688 -0.691 19628 5059 1 16 . 1 1 20 20 GLY N N 20 107.686 107.686 107.871 -0.185 19628 5060 1 16 . 1 1 20 20 GLY C C 20 173.316 173.316 173.994 -0.678 19628 5061 1 16 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.669 -0.058 19628 5062 1 16 . 1 1 21 21 VAL N N 21 117.897 117.897 120.234 -2.337 19628 5063 1 16 . 1 1 21 21 VAL HA H 21 3.950 3.950 4.057 -0.107 19628 5064 1 16 . 1 1 21 21 VAL C C 21 174.804 174.804 174.963 -0.159 19628 5065 1 16 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.295 0.732 19628 5066 1 16 . 1 1 21 21 VAL CB C 21 32.034 32.034 31.875 0.159 19628 5067 1 16 . 1 1 22 22 GLU N N 22 124.637 124.637 121.597 3.040 19628 5068 1 16 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.243 0.077 19628 5069 1 16 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.767 0.138 19628 5070 1 16 . 1 1 22 22 GLU CB C 22 32.883 32.883 27.904 4.979 19628 5071 1 16 . 1 1 23 23 PHE N N 23 124.102 124.102 124.778 -0.676 19628 5072 1 16 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.374 0.321 19628 5073 1 16 . 1 1 23 23 PHE C C 23 177.013 177.013 176.909 0.104 19628 5074 1 16 . 1 1 23 23 PHE CA C 23 59.019 59.019 59.253 -0.234 19628 5075 1 16 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.224 0.547 19628 5076 1 16 . 1 1 24 24 ARG N N 24 121.555 121.555 124.405 -2.850 19628 5077 1 16 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.090 -0.222 19628 5078 1 16 . 1 1 24 24 ARG C C 24 176.567 176.567 176.430 0.137 19628 5079 1 16 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.222 1.080 19628 5080 1 16 . 1 1 24 24 ARG CB C 24 30.855 30.855 31.148 -0.292 19628 5081 1 16 . 1 1 25 25 ASP N N 25 116.629 116.629 115.512 1.117 19628 5082 1 16 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.767 0.024 19628 5083 1 16 . 1 1 25 25 ASP C C 25 177.266 177.266 175.178 2.088 19628 5084 1 16 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.481 -0.673 19628 5085 1 16 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.931 -0.968 19628 5086 1 16 . 1 1 26 26 LEU N N 26 125.814 125.814 122.940 2.874 19628 5087 1 16 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.366 -0.410 19628 5088 1 16 . 1 1 26 26 LEU C C 26 178.850 178.850 177.688 1.162 19628 5089 1 16 . 1 1 26 26 LEU CA C 26 57.354 57.354 55.481 1.873 19628 5090 1 16 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.213 -0.303 19628 5091 1 16 . 1 1 27 27 SER N N 27 113.793 113.793 114.489 -0.696 19628 5092 1 16 . 1 1 27 27 SER HA H 27 4.454 4.454 4.366 0.088 19628 5093 1 16 . 1 1 27 27 SER C C 27 175.696 175.696 175.422 0.274 19628 5094 1 16 . 1 1 27 27 SER CA C 27 60.804 60.804 59.797 1.006 19628 5095 1 16 . 1 1 27 27 SER CB C 27 63.311 63.311 63.368 -0.057 19628 5096 1 16 . 1 1 28 28 LYS N N 28 120.122 120.122 119.396 0.726 19628 5097 1 16 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.477 0.144 19628 5098 1 16 . 1 1 28 28 LYS C C 28 177.281 177.281 176.056 1.225 19628 5099 1 16 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.433 -0.770 19628 5100 1 16 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.359 0.717 19628 5101 1 16 . 1 1 29 29 VAL N N 29 120.916 120.916 116.626 4.290 19628 5102 1 16 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.954 -0.081 19628 5103 1 16 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.605 3.019 19628 5104 1 16 . 1 1 29 29 VAL CB C 29 32.440 32.440 30.488 1.952 19628 5105 1 16 . 1 1 30 30 GLU N N 30 127.248 127.248 127.970 -0.722 19628 5106 1 16 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.375 0.019 19628 5107 1 16 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.195 -0.768 19628 5108 1 16 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.372 1.806 19628 5109 1 16 . 1 1 31 31 PHE N N 31 126.351 126.351 126.893 -0.542 19628 5110 1 16 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.486 -0.010 19628 5111 1 16 . 1 1 31 31 PHE CA C 31 56.433 56.433 59.086 -2.653 19628 5112 1 16 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.272 -2.637 19628 5113 1 16 . 1 1 32 32 VAL N N 32 128.354 128.354 123.097 5.257 19628 5114 1 16 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.826 0.041 19628 5115 1 16 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.878 0.142 19628 5116 1 16 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.374 -0.300 19628 5117 1 16 . 1 1 33 33 GLY N N 33 107.690 107.690 105.380 2.310 19628 5118 1 16 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.596 1.170 19628 5119 1 16 . 1 1 34 34 ALA N N 34 120.706 120.706 121.427 -0.721 19628 5120 1 16 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.758 0.396 19628 5121 1 16 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.197 -2.378 19628 5122 1 16 . 1 1 34 34 ALA CB C 34 21.862 21.862 20.887 0.975 19628 5123 1 16 . 1 1 35 35 TYR N N 35 115.457 115.457 120.574 -5.117 19628 5124 1 16 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.869 0.074 19628 5125 1 16 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.216 1.111 19628 5126 1 16 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.246 2.312 19628 5127 1 16 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.479 0.181 19628 5128 1 16 . 1 1 36 36 PRO C C 36 174.733 174.733 176.009 -1.276 19628 5129 1 16 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.724 0.215 19628 5130 1 16 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.633 -0.266 19628 5131 1 16 . 1 1 37 37 SER N N 37 109.883 109.883 112.502 -2.619 19628 5132 1 16 . 1 1 37 37 SER HA H 37 4.819 4.819 4.671 0.148 19628 5133 1 16 . 1 1 37 37 SER C C 37 173.943 173.943 174.303 -0.360 19628 5134 1 16 . 1 1 37 37 SER CA C 37 56.502 56.502 56.054 0.448 19628 5135 1 16 . 1 1 37 37 SER CB C 37 66.351 66.351 64.759 1.592 19628 5136 1 16 . 1 1 38 38 TYR N N 38 122.819 122.819 127.039 -4.220 19628 5137 1 16 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.283 -1.232 19628 5138 1 16 . 1 1 38 38 TYR C C 38 177.295 177.295 176.603 0.692 19628 5139 1 16 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.236 0.838 19628 5140 1 16 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.715 -1.051 19628 5141 1 16 . 1 1 39 39 ASP N N 39 116.964 116.964 117.492 -0.528 19628 5142 1 16 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.248 -0.027 19628 5143 1 16 . 1 1 39 39 ASP C C 39 179.740 179.740 178.128 1.612 19628 5144 1 16 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.014 0.740 19628 5145 1 16 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.722 0.173 19628 5146 1 16 . 1 1 40 40 GLU N N 40 116.783 116.783 118.976 -2.193 19628 5147 1 16 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.939 0.030 19628 5148 1 16 . 1 1 40 40 GLU C C 40 178.947 178.947 178.403 0.544 19628 5149 1 16 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.949 0.263 19628 5150 1 16 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.963 1.319 19628 5151 1 16 . 1 1 41 41 ALA N N 41 122.522 122.522 121.059 1.463 19628 5152 1 16 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.140 -1.100 19628 5153 1 16 . 1 1 41 41 ALA C C 41 178.474 178.474 179.209 -0.735 19628 5154 1 16 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.517 -0.402 19628 5155 1 16 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.378 0.170 19628 5156 1 16 . 1 1 42 42 HIS N N 42 118.486 118.486 118.882 -0.396 19628 5157 1 16 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.090 -0.240 19628 5158 1 16 . 1 1 42 42 HIS C C 42 177.400 177.400 177.078 0.322 19628 5159 1 16 . 1 1 42 42 HIS CA C 42 60.187 60.187 59.319 0.869 19628 5160 1 16 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.838 0.161 19628 5161 1 16 . 1 1 43 43 LYS N N 43 118.483 118.483 119.093 -0.610 19628 5162 1 16 . 1 1 43 43 LYS HA H 43 3.855 3.855 3.882 -0.027 19628 5163 1 16 . 1 1 43 43 LYS CA C 43 60.084 60.084 58.115 1.969 19628 5164 1 16 . 1 1 43 43 LYS CB C 43 32.696 32.696 31.987 0.709 19628 5165 1 16 . 1 1 44 44 ALA N N 44 121.891 121.891 120.990 0.901 19628 5166 1 16 . 1 1 44 44 ALA HA H 44 3.967 3.967 3.988 -0.021 19628 5167 1 16 . 1 1 44 44 ALA C C 44 180.412 180.412 178.821 1.591 19628 5168 1 16 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.914 -0.209 19628 5169 1 16 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.998 1.061 19628 5170 1 16 . 1 1 45 45 TRP N N 45 119.065 119.065 119.788 -0.723 19628 5171 1 16 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.270 -0.836 19628 5172 1 16 . 1 1 45 45 TRP C C 45 176.748 176.748 177.598 -0.850 19628 5173 1 16 . 1 1 45 45 TRP CA C 45 62.540 62.540 60.976 1.564 19628 5174 1 16 . 1 1 45 45 TRP CB C 45 29.142 29.142 28.991 0.152 19628 5175 1 16 . 1 1 46 46 LYS N N 46 119.011 119.011 118.937 0.074 19628 5176 1 16 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.154 -0.211 19628 5177 1 16 . 1 1 46 46 LYS C C 46 178.523 178.523 178.183 0.340 19628 5178 1 16 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.088 1.199 19628 5179 1 16 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.188 1.349 19628 5180 1 16 . 1 1 47 47 ALA N N 47 118.189 118.189 122.054 -3.865 19628 5181 1 16 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.987 -0.027 19628 5182 1 16 . 1 1 47 47 ALA C C 47 180.604 180.604 179.853 0.751 19628 5183 1 16 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.054 -0.851 19628 5184 1 16 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.181 -0.014 19628 5185 1 16 . 1 1 48 48 LYS N N 48 116.778 116.778 117.754 -0.976 19628 5186 1 16 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.985 -0.225 19628 5187 1 16 . 1 1 48 48 LYS C C 48 178.378 178.378 178.416 -0.038 19628 5188 1 16 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.934 -1.998 19628 5189 1 16 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.069 -1.660 19628 5190 1 16 . 1 1 49 49 ALA N N 49 121.343 121.343 122.004 -0.661 19628 5191 1 16 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.137 -0.377 19628 5192 1 16 . 1 1 49 49 ALA C C 49 180.075 180.075 178.595 1.480 19628 5193 1 16 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.495 -0.418 19628 5194 1 16 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.221 -0.599 19628 5195 1 16 . 1 1 50 50 GLN N N 50 114.507 114.507 115.721 -1.214 19628 5196 1 16 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.153 -0.034 19628 5197 1 16 . 1 1 50 50 GLN C C 50 176.838 176.838 178.126 -1.288 19628 5198 1 16 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.496 -0.853 19628 5199 1 16 . 1 1 50 50 GLN CB C 50 28.810 28.810 29.029 -0.219 19628 5200 1 16 . 1 1 51 51 ALA N N 51 121.078 121.078 122.339 -1.261 19628 5201 1 16 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.266 0.112 19628 5202 1 16 . 1 1 51 51 ALA C C 51 178.394 178.394 178.815 -0.421 19628 5203 1 16 . 1 1 51 51 ALA CA C 51 52.823 52.823 54.346 -1.523 19628 5204 1 16 . 1 1 51 51 ALA CB C 51 19.355 19.355 19.004 0.351 19628 5205 1 16 . 1 1 52 52 THR N N 52 111.735 111.735 111.281 0.454 19628 5206 1 16 . 1 1 52 52 THR HA H 52 4.443 4.443 4.364 0.079 19628 5207 1 16 . 1 1 52 52 THR C C 52 175.345 175.345 175.771 -0.426 19628 5208 1 16 . 1 1 52 52 THR CA C 52 61.884 61.884 61.200 0.684 19628 5209 1 16 . 1 1 52 52 THR CB C 52 69.455 69.455 67.938 1.517 19628 5210 1 16 . 1 1 53 53 VAL N N 53 120.702 120.702 118.573 2.129 19628 5211 1 16 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.918 0.217 19628 5212 1 16 . 1 1 53 53 VAL C C 53 176.425 176.425 176.354 0.071 19628 5213 1 16 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.329 -1.324 19628 5214 1 16 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.250 1.473 19628 5215 1 16 . 1 1 54 54 ASP N N 54 120.122 120.122 119.187 0.935 19628 5216 1 16 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.595 0.011 19628 5217 1 16 . 1 1 54 54 ASP C C 54 176.471 176.471 176.007 0.464 19628 5218 1 16 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.412 -0.672 19628 5219 1 16 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.907 0.251 19628 5220 1 16 . 1 1 55 55 ASN N N 55 117.542 117.542 118.461 -0.919 19628 5221 1 16 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.653 0.114 19628 5222 1 16 . 1 1 55 55 ASN C C 55 175.457 175.457 174.731 0.726 19628 5223 1 16 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.101 -0.019 19628 5224 1 16 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.667 -0.967 19628 5225 1 16 . 1 1 56 56 ALA N N 56 122.962 122.962 126.014 -3.052 19628 5226 1 16 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.183 0.124 19628 5227 1 16 . 1 1 56 56 ALA C C 56 178.144 178.144 176.607 1.537 19628 5228 1 16 . 1 1 56 56 ALA CA C 56 53.189 53.189 52.157 1.032 19628 5229 1 16 . 1 1 56 56 ALA CB C 56 19.270 19.270 18.897 0.373 19628 5230 1 16 . 1 1 57 57 HIS N N 57 114.258 114.258 116.249 -1.991 19628 5231 1 16 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.053 0.665 19628 5232 1 16 . 1 1 57 57 HIS C C 57 174.283 174.283 174.285 -0.002 19628 5233 1 16 . 1 1 57 57 HIS CA C 57 55.538 55.538 56.350 -0.812 19628 5234 1 16 . 1 1 57 57 HIS CB C 57 29.348 29.348 27.887 1.461 19628 5235 1 16 . 1 1 58 58 ALA N N 58 122.364 122.364 122.153 0.211 19628 5236 1 16 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.678 -0.377 19628 5237 1 16 . 1 1 58 58 ALA C C 58 176.549 176.549 176.951 -0.402 19628 5238 1 16 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.518 0.731 19628 5239 1 16 . 1 1 58 58 ALA CB C 58 19.898 19.898 19.257 0.641 19628 5240 1 16 . 1 1 59 59 ARG N N 59 120.664 120.664 124.118 -3.454 19628 5241 1 16 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.558 0.019 19628 5242 1 16 . 1 1 59 59 ARG C C 59 174.047 174.047 174.243 -0.196 19628 5243 1 16 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.479 0.480 19628 5244 1 16 . 1 1 59 59 ARG CB C 59 34.241 34.241 32.037 2.204 19628 5245 1 16 . 1 1 60 60 TYR N N 60 117.222 117.222 122.241 -5.019 19628 5246 1 16 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.428 0.975 19628 5247 1 16 . 1 1 60 60 TYR C C 60 176.206 176.206 174.630 1.576 19628 5248 1 16 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.182 -0.926 19628 5249 1 16 . 1 1 60 60 TYR CB C 60 42.214 42.214 40.073 2.141 19628 5250 1 16 . 1 1 61 61 PHE N N 61 117.727 117.727 120.770 -3.043 19628 5251 1 16 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.136 0.158 19628 5252 1 16 . 1 1 61 61 PHE C C 61 174.358 174.358 175.092 -0.734 19628 5253 1 16 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.163 0.960 19628 5254 1 16 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.808 3.011 19628 5255 1 16 . 1 1 62 62 ILE N N 62 118.711 118.711 119.372 -0.661 19628 5256 1 16 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.869 0.245 19628 5257 1 16 . 1 1 62 62 ILE C C 62 174.937 174.937 175.166 -0.229 19628 5258 1 16 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.320 0.305 19628 5259 1 16 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.233 -0.059 19628 5260 1 16 . 1 1 63 63 ILE N N 63 125.236 125.236 122.559 2.677 19628 5261 1 16 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.474 0.258 19628 5262 1 16 . 1 1 63 63 ILE C C 63 176.218 176.218 174.163 2.055 19628 5263 1 16 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.293 0.528 19628 5264 1 16 . 1 1 63 63 ILE CB C 63 42.541 42.541 43.100 -0.559 19628 5265 1 16 . 1 1 64 64 HIS N N 64 127.707 127.707 119.407 8.300 19628 5266 1 16 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.434 0.119 19628 5267 1 16 . 1 1 64 64 HIS C C 64 174.365 174.365 174.602 -0.237 19628 5268 1 16 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.281 -1.742 19628 5269 1 16 . 1 1 64 64 HIS CB C 64 30.765 30.765 29.393 1.372 19628 5270 1 16 . 1 1 65 65 ALA N N 65 131.873 131.873 126.700 5.173 19628 5271 1 16 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.362 0.193 19628 5272 1 16 . 1 1 65 65 ALA C C 65 174.433 174.433 176.799 -2.366 19628 5273 1 16 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.913 -1.539 19628 5274 1 16 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.904 -1.137 19628 5275 1 16 . 1 1 66 66 HIS N N 66 120.753 120.753 120.091 0.662 19628 5276 1 16 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.433 -0.262 19628 5277 1 16 . 1 1 66 66 HIS C C 66 175.249 175.249 174.653 0.596 19628 5278 1 16 . 1 1 66 66 HIS CA C 66 57.499 57.499 57.239 0.260 19628 5279 1 16 . 1 1 66 66 HIS CB C 66 30.570 30.570 29.728 0.842 19628 5280 1 16 . 1 1 67 67 LYS N N 67 117.601 117.601 124.461 -6.860 19628 5281 1 16 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.005 0.422 19628 5282 1 16 . 1 1 67 67 LYS C C 67 174.799 174.799 174.341 0.458 19628 5283 1 16 . 1 1 67 67 LYS CA C 67 55.068 55.068 56.847 -1.779 19628 5284 1 16 . 1 1 67 67 LYS CB C 67 34.784 34.784 31.804 2.980 19628 5285 1 16 . 1 1 68 68 LEU N N 68 127.238 127.238 123.284 3.954 19628 5286 1 16 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.436 0.011 19628 5287 1 16 . 1 1 68 68 LEU C C 68 175.878 175.878 177.717 -1.839 19628 5288 1 16 . 1 1 68 68 LEU CA C 68 54.463 54.463 54.476 -0.013 19628 5289 1 16 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.455 -0.883 19628 5290 1 16 . 1 1 69 69 LEU N N 69 123.968 123.968 124.079 -0.111 19628 5291 1 16 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.317 0.198 19628 5292 1 16 . 1 1 69 69 LEU C C 69 176.630 176.630 176.483 0.147 19628 5293 1 16 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.639 0.565 19628 5294 1 16 . 1 1 69 69 LEU CB C 69 42.232 42.232 40.815 1.417 19628 5295 1 16 . 1 1 70 70 ASP N N 70 122.630 122.630 124.616 -1.986 19628 5296 1 16 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.856 0.381 19628 5297 1 16 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.508 -1.519 19628 5298 1 16 . 1 1 70 70 ASP CB C 70 42.502 42.502 41.536 0.966 19628 5299 1 16 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.746 -0.439 19628 5300 1 16 . 1 1 71 71 PRO C C 71 177.095 177.095 176.767 0.328 19628 5301 1 16 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.777 -1.225 19628 5302 1 16 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.011 -1.050 19628 5303 1 16 . 1 1 72 72 SER N N 72 114.226 114.226 114.104 0.122 19628 5304 1 16 . 1 1 72 72 SER HA H 72 4.455 4.455 4.281 0.174 19628 5305 1 16 . 1 1 72 72 SER C C 72 175.162 175.162 175.918 -0.756 19628 5306 1 16 . 1 1 72 72 SER CA C 72 60.232 60.232 60.145 0.087 19628 5307 1 16 . 1 1 72 72 SER CB C 72 63.899 63.899 63.405 0.494 19628 5308 1 16 . 1 1 73 73 GLU N N 73 121.971 121.971 120.286 1.685 19628 5309 1 16 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.487 -0.079 19628 5310 1 16 . 1 1 73 73 GLU C C 73 176.312 176.312 177.799 -1.487 19628 5311 1 16 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.248 0.365 19628 5312 1 16 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.054 0.825 19628 5313 1 17 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.608 -0.072 19628 5314 1 17 . 1 1 2 2 PRO C C 2 176.988 176.988 175.737 1.251 19628 5315 1 17 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.887 0.445 19628 5316 1 17 . 1 1 2 2 PRO CB C 2 32.241 32.241 30.951 1.290 19628 5317 1 17 . 1 1 3 3 ASP N N 3 120.121 120.121 120.212 -0.091 19628 5318 1 17 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.457 0.169 19628 5319 1 17 . 1 1 3 3 ASP C C 3 176.550 176.550 175.990 0.560 19628 5320 1 17 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.916 0.668 19628 5321 1 17 . 1 1 3 3 ASP CB C 3 41.274 41.274 40.455 0.820 19628 5322 1 17 . 1 1 4 4 LYS N N 4 120.298 120.298 126.221 -5.923 19628 5323 1 17 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.299 0.152 19628 5324 1 17 . 1 1 4 4 LYS C C 4 176.439 176.439 176.597 -0.158 19628 5325 1 17 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.789 0.119 19628 5326 1 17 . 1 1 4 4 LYS CB C 4 33.819 33.819 31.547 2.272 19628 5327 1 17 . 1 1 5 5 GLN N N 5 122.085 122.085 120.725 1.360 19628 5328 1 17 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.496 -0.033 19628 5329 1 17 . 1 1 5 5 GLN C C 5 175.305 175.305 176.399 -1.094 19628 5330 1 17 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.234 0.083 19628 5331 1 17 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.734 1.734 19628 5332 1 17 . 1 1 6 6 LEU N N 6 127.607 127.607 122.446 5.161 19628 5333 1 17 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.202 0.571 19628 5334 1 17 . 1 1 6 6 LEU C C 6 176.477 176.477 175.829 0.648 19628 5335 1 17 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.370 -1.301 19628 5336 1 17 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.173 0.367 19628 5337 1 17 . 1 1 7 7 LEU N N 7 124.306 124.306 121.459 2.847 19628 5338 1 17 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.891 -0.304 19628 5339 1 17 . 1 1 7 7 LEU C C 7 176.499 176.499 174.539 1.960 19628 5340 1 17 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.136 3.926 19628 5341 1 17 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.130 -0.564 19628 5342 1 17 . 1 1 8 8 HIS N N 8 124.882 124.882 119.411 5.471 19628 5343 1 17 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.038 0.753 19628 5344 1 17 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.001 0.300 19628 5345 1 17 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.055 4.484 19628 5346 1 17 . 1 1 9 9 ILE N N 9 119.723 119.723 119.521 0.202 19628 5347 1 17 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.296 1.263 19628 5348 1 17 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.658 -2.648 19628 5349 1 17 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.744 3.856 19628 5350 1 17 . 1 1 10 10 VAL N N 10 124.236 124.236 117.408 6.828 19628 5351 1 17 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.752 0.829 19628 5352 1 17 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.715 0.579 19628 5353 1 17 . 1 1 10 10 VAL CB C 10 34.158 34.158 33.459 0.699 19628 5354 1 17 . 1 1 11 11 VAL N N 11 119.677 119.677 124.340 -4.663 19628 5355 1 17 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.760 0.983 19628 5356 1 17 . 1 1 11 11 VAL CA C 11 58.090 58.090 60.279 -2.188 19628 5357 1 17 . 1 1 11 11 VAL CB C 11 36.591 36.591 36.175 0.416 19628 5358 1 17 . 1 1 12 12 GLY N N 12 107.410 107.410 111.916 -4.506 19628 5359 1 17 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.705 1.863 19628 5360 1 17 . 1 1 13 13 GLY N N 13 103.550 103.550 106.207 -2.657 19628 5361 1 17 . 1 1 13 13 GLY C C 13 172.290 172.290 172.505 -0.215 19628 5362 1 17 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.393 0.628 19628 5363 1 17 . 1 1 14 14 GLU N N 14 118.735 118.735 120.472 -1.737 19628 5364 1 17 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.552 0.055 19628 5365 1 17 . 1 1 14 14 GLU C C 14 177.819 177.819 176.414 1.405 19628 5366 1 17 . 1 1 14 14 GLU CA C 14 56.488 56.488 55.874 0.614 19628 5367 1 17 . 1 1 14 14 GLU CB C 14 31.001 31.001 31.067 -0.066 19628 5368 1 17 . 1 1 15 15 LEU N N 15 125.767 125.767 123.582 2.185 19628 5369 1 17 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.823 0.049 19628 5370 1 17 . 1 1 15 15 LEU C C 15 178.742 178.742 178.151 0.591 19628 5371 1 17 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.051 1.270 19628 5372 1 17 . 1 1 15 15 LEU CB C 15 42.981 42.981 42.822 0.160 19628 5373 1 17 . 1 1 16 16 LYS N N 16 120.328 120.328 120.741 -0.413 19628 5374 1 17 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.088 0.069 19628 5375 1 17 . 1 1 16 16 LYS CA C 16 57.359 57.359 59.157 -1.798 19628 5376 1 17 . 1 1 16 16 LYS CB C 16 34.874 34.874 32.981 1.893 19628 5377 1 17 . 1 1 17 17 ASP N N 17 121.541 121.541 117.597 3.944 19628 5378 1 17 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.832 0.032 19628 5379 1 17 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.824 0.660 19628 5380 1 17 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.244 -2.336 19628 5381 1 17 . 1 1 18 18 VAL N N 18 117.413 117.413 116.328 1.085 19628 5382 1 17 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.627 0.706 19628 5383 1 17 . 1 1 18 18 VAL C C 18 175.600 175.600 176.279 -0.679 19628 5384 1 17 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.397 -3.308 19628 5385 1 17 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.863 2.391 19628 5386 1 17 . 1 1 19 19 ALA N N 19 122.852 122.852 120.430 2.422 19628 5387 1 17 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.581 -0.188 19628 5388 1 17 . 1 1 19 19 ALA C C 19 178.737 178.737 178.074 0.663 19628 5389 1 17 . 1 1 19 19 ALA CA C 19 52.941 52.941 51.657 1.284 19628 5390 1 17 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.127 -0.130 19628 5391 1 17 . 1 1 20 20 GLY N N 20 107.686 107.686 107.713 -0.027 19628 5392 1 17 . 1 1 20 20 GLY C C 20 173.316 173.316 173.718 -0.402 19628 5393 1 17 . 1 1 20 20 GLY CA C 20 44.611 44.611 45.278 -0.667 19628 5394 1 17 . 1 1 21 21 VAL N N 21 117.897 117.897 117.776 0.121 19628 5395 1 17 . 1 1 21 21 VAL HA H 21 3.950 3.950 4.185 -0.235 19628 5396 1 17 . 1 1 21 21 VAL C C 21 174.804 174.804 174.580 0.224 19628 5397 1 17 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.850 0.177 19628 5398 1 17 . 1 1 21 21 VAL CB C 21 32.034 32.034 32.516 -0.482 19628 5399 1 17 . 1 1 22 22 GLU N N 22 124.637 124.637 120.988 3.649 19628 5400 1 17 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.337 -0.017 19628 5401 1 17 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.352 0.553 19628 5402 1 17 . 1 1 22 22 GLU CB C 22 32.883 32.883 29.036 3.847 19628 5403 1 17 . 1 1 23 23 PHE N N 23 124.102 124.102 125.497 -1.395 19628 5404 1 17 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.434 0.261 19628 5405 1 17 . 1 1 23 23 PHE C C 23 177.013 177.013 176.748 0.265 19628 5406 1 17 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.994 0.025 19628 5407 1 17 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.873 -0.102 19628 5408 1 17 . 1 1 24 24 ARG N N 24 121.555 121.555 124.488 -2.933 19628 5409 1 17 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.055 -0.187 19628 5410 1 17 . 1 1 24 24 ARG C C 24 176.567 176.567 176.081 0.486 19628 5411 1 17 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.554 0.748 19628 5412 1 17 . 1 1 24 24 ARG CB C 24 30.855 30.855 31.154 -0.299 19628 5413 1 17 . 1 1 25 25 ASP N N 25 116.629 116.629 116.247 0.382 19628 5414 1 17 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.756 0.035 19628 5415 1 17 . 1 1 25 25 ASP C C 25 177.266 177.266 176.642 0.624 19628 5416 1 17 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.090 -0.282 19628 5417 1 17 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.840 -0.878 19628 5418 1 17 . 1 1 26 26 LEU N N 26 125.814 125.814 124.922 0.892 19628 5419 1 17 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.319 -0.363 19628 5420 1 17 . 1 1 26 26 LEU C C 26 178.850 178.850 177.126 1.724 19628 5421 1 17 . 1 1 26 26 LEU CA C 26 57.354 57.354 55.466 1.888 19628 5422 1 17 . 1 1 26 26 LEU CB C 26 40.910 40.910 40.400 0.510 19628 5423 1 17 . 1 1 27 27 SER N N 27 113.793 113.793 114.584 -0.791 19628 5424 1 17 . 1 1 27 27 SER HA H 27 4.454 4.454 4.372 0.082 19628 5425 1 17 . 1 1 27 27 SER C C 27 175.696 175.696 175.327 0.369 19628 5426 1 17 . 1 1 27 27 SER CA C 27 60.804 60.804 60.517 0.288 19628 5427 1 17 . 1 1 27 27 SER CB C 27 63.311 63.311 63.859 -0.548 19628 5428 1 17 . 1 1 28 28 LYS N N 28 120.122 120.122 119.136 0.986 19628 5429 1 17 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.489 0.132 19628 5430 1 17 . 1 1 28 28 LYS C C 28 177.281 177.281 176.188 1.093 19628 5431 1 17 . 1 1 28 28 LYS CA C 28 54.663 54.663 54.871 -0.208 19628 5432 1 17 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.853 0.223 19628 5433 1 17 . 1 1 29 29 VAL N N 29 120.916 120.916 117.103 3.813 19628 5434 1 17 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.960 -0.087 19628 5435 1 17 . 1 1 29 29 VAL CA C 29 63.625 63.625 61.129 2.496 19628 5436 1 17 . 1 1 29 29 VAL CB C 29 32.440 32.440 31.129 1.311 19628 5437 1 17 . 1 1 30 30 GLU N N 30 127.248 127.248 127.419 -0.171 19628 5438 1 17 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.498 -0.104 19628 5439 1 17 . 1 1 30 30 GLU CA C 30 54.427 54.427 54.486 -0.059 19628 5440 1 17 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.721 1.456 19628 5441 1 17 . 1 1 31 31 PHE N N 31 126.351 126.351 126.582 -0.231 19628 5442 1 17 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.454 0.022 19628 5443 1 17 . 1 1 31 31 PHE CA C 31 56.433 56.433 59.233 -2.800 19628 5444 1 17 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.144 -2.509 19628 5445 1 17 . 1 1 32 32 VAL N N 32 128.354 128.354 123.532 4.822 19628 5446 1 17 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.846 0.021 19628 5447 1 17 . 1 1 32 32 VAL CA C 32 64.020 64.020 64.194 -0.174 19628 5448 1 17 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.377 -0.303 19628 5449 1 17 . 1 1 33 33 GLY N N 33 107.690 107.690 105.140 2.550 19628 5450 1 17 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.697 1.069 19628 5451 1 17 . 1 1 34 34 ALA N N 34 120.706 120.706 121.888 -1.182 19628 5452 1 17 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.867 0.287 19628 5453 1 17 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.342 -2.523 19628 5454 1 17 . 1 1 34 34 ALA CB C 34 21.862 21.862 20.961 0.901 19628 5455 1 17 . 1 1 35 35 TYR N N 35 115.457 115.457 121.625 -6.168 19628 5456 1 17 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.842 0.101 19628 5457 1 17 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.040 1.287 19628 5458 1 17 . 1 1 35 35 TYR CB C 35 42.558 42.558 39.672 2.886 19628 5459 1 17 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.492 0.168 19628 5460 1 17 . 1 1 36 36 PRO C C 36 174.733 174.733 176.005 -1.272 19628 5461 1 17 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.625 0.314 19628 5462 1 17 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.325 0.042 19628 5463 1 17 . 1 1 37 37 SER N N 37 109.883 109.883 111.767 -1.884 19628 5464 1 17 . 1 1 37 37 SER HA H 37 4.819 4.819 4.637 0.182 19628 5465 1 17 . 1 1 37 37 SER C C 37 173.943 173.943 174.004 -0.061 19628 5466 1 17 . 1 1 37 37 SER CA C 37 56.502 56.502 56.680 -0.178 19628 5467 1 17 . 1 1 37 37 SER CB C 37 66.351 66.351 64.867 1.484 19628 5468 1 17 . 1 1 38 38 TYR N N 38 122.819 122.819 125.735 -2.916 19628 5469 1 17 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.256 -1.205 19628 5470 1 17 . 1 1 38 38 TYR C C 38 177.295 177.295 176.625 0.670 19628 5471 1 17 . 1 1 38 38 TYR CA C 38 62.073 62.073 60.605 1.468 19628 5472 1 17 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.520 -0.856 19628 5473 1 17 . 1 1 39 39 ASP N N 39 116.964 116.964 117.993 -1.029 19628 5474 1 17 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.150 0.071 19628 5475 1 17 . 1 1 39 39 ASP C C 39 179.740 179.740 178.115 1.625 19628 5476 1 17 . 1 1 39 39 ASP CA C 39 57.754 57.754 56.603 1.151 19628 5477 1 17 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.305 0.590 19628 5478 1 17 . 1 1 40 40 GLU N N 40 116.783 116.783 118.064 -1.281 19628 5479 1 17 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.970 -0.001 19628 5480 1 17 . 1 1 40 40 GLU C C 40 178.947 178.947 178.005 0.942 19628 5481 1 17 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.886 0.326 19628 5482 1 17 . 1 1 40 40 GLU CB C 40 30.282 30.282 29.014 1.268 19628 5483 1 17 . 1 1 41 41 ALA N N 41 122.522 122.522 121.524 0.998 19628 5484 1 17 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.893 -0.853 19628 5485 1 17 . 1 1 41 41 ALA C C 41 178.474 178.474 179.131 -0.657 19628 5486 1 17 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.435 -0.320 19628 5487 1 17 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.490 0.058 19628 5488 1 17 . 1 1 42 42 HIS N N 42 118.486 118.486 117.299 1.187 19628 5489 1 17 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.265 -0.415 19628 5490 1 17 . 1 1 42 42 HIS C C 42 177.400 177.400 177.226 0.174 19628 5491 1 17 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.360 1.827 19628 5492 1 17 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.680 0.320 19628 5493 1 17 . 1 1 43 43 LYS N N 43 118.483 118.483 118.965 -0.482 19628 5494 1 17 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.168 -0.313 19628 5495 1 17 . 1 1 43 43 LYS CA C 43 60.084 60.084 58.250 1.834 19628 5496 1 17 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.086 0.610 19628 5497 1 17 . 1 1 44 44 ALA N N 44 121.891 121.891 122.138 -0.247 19628 5498 1 17 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.099 -0.132 19628 5499 1 17 . 1 1 44 44 ALA C C 44 180.412 180.412 179.195 1.217 19628 5500 1 17 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.548 0.157 19628 5501 1 17 . 1 1 44 44 ALA CB C 44 19.059 19.059 18.031 1.028 19628 5502 1 17 . 1 1 45 45 TRP N N 45 119.065 119.065 120.252 -1.187 19628 5503 1 17 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.271 -0.837 19628 5504 1 17 . 1 1 45 45 TRP C C 45 176.748 176.748 177.384 -0.636 19628 5505 1 17 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.074 1.466 19628 5506 1 17 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.054 0.088 19628 5507 1 17 . 1 1 46 46 LYS N N 46 119.011 119.011 119.019 -0.008 19628 5508 1 17 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.110 -0.167 19628 5509 1 17 . 1 1 46 46 LYS C C 46 178.523 178.523 178.232 0.291 19628 5510 1 17 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.199 1.088 19628 5511 1 17 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.345 1.192 19628 5512 1 17 . 1 1 47 47 ALA N N 47 118.189 118.189 121.901 -3.712 19628 5513 1 17 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.974 -0.014 19628 5514 1 17 . 1 1 47 47 ALA C C 47 180.604 180.604 179.981 0.623 19628 5515 1 17 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.085 -0.882 19628 5516 1 17 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.170 -0.003 19628 5517 1 17 . 1 1 48 48 LYS N N 48 116.778 116.778 118.005 -1.227 19628 5518 1 17 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.963 -0.203 19628 5519 1 17 . 1 1 48 48 LYS C C 48 178.378 178.378 178.428 -0.050 19628 5520 1 17 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.823 -1.886 19628 5521 1 17 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.055 -1.646 19628 5522 1 17 . 1 1 49 49 ALA N N 49 121.343 121.343 122.526 -1.183 19628 5523 1 17 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.044 -0.284 19628 5524 1 17 . 1 1 49 49 ALA C C 49 180.075 180.075 180.149 -0.074 19628 5525 1 17 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.624 -0.547 19628 5526 1 17 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.181 -0.559 19628 5527 1 17 . 1 1 50 50 GLN N N 50 114.507 114.507 117.721 -3.214 19628 5528 1 17 . 1 1 50 50 GLN HA H 50 4.119 4.119 3.978 0.141 19628 5529 1 17 . 1 1 50 50 GLN C C 50 176.838 176.838 177.642 -0.804 19628 5530 1 17 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.908 -1.265 19628 5531 1 17 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.775 0.035 19628 5532 1 17 . 1 1 51 51 ALA N N 51 121.078 121.078 121.589 -0.511 19628 5533 1 17 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.195 0.183 19628 5534 1 17 . 1 1 51 51 ALA C C 51 178.394 178.394 178.044 0.350 19628 5535 1 17 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.615 -0.792 19628 5536 1 17 . 1 1 51 51 ALA CB C 51 19.355 19.355 19.326 0.029 19628 5537 1 17 . 1 1 52 52 THR N N 52 111.735 111.735 110.912 0.823 19628 5538 1 17 . 1 1 52 52 THR HA H 52 4.443 4.443 4.393 0.050 19628 5539 1 17 . 1 1 52 52 THR C C 52 175.345 175.345 174.392 0.953 19628 5540 1 17 . 1 1 52 52 THR CA C 52 61.884 61.884 61.582 0.302 19628 5541 1 17 . 1 1 52 52 THR CB C 52 69.455 69.455 68.108 1.347 19628 5542 1 17 . 1 1 53 53 VAL N N 53 120.702 120.702 123.476 -2.774 19628 5543 1 17 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.975 0.160 19628 5544 1 17 . 1 1 53 53 VAL C C 53 176.425 176.425 176.919 -0.494 19628 5545 1 17 . 1 1 53 53 VAL CA C 53 63.005 63.005 63.689 -0.684 19628 5546 1 17 . 1 1 53 53 VAL CB C 53 32.723 32.723 32.644 0.079 19628 5547 1 17 . 1 1 54 54 ASP N N 54 120.122 120.122 120.797 -0.675 19628 5548 1 17 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.395 0.211 19628 5549 1 17 . 1 1 54 54 ASP C C 54 176.471 176.471 176.537 -0.066 19628 5550 1 17 . 1 1 54 54 ASP CA C 54 54.740 54.740 56.244 -1.504 19628 5551 1 17 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.895 0.263 19628 5552 1 17 . 1 1 55 55 ASN N N 55 117.542 117.542 117.545 -0.003 19628 5553 1 17 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.773 -0.006 19628 5554 1 17 . 1 1 55 55 ASN C C 55 175.457 175.457 175.372 0.085 19628 5555 1 17 . 1 1 55 55 ASN CA C 55 53.082 53.082 52.189 0.893 19628 5556 1 17 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.342 -0.642 19628 5557 1 17 . 1 1 56 56 ALA N N 56 122.962 122.962 128.930 -5.968 19628 5558 1 17 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.157 0.150 19628 5559 1 17 . 1 1 56 56 ALA C C 56 178.144 178.144 178.637 -0.493 19628 5560 1 17 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.511 -1.322 19628 5561 1 17 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.347 -0.077 19628 5562 1 17 . 1 1 57 57 HIS N N 57 114.258 114.258 114.930 -0.672 19628 5563 1 17 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.626 0.092 19628 5564 1 17 . 1 1 57 57 HIS C C 57 174.283 174.283 174.047 0.236 19628 5565 1 17 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.223 1.315 19628 5566 1 17 . 1 1 57 57 HIS CB C 57 29.348 29.348 29.776 -0.428 19628 5567 1 17 . 1 1 58 58 ALA N N 58 122.364 122.364 123.850 -1.486 19628 5568 1 17 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.500 -0.199 19628 5569 1 17 . 1 1 58 58 ALA C C 58 176.549 176.549 176.338 0.211 19628 5570 1 17 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.741 0.508 19628 5571 1 17 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.977 0.921 19628 5572 1 17 . 1 1 59 59 ARG N N 59 120.664 120.664 123.419 -2.755 19628 5573 1 17 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.639 -0.062 19628 5574 1 17 . 1 1 59 59 ARG C C 59 174.047 174.047 174.277 -0.230 19628 5575 1 17 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.353 0.606 19628 5576 1 17 . 1 1 59 59 ARG CB C 59 34.241 34.241 32.270 1.971 19628 5577 1 17 . 1 1 60 60 TYR N N 60 117.222 117.222 122.333 -5.111 19628 5578 1 17 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.490 0.913 19628 5579 1 17 . 1 1 60 60 TYR C C 60 176.206 176.206 174.603 1.603 19628 5580 1 17 . 1 1 60 60 TYR CA C 60 57.256 57.256 57.928 -0.673 19628 5581 1 17 . 1 1 60 60 TYR CB C 60 42.214 42.214 39.195 3.019 19628 5582 1 17 . 1 1 61 61 PHE N N 61 117.727 117.727 121.688 -3.961 19628 5583 1 17 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.123 0.171 19628 5584 1 17 . 1 1 61 61 PHE C C 61 174.358 174.358 174.601 -0.243 19628 5585 1 17 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.910 0.213 19628 5586 1 17 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.218 3.601 19628 5587 1 17 . 1 1 62 62 ILE N N 62 118.711 118.711 118.481 0.230 19628 5588 1 17 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.627 0.487 19628 5589 1 17 . 1 1 62 62 ILE C C 62 174.937 174.937 174.972 -0.035 19628 5590 1 17 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.196 0.429 19628 5591 1 17 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.806 -0.631 19628 5592 1 17 . 1 1 63 63 ILE N N 63 125.236 125.236 121.100 4.136 19628 5593 1 17 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.364 0.368 19628 5594 1 17 . 1 1 63 63 ILE C C 63 176.218 176.218 174.443 1.775 19628 5595 1 17 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.422 0.399 19628 5596 1 17 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.712 -0.171 19628 5597 1 17 . 1 1 64 64 HIS N N 64 127.707 127.707 120.409 7.298 19628 5598 1 17 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.032 0.521 19628 5599 1 17 . 1 1 64 64 HIS C C 64 174.365 174.365 174.170 0.195 19628 5600 1 17 . 1 1 64 64 HIS CA C 64 53.539 53.539 54.173 -0.634 19628 5601 1 17 . 1 1 64 64 HIS CB C 64 30.765 30.765 27.833 2.932 19628 5602 1 17 . 1 1 65 65 ALA N N 65 131.873 131.873 127.897 3.976 19628 5603 1 17 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.522 0.033 19628 5604 1 17 . 1 1 65 65 ALA C C 65 174.433 174.433 175.594 -1.161 19628 5605 1 17 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.590 -1.216 19628 5606 1 17 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.829 -1.062 19628 5607 1 17 . 1 1 66 66 HIS N N 66 120.753 120.753 122.118 -1.365 19628 5608 1 17 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.561 -0.390 19628 5609 1 17 . 1 1 66 66 HIS C C 66 175.249 175.249 174.771 0.478 19628 5610 1 17 . 1 1 66 66 HIS CA C 66 57.499 57.499 57.090 0.409 19628 5611 1 17 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.888 -0.318 19628 5612 1 17 . 1 1 67 67 LYS N N 67 117.601 117.601 123.946 -6.345 19628 5613 1 17 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.471 -0.044 19628 5614 1 17 . 1 1 67 67 LYS C C 67 174.799 174.799 176.285 -1.486 19628 5615 1 17 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.857 -0.789 19628 5616 1 17 . 1 1 67 67 LYS CB C 67 34.784 34.784 31.738 3.046 19628 5617 1 17 . 1 1 68 68 LEU N N 68 127.238 127.238 126.456 0.782 19628 5618 1 17 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.471 -0.024 19628 5619 1 17 . 1 1 68 68 LEU C C 68 175.878 175.878 176.914 -1.036 19628 5620 1 17 . 1 1 68 68 LEU CA C 68 54.463 54.463 54.099 0.364 19628 5621 1 17 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.966 -1.394 19628 5622 1 17 . 1 1 69 69 LEU N N 69 123.968 123.968 126.353 -2.385 19628 5623 1 17 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.250 0.265 19628 5624 1 17 . 1 1 69 69 LEU C C 69 176.630 176.630 176.437 0.193 19628 5625 1 17 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.713 0.491 19628 5626 1 17 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.288 0.944 19628 5627 1 17 . 1 1 70 70 ASP N N 70 122.630 122.630 126.302 -3.672 19628 5628 1 17 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.953 0.284 19628 5629 1 17 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.031 -1.042 19628 5630 1 17 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.270 0.232 19628 5631 1 17 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.486 -0.179 19628 5632 1 17 . 1 1 71 71 PRO C C 71 177.095 177.095 177.671 -0.576 19628 5633 1 17 . 1 1 71 71 PRO CA C 71 62.552 62.552 64.361 -1.809 19628 5634 1 17 . 1 1 71 71 PRO CB C 71 30.961 30.961 31.949 -0.988 19628 5635 1 17 . 1 1 72 72 SER N N 72 114.226 114.226 113.676 0.550 19628 5636 1 17 . 1 1 72 72 SER HA H 72 4.455 4.455 4.258 0.197 19628 5637 1 17 . 1 1 72 72 SER C C 72 175.162 175.162 175.881 -0.719 19628 5638 1 17 . 1 1 72 72 SER CA C 72 60.232 60.232 60.625 -0.393 19628 5639 1 17 . 1 1 72 72 SER CB C 72 63.899 63.899 63.760 0.139 19628 5640 1 17 . 1 1 73 73 GLU N N 73 121.971 121.971 119.910 2.061 19628 5641 1 17 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.361 0.047 19628 5642 1 17 . 1 1 73 73 GLU C C 73 176.312 176.312 177.305 -0.993 19628 5643 1 17 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.640 -0.027 19628 5644 1 17 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.762 0.117 19628 5645 1 18 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.547 -0.011 19628 5646 1 18 . 1 1 2 2 PRO C C 2 176.988 176.988 176.206 0.782 19628 5647 1 18 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.860 0.472 19628 5648 1 18 . 1 1 2 2 PRO CB C 2 32.241 32.241 31.699 0.542 19628 5649 1 18 . 1 1 3 3 ASP N N 3 120.121 120.121 122.071 -1.950 19628 5650 1 18 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.763 -0.137 19628 5651 1 18 . 1 1 3 3 ASP C C 3 176.550 176.550 175.353 1.197 19628 5652 1 18 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.701 0.883 19628 5653 1 18 . 1 1 3 3 ASP CB C 3 41.274 41.274 42.287 -1.013 19628 5654 1 18 . 1 1 4 4 LYS N N 4 120.298 120.298 121.570 -1.272 19628 5655 1 18 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.715 -0.264 19628 5656 1 18 . 1 1 4 4 LYS C C 4 176.439 176.439 176.927 -0.488 19628 5657 1 18 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.523 0.385 19628 5658 1 18 . 1 1 4 4 LYS CB C 4 33.819 33.819 32.797 1.022 19628 5659 1 18 . 1 1 5 5 GLN N N 5 122.085 122.085 120.598 1.487 19628 5660 1 18 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.175 0.288 19628 5661 1 18 . 1 1 5 5 GLN C C 5 175.305 175.305 176.274 -0.969 19628 5662 1 18 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.170 0.147 19628 5663 1 18 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.851 1.617 19628 5664 1 18 . 1 1 6 6 LEU N N 6 127.607 127.607 120.323 7.284 19628 5665 1 18 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.198 0.575 19628 5666 1 18 . 1 1 6 6 LEU C C 6 176.477 176.477 175.834 0.643 19628 5667 1 18 . 1 1 6 6 LEU CA C 6 54.069 54.069 54.956 -0.887 19628 5668 1 18 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.769 -0.229 19628 5669 1 18 . 1 1 7 7 LEU N N 7 124.306 124.306 122.023 2.283 19628 5670 1 18 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.877 -0.290 19628 5671 1 18 . 1 1 7 7 LEU C C 7 176.499 176.499 175.585 0.914 19628 5672 1 18 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.532 3.530 19628 5673 1 18 . 1 1 7 7 LEU CB C 7 42.566 42.566 42.812 -0.246 19628 5674 1 18 . 1 1 8 8 HIS N N 8 124.882 124.882 119.839 5.043 19628 5675 1 18 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.078 0.713 19628 5676 1 18 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.048 0.253 19628 5677 1 18 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.009 4.530 19628 5678 1 18 . 1 1 9 9 ILE N N 9 119.723 119.723 120.009 -0.286 19628 5679 1 18 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.281 1.278 19628 5680 1 18 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.682 -2.672 19628 5681 1 18 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.823 3.777 19628 5682 1 18 . 1 1 10 10 VAL N N 10 124.236 124.236 117.638 6.598 19628 5683 1 18 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.779 0.802 19628 5684 1 18 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.056 1.238 19628 5685 1 18 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.824 1.334 19628 5686 1 18 . 1 1 11 11 VAL N N 11 119.677 119.677 125.602 -5.925 19628 5687 1 18 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.777 0.966 19628 5688 1 18 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.987 -1.897 19628 5689 1 18 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.395 1.196 19628 5690 1 18 . 1 1 12 12 GLY N N 12 107.410 107.410 113.546 -6.136 19628 5691 1 18 . 1 1 12 12 GLY CA C 12 46.567 46.567 43.996 2.571 19628 5692 1 18 . 1 1 13 13 GLY N N 13 103.550 103.550 104.948 -1.398 19628 5693 1 18 . 1 1 13 13 GLY C C 13 172.290 172.290 172.606 -0.316 19628 5694 1 18 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.892 0.129 19628 5695 1 18 . 1 1 14 14 GLU N N 14 118.735 118.735 120.316 -1.581 19628 5696 1 18 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.418 0.189 19628 5697 1 18 . 1 1 14 14 GLU C C 14 177.819 177.819 176.173 1.646 19628 5698 1 18 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.955 -0.466 19628 5699 1 18 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.645 0.356 19628 5700 1 18 . 1 1 15 15 LEU N N 15 125.767 125.767 122.962 2.805 19628 5701 1 18 . 1 1 15 15 LEU HA H 15 4.872 4.872 5.165 -0.293 19628 5702 1 18 . 1 1 15 15 LEU C C 15 178.742 178.742 178.293 0.449 19628 5703 1 18 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.237 1.084 19628 5704 1 18 . 1 1 15 15 LEU CB C 15 42.981 42.981 44.432 -1.451 19628 5705 1 18 . 1 1 16 16 LYS N N 16 120.328 120.328 120.177 0.151 19628 5706 1 18 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.047 0.110 19628 5707 1 18 . 1 1 16 16 LYS CA C 16 57.359 57.359 59.746 -2.387 19628 5708 1 18 . 1 1 16 16 LYS CB C 16 34.874 34.874 32.988 1.886 19628 5709 1 18 . 1 1 17 17 ASP N N 17 121.541 121.541 114.856 6.685 19628 5710 1 18 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.679 0.185 19628 5711 1 18 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.275 1.209 19628 5712 1 18 . 1 1 17 17 ASP CB C 17 40.908 40.908 42.938 -2.030 19628 5713 1 18 . 1 1 18 18 VAL N N 18 117.413 117.413 116.473 0.940 19628 5714 1 18 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.539 0.794 19628 5715 1 18 . 1 1 18 18 VAL C C 18 175.600 175.600 176.084 -0.484 19628 5716 1 18 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.533 -3.444 19628 5717 1 18 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.739 2.515 19628 5718 1 18 . 1 1 19 19 ALA N N 19 122.852 122.852 120.507 2.345 19628 5719 1 18 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.613 -0.220 19628 5720 1 18 . 1 1 19 19 ALA C C 19 178.737 178.737 177.995 0.742 19628 5721 1 18 . 1 1 19 19 ALA CA C 19 52.941 52.941 51.924 1.017 19628 5722 1 18 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.924 -0.926 19628 5723 1 18 . 1 1 20 20 GLY N N 20 107.686 107.686 108.228 -0.542 19628 5724 1 18 . 1 1 20 20 GLY C C 20 173.316 173.316 174.296 -0.980 19628 5725 1 18 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.975 -0.364 19628 5726 1 18 . 1 1 21 21 VAL N N 21 117.897 117.897 125.834 -7.937 19628 5727 1 18 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.930 0.020 19628 5728 1 18 . 1 1 21 21 VAL C C 21 174.804 174.804 175.270 -0.466 19628 5729 1 18 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.268 -0.241 19628 5730 1 18 . 1 1 21 21 VAL CB C 21 32.034 32.034 30.231 1.803 19628 5731 1 18 . 1 1 22 22 GLU N N 22 124.637 124.637 124.414 0.223 19628 5732 1 18 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.298 0.022 19628 5733 1 18 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.187 0.718 19628 5734 1 18 . 1 1 22 22 GLU CB C 22 32.883 32.883 31.735 1.148 19628 5735 1 18 . 1 1 23 23 PHE N N 23 124.102 124.102 124.651 -0.549 19628 5736 1 18 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.726 -0.031 19628 5737 1 18 . 1 1 23 23 PHE C C 23 177.013 177.013 176.763 0.250 19628 5738 1 18 . 1 1 23 23 PHE CA C 23 59.019 59.019 57.792 1.227 19628 5739 1 18 . 1 1 23 23 PHE CB C 23 38.771 38.771 37.972 0.799 19628 5740 1 18 . 1 1 24 24 ARG N N 24 121.555 121.555 124.239 -2.684 19628 5741 1 18 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.028 -0.160 19628 5742 1 18 . 1 1 24 24 ARG C C 24 176.567 176.567 176.291 0.276 19628 5743 1 18 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.442 0.860 19628 5744 1 18 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.542 0.313 19628 5745 1 18 . 1 1 25 25 ASP N N 25 116.629 116.629 117.162 -0.533 19628 5746 1 18 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.812 -0.021 19628 5747 1 18 . 1 1 25 25 ASP C C 25 177.266 177.266 176.156 1.110 19628 5748 1 18 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.423 -0.615 19628 5749 1 18 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.273 -0.311 19628 5750 1 18 . 1 1 26 26 LEU N N 26 125.814 125.814 125.551 0.263 19628 5751 1 18 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.374 -0.418 19628 5752 1 18 . 1 1 26 26 LEU C C 26 178.850 178.850 176.803 2.047 19628 5753 1 18 . 1 1 26 26 LEU CA C 26 57.354 57.354 55.942 1.412 19628 5754 1 18 . 1 1 26 26 LEU CB C 26 40.910 40.910 40.821 0.089 19628 5755 1 18 . 1 1 27 27 SER N N 27 113.793 113.793 114.197 -0.404 19628 5756 1 18 . 1 1 27 27 SER HA H 27 4.454 4.454 4.347 0.107 19628 5757 1 18 . 1 1 27 27 SER C C 27 175.696 175.696 175.022 0.674 19628 5758 1 18 . 1 1 27 27 SER CA C 27 60.804 60.804 60.396 0.408 19628 5759 1 18 . 1 1 27 27 SER CB C 27 63.311 63.311 63.529 -0.218 19628 5760 1 18 . 1 1 28 28 LYS N N 28 120.122 120.122 120.385 -0.263 19628 5761 1 18 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.410 0.211 19628 5762 1 18 . 1 1 28 28 LYS C C 28 177.281 177.281 175.718 1.563 19628 5763 1 18 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.747 -1.084 19628 5764 1 18 . 1 1 28 28 LYS CB C 28 33.076 33.076 33.115 -0.039 19628 5765 1 18 . 1 1 29 29 VAL N N 29 120.916 120.916 116.090 4.826 19628 5766 1 18 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.949 -0.076 19628 5767 1 18 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.837 2.788 19628 5768 1 18 . 1 1 29 29 VAL CB C 29 32.440 32.440 31.221 1.219 19628 5769 1 18 . 1 1 30 30 GLU N N 30 127.248 127.248 127.857 -0.609 19628 5770 1 18 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.412 -0.018 19628 5771 1 18 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.299 -0.872 19628 5772 1 18 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.559 1.619 19628 5773 1 18 . 1 1 31 31 PHE N N 31 126.351 126.351 126.928 -0.577 19628 5774 1 18 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.512 -0.036 19628 5775 1 18 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.688 -2.255 19628 5776 1 18 . 1 1 31 31 PHE CB C 31 35.635 35.635 37.771 -2.136 19628 5777 1 18 . 1 1 32 32 VAL N N 32 128.354 128.354 121.652 6.702 19628 5778 1 18 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.919 -0.052 19628 5779 1 18 . 1 1 32 32 VAL CA C 32 64.020 64.020 64.327 -0.307 19628 5780 1 18 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.242 -0.168 19628 5781 1 18 . 1 1 33 33 GLY N N 33 107.690 107.690 105.148 2.542 19628 5782 1 18 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.649 1.117 19628 5783 1 18 . 1 1 34 34 ALA N N 34 120.706 120.706 121.952 -1.246 19628 5784 1 18 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.847 0.307 19628 5785 1 18 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.260 -2.441 19628 5786 1 18 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.013 0.849 19628 5787 1 18 . 1 1 35 35 TYR N N 35 115.457 115.457 120.649 -5.192 19628 5788 1 18 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.881 0.062 19628 5789 1 18 . 1 1 35 35 TYR CA C 35 56.327 56.327 54.959 1.368 19628 5790 1 18 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.111 2.447 19628 5791 1 18 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.592 0.068 19628 5792 1 18 . 1 1 36 36 PRO C C 36 174.733 174.733 176.013 -1.280 19628 5793 1 18 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.218 0.721 19628 5794 1 18 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.242 0.125 19628 5795 1 18 . 1 1 37 37 SER N N 37 109.883 109.883 112.842 -2.959 19628 5796 1 18 . 1 1 37 37 SER HA H 37 4.819 4.819 4.647 0.172 19628 5797 1 18 . 1 1 37 37 SER C C 37 173.943 173.943 174.191 -0.248 19628 5798 1 18 . 1 1 37 37 SER CA C 37 56.502 56.502 56.786 -0.284 19628 5799 1 18 . 1 1 37 37 SER CB C 37 66.351 66.351 64.866 1.485 19628 5800 1 18 . 1 1 38 38 TYR N N 38 122.819 122.819 127.681 -4.862 19628 5801 1 18 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.216 -1.165 19628 5802 1 18 . 1 1 38 38 TYR C C 38 177.295 177.295 176.501 0.794 19628 5803 1 18 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.621 0.452 19628 5804 1 18 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.588 -0.924 19628 5805 1 18 . 1 1 39 39 ASP N N 39 116.964 116.964 116.897 0.067 19628 5806 1 18 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.284 -0.063 19628 5807 1 18 . 1 1 39 39 ASP C C 39 179.740 179.740 177.934 1.806 19628 5808 1 18 . 1 1 39 39 ASP CA C 39 57.754 57.754 56.191 1.563 19628 5809 1 18 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.610 0.285 19628 5810 1 18 . 1 1 40 40 GLU N N 40 116.783 116.783 118.704 -1.921 19628 5811 1 18 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.970 -0.001 19628 5812 1 18 . 1 1 40 40 GLU C C 40 178.947 178.947 177.998 0.949 19628 5813 1 18 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.944 0.268 19628 5814 1 18 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.942 1.340 19628 5815 1 18 . 1 1 41 41 ALA N N 41 122.522 122.522 122.136 0.386 19628 5816 1 18 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.893 -0.853 19628 5817 1 18 . 1 1 41 41 ALA C C 41 178.474 178.474 179.151 -0.677 19628 5818 1 18 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.645 -0.530 19628 5819 1 18 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.196 0.352 19628 5820 1 18 . 1 1 42 42 HIS N N 42 118.486 118.486 118.219 0.267 19628 5821 1 18 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.107 -0.257 19628 5822 1 18 . 1 1 42 42 HIS C C 42 177.400 177.400 177.349 0.051 19628 5823 1 18 . 1 1 42 42 HIS CA C 42 60.187 60.187 59.271 0.916 19628 5824 1 18 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.724 0.275 19628 5825 1 18 . 1 1 43 43 LYS N N 43 118.483 118.483 118.802 -0.319 19628 5826 1 18 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.048 -0.193 19628 5827 1 18 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.556 2.529 19628 5828 1 18 . 1 1 43 43 LYS CB C 43 32.696 32.696 31.949 0.747 19628 5829 1 18 . 1 1 44 44 ALA N N 44 121.891 121.891 122.634 -0.743 19628 5830 1 18 . 1 1 44 44 ALA HA H 44 3.967 3.967 3.989 -0.022 19628 5831 1 18 . 1 1 44 44 ALA C C 44 180.412 180.412 178.800 1.612 19628 5832 1 18 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.799 -0.094 19628 5833 1 18 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.877 1.182 19628 5834 1 18 . 1 1 45 45 TRP N N 45 119.065 119.065 120.183 -1.118 19628 5835 1 18 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.224 -0.790 19628 5836 1 18 . 1 1 45 45 TRP C C 45 176.748 176.748 177.540 -0.792 19628 5837 1 18 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.395 1.145 19628 5838 1 18 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.010 0.132 19628 5839 1 18 . 1 1 46 46 LYS N N 46 119.011 119.011 118.896 0.115 19628 5840 1 18 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.200 -0.257 19628 5841 1 18 . 1 1 46 46 LYS C C 46 178.523 178.523 177.979 0.544 19628 5842 1 18 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.265 1.022 19628 5843 1 18 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.267 1.270 19628 5844 1 18 . 1 1 47 47 ALA N N 47 118.189 118.189 121.895 -3.706 19628 5845 1 18 . 1 1 47 47 ALA HA H 47 3.960 3.960 4.000 -0.040 19628 5846 1 18 . 1 1 47 47 ALA C C 47 180.604 180.604 179.575 1.029 19628 5847 1 18 . 1 1 47 47 ALA CA C 47 54.203 54.203 54.823 -0.620 19628 5848 1 18 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.088 0.079 19628 5849 1 18 . 1 1 48 48 LYS N N 48 116.778 116.778 117.677 -0.899 19628 5850 1 18 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.983 -0.223 19628 5851 1 18 . 1 1 48 48 LYS C C 48 178.378 178.378 178.371 0.007 19628 5852 1 18 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.815 -1.878 19628 5853 1 18 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.216 -1.807 19628 5854 1 18 . 1 1 49 49 ALA N N 49 121.343 121.343 122.435 -1.092 19628 5855 1 18 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.041 -0.281 19628 5856 1 18 . 1 1 49 49 ALA C C 49 180.075 180.075 180.280 -0.205 19628 5857 1 18 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.656 -0.579 19628 5858 1 18 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.194 -0.572 19628 5859 1 18 . 1 1 50 50 GLN N N 50 114.507 114.507 117.236 -2.729 19628 5860 1 18 . 1 1 50 50 GLN HA H 50 4.119 4.119 3.989 0.130 19628 5861 1 18 . 1 1 50 50 GLN C C 50 176.838 176.838 178.407 -1.569 19628 5862 1 18 . 1 1 50 50 GLN CA C 50 56.643 56.643 58.040 -1.397 19628 5863 1 18 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.690 0.120 19628 5864 1 18 . 1 1 51 51 ALA N N 51 121.078 121.078 121.253 -0.175 19628 5865 1 18 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.220 0.158 19628 5866 1 18 . 1 1 51 51 ALA C C 51 178.394 178.394 178.462 -0.068 19628 5867 1 18 . 1 1 51 51 ALA CA C 51 52.823 52.823 54.172 -1.349 19628 5868 1 18 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.476 0.879 19628 5869 1 18 . 1 1 52 52 THR N N 52 111.735 111.735 111.332 0.403 19628 5870 1 18 . 1 1 52 52 THR HA H 52 4.443 4.443 4.431 0.012 19628 5871 1 18 . 1 1 52 52 THR C C 52 175.345 175.345 175.250 0.095 19628 5872 1 18 . 1 1 52 52 THR CA C 52 61.884 61.884 60.395 1.489 19628 5873 1 18 . 1 1 52 52 THR CB C 52 69.455 69.455 68.033 1.422 19628 5874 1 18 . 1 1 53 53 VAL N N 53 120.702 120.702 119.130 1.572 19628 5875 1 18 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.798 0.337 19628 5876 1 18 . 1 1 53 53 VAL C C 53 176.425 176.425 176.459 -0.034 19628 5877 1 18 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.223 -1.218 19628 5878 1 18 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.246 1.477 19628 5879 1 18 . 1 1 54 54 ASP N N 54 120.122 120.122 118.919 1.203 19628 5880 1 18 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.465 0.141 19628 5881 1 18 . 1 1 54 54 ASP C C 54 176.471 176.471 176.381 0.090 19628 5882 1 18 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.614 -0.874 19628 5883 1 18 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.125 0.033 19628 5884 1 18 . 1 1 55 55 ASN N N 55 117.542 117.542 118.865 -1.323 19628 5885 1 18 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.729 0.038 19628 5886 1 18 . 1 1 55 55 ASN C C 55 175.457 175.457 175.115 0.342 19628 5887 1 18 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.634 -0.552 19628 5888 1 18 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.189 -0.489 19628 5889 1 18 . 1 1 56 56 ALA N N 56 122.962 122.962 127.269 -4.307 19628 5890 1 18 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.219 0.088 19628 5891 1 18 . 1 1 56 56 ALA C C 56 178.144 178.144 178.148 -0.004 19628 5892 1 18 . 1 1 56 56 ALA CA C 56 53.189 53.189 53.842 -0.652 19628 5893 1 18 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.412 -0.142 19628 5894 1 18 . 1 1 57 57 HIS N N 57 114.258 114.258 115.266 -1.008 19628 5895 1 18 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.690 0.028 19628 5896 1 18 . 1 1 57 57 HIS C C 57 174.283 174.283 174.092 0.191 19628 5897 1 18 . 1 1 57 57 HIS CA C 57 55.538 55.538 54.580 0.958 19628 5898 1 18 . 1 1 57 57 HIS CB C 57 29.348 29.348 30.852 -1.504 19628 5899 1 18 . 1 1 58 58 ALA N N 58 122.364 122.364 123.565 -1.201 19628 5900 1 18 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.379 -0.078 19628 5901 1 18 . 1 1 58 58 ALA C C 58 176.549 176.549 176.936 -0.387 19628 5902 1 18 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.533 0.716 19628 5903 1 18 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.286 1.612 19628 5904 1 18 . 1 1 59 59 ARG N N 59 120.664 120.664 124.551 -3.887 19628 5905 1 18 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.458 0.119 19628 5906 1 18 . 1 1 59 59 ARG C C 59 174.047 174.047 174.700 -0.653 19628 5907 1 18 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.532 0.427 19628 5908 1 18 . 1 1 59 59 ARG CB C 59 34.241 34.241 31.278 2.963 19628 5909 1 18 . 1 1 60 60 TYR N N 60 117.222 117.222 123.303 -6.081 19628 5910 1 18 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.402 1.001 19628 5911 1 18 . 1 1 60 60 TYR C C 60 176.206 176.206 174.945 1.261 19628 5912 1 18 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.484 -1.228 19628 5913 1 18 . 1 1 60 60 TYR CB C 60 42.214 42.214 38.498 3.716 19628 5914 1 18 . 1 1 61 61 PHE N N 61 117.727 117.727 122.237 -4.510 19628 5915 1 18 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.044 0.250 19628 5916 1 18 . 1 1 61 61 PHE C C 61 174.358 174.358 175.411 -1.053 19628 5917 1 18 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.285 0.839 19628 5918 1 18 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.322 3.497 19628 5919 1 18 . 1 1 62 62 ILE N N 62 118.711 118.711 119.038 -0.327 19628 5920 1 18 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.820 0.294 19628 5921 1 18 . 1 1 62 62 ILE C C 62 174.937 174.937 175.121 -0.184 19628 5922 1 18 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.202 0.423 19628 5923 1 18 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.580 -0.406 19628 5924 1 18 . 1 1 63 63 ILE N N 63 125.236 125.236 122.030 3.206 19628 5925 1 18 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.339 0.393 19628 5926 1 18 . 1 1 63 63 ILE C C 63 176.218 176.218 174.102 2.116 19628 5927 1 18 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.274 0.547 19628 5928 1 18 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.974 -0.433 19628 5929 1 18 . 1 1 64 64 HIS N N 64 127.707 127.707 119.522 8.185 19628 5930 1 18 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.159 0.394 19628 5931 1 18 . 1 1 64 64 HIS C C 64 174.365 174.365 174.685 -0.320 19628 5932 1 18 . 1 1 64 64 HIS CA C 64 53.539 53.539 54.977 -1.438 19628 5933 1 18 . 1 1 64 64 HIS CB C 64 30.765 30.765 29.314 1.451 19628 5934 1 18 . 1 1 65 65 ALA N N 65 131.873 131.873 127.768 4.105 19628 5935 1 18 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.672 -0.117 19628 5936 1 18 . 1 1 65 65 ALA C C 65 174.433 174.433 176.274 -1.841 19628 5937 1 18 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.255 -0.881 19628 5938 1 18 . 1 1 65 65 ALA CB C 65 18.767 18.767 20.098 -1.331 19628 5939 1 18 . 1 1 66 66 HIS N N 66 120.753 120.753 118.818 1.935 19628 5940 1 18 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.479 -0.308 19628 5941 1 18 . 1 1 66 66 HIS C C 66 175.249 175.249 175.495 -0.246 19628 5942 1 18 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.557 -1.058 19628 5943 1 18 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.300 0.269 19628 5944 1 18 . 1 1 67 67 LYS N N 67 117.601 117.601 121.093 -3.492 19628 5945 1 18 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.461 -0.034 19628 5946 1 18 . 1 1 67 67 LYS C C 67 174.799 174.799 175.738 -0.939 19628 5947 1 18 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.389 -0.321 19628 5948 1 18 . 1 1 67 67 LYS CB C 67 34.784 34.784 32.492 2.292 19628 5949 1 18 . 1 1 68 68 LEU N N 68 127.238 127.238 125.492 1.746 19628 5950 1 18 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.517 -0.070 19628 5951 1 18 . 1 1 68 68 LEU C C 68 175.878 175.878 177.201 -1.323 19628 5952 1 18 . 1 1 68 68 LEU CA C 68 54.463 54.463 54.228 0.235 19628 5953 1 18 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.545 -0.973 19628 5954 1 18 . 1 1 69 69 LEU N N 69 123.968 123.968 122.706 1.262 19628 5955 1 18 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.485 0.030 19628 5956 1 18 . 1 1 69 69 LEU C C 69 176.630 176.630 176.246 0.384 19628 5957 1 18 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.675 0.528 19628 5958 1 18 . 1 1 69 69 LEU CB C 69 42.232 42.232 42.397 -0.165 19628 5959 1 18 . 1 1 70 70 ASP N N 70 122.630 122.630 125.221 -2.591 19628 5960 1 18 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.926 0.311 19628 5961 1 18 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.803 -1.814 19628 5962 1 18 . 1 1 70 70 ASP CB C 70 42.502 42.502 43.931 -1.429 19628 5963 1 18 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.439 -0.132 19628 5964 1 18 . 1 1 71 71 PRO C C 71 177.095 177.095 177.033 0.062 19628 5965 1 18 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.662 -1.110 19628 5966 1 18 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.124 -1.163 19628 5967 1 18 . 1 1 72 72 SER N N 72 114.226 114.226 113.446 0.780 19628 5968 1 18 . 1 1 72 72 SER HA H 72 4.455 4.455 4.405 0.050 19628 5969 1 18 . 1 1 72 72 SER C C 72 175.162 175.162 175.011 0.151 19628 5970 1 18 . 1 1 72 72 SER CA C 72 60.232 60.232 58.483 1.749 19628 5971 1 18 . 1 1 72 72 SER CB C 72 63.899 63.899 63.824 0.075 19628 5972 1 18 . 1 1 73 73 GLU N N 73 121.971 121.971 122.645 -0.674 19628 5973 1 18 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.350 0.058 19628 5974 1 18 . 1 1 73 73 GLU C C 73 176.312 176.312 176.680 -0.368 19628 5975 1 18 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.454 0.159 19628 5976 1 18 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.213 0.666 19628 5977 1 19 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.614 -0.078 19628 5978 1 19 . 1 1 2 2 PRO C C 2 176.988 176.988 176.240 0.748 19628 5979 1 19 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.883 0.449 19628 5980 1 19 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.110 0.131 19628 5981 1 19 . 1 1 3 3 ASP N N 3 120.121 120.121 123.087 -2.966 19628 5982 1 19 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.756 -0.130 19628 5983 1 19 . 1 1 3 3 ASP C C 3 176.550 176.550 176.181 0.369 19628 5984 1 19 . 1 1 3 3 ASP CA C 3 54.584 54.584 53.712 0.872 19628 5985 1 19 . 1 1 3 3 ASP CB C 3 41.274 41.274 42.614 -1.340 19628 5986 1 19 . 1 1 4 4 LYS N N 4 120.298 120.298 122.468 -2.170 19628 5987 1 19 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.703 -0.252 19628 5988 1 19 . 1 1 4 4 LYS C C 4 176.439 176.439 176.247 0.192 19628 5989 1 19 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.528 0.380 19628 5990 1 19 . 1 1 4 4 LYS CB C 4 33.819 33.819 33.551 0.268 19628 5991 1 19 . 1 1 5 5 GLN N N 5 122.085 122.085 120.581 1.504 19628 5992 1 19 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.375 0.088 19628 5993 1 19 . 1 1 5 5 GLN C C 5 175.305 175.305 175.278 0.027 19628 5994 1 19 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.060 0.257 19628 5995 1 19 . 1 1 5 5 GLN CB C 5 30.468 30.468 29.136 1.332 19628 5996 1 19 . 1 1 6 6 LEU N N 6 127.607 127.607 122.240 5.367 19628 5997 1 19 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.496 0.277 19628 5998 1 19 . 1 1 6 6 LEU C C 6 176.477 176.477 175.507 0.970 19628 5999 1 19 . 1 1 6 6 LEU CA C 6 54.069 54.069 54.528 -0.459 19628 6000 1 19 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.663 -0.124 19628 6001 1 19 . 1 1 7 7 LEU N N 7 124.306 124.306 121.626 2.680 19628 6002 1 19 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.633 -0.046 19628 6003 1 19 . 1 1 7 7 LEU C C 7 176.499 176.499 174.695 1.804 19628 6004 1 19 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.089 3.973 19628 6005 1 19 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.355 -0.789 19628 6006 1 19 . 1 1 8 8 HIS N N 8 124.882 124.882 119.268 5.614 19628 6007 1 19 . 1 1 8 8 HIS HA H 8 5.791 5.791 4.660 1.131 19628 6008 1 19 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.661 -0.360 19628 6009 1 19 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.444 4.095 19628 6010 1 19 . 1 1 9 9 ILE N N 9 119.723 119.723 119.206 0.517 19628 6011 1 19 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.684 0.875 19628 6012 1 19 . 1 1 9 9 ILE CA C 9 59.010 59.010 60.707 -1.697 19628 6013 1 19 . 1 1 9 9 ILE CB C 9 42.600 42.600 39.397 3.203 19628 6014 1 19 . 1 1 10 10 VAL N N 10 124.236 124.236 116.576 7.660 19628 6015 1 19 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.897 0.684 19628 6016 1 19 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.386 0.908 19628 6017 1 19 . 1 1 10 10 VAL CB C 10 34.158 34.158 32.945 1.213 19628 6018 1 19 . 1 1 11 11 VAL N N 11 119.677 119.677 119.753 -0.076 19628 6019 1 19 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.728 1.015 19628 6020 1 19 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.137 -1.047 19628 6021 1 19 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.104 1.487 19628 6022 1 19 . 1 1 12 12 GLY N N 12 107.410 107.410 107.990 -0.580 19628 6023 1 19 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.620 1.947 19628 6024 1 19 . 1 1 13 13 GLY N N 13 103.550 103.550 109.832 -6.282 19628 6025 1 19 . 1 1 13 13 GLY C C 13 172.290 172.290 173.444 -1.154 19628 6026 1 19 . 1 1 13 13 GLY CA C 13 45.021 45.021 43.353 1.667 19628 6027 1 19 . 1 1 14 14 GLU N N 14 118.735 118.735 124.597 -5.862 19628 6028 1 19 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.232 0.375 19628 6029 1 19 . 1 1 14 14 GLU C C 14 177.819 177.819 176.122 1.697 19628 6030 1 19 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.902 -0.414 19628 6031 1 19 . 1 1 14 14 GLU CB C 14 31.001 31.001 29.572 1.429 19628 6032 1 19 . 1 1 15 15 LEU N N 15 125.767 125.767 126.003 -0.236 19628 6033 1 19 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.810 0.062 19628 6034 1 19 . 1 1 15 15 LEU C C 15 178.742 178.742 177.811 0.931 19628 6035 1 19 . 1 1 15 15 LEU CA C 15 54.321 54.321 54.014 0.307 19628 6036 1 19 . 1 1 15 15 LEU CB C 15 42.981 42.981 42.915 0.066 19628 6037 1 19 . 1 1 16 16 LYS N N 16 120.328 120.328 119.371 0.957 19628 6038 1 19 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.276 -0.119 19628 6039 1 19 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.834 -1.476 19628 6040 1 19 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.057 1.817 19628 6041 1 19 . 1 1 17 17 ASP N N 17 121.541 121.541 117.018 4.523 19628 6042 1 19 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.514 0.350 19628 6043 1 19 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.327 1.157 19628 6044 1 19 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.024 -2.116 19628 6045 1 19 . 1 1 18 18 VAL N N 18 117.413 117.413 120.066 -2.653 19628 6046 1 19 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.917 0.416 19628 6047 1 19 . 1 1 18 18 VAL C C 18 175.600 175.600 176.297 -0.697 19628 6048 1 19 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.296 -3.207 19628 6049 1 19 . 1 1 18 18 VAL CB C 18 34.254 34.254 32.180 2.074 19628 6050 1 19 . 1 1 19 19 ALA N N 19 122.852 122.852 121.086 1.766 19628 6051 1 19 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.709 -0.316 19628 6052 1 19 . 1 1 19 19 ALA C C 19 178.737 178.737 177.168 1.569 19628 6053 1 19 . 1 1 19 19 ALA CA C 19 52.941 52.941 51.523 1.418 19628 6054 1 19 . 1 1 19 19 ALA CB C 19 18.997 18.997 18.951 0.046 19628 6055 1 19 . 1 1 20 20 GLY N N 20 107.686 107.686 107.542 0.144 19628 6056 1 19 . 1 1 20 20 GLY C C 20 173.316 173.316 174.082 -0.766 19628 6057 1 19 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.685 -0.074 19628 6058 1 19 . 1 1 21 21 VAL N N 21 117.897 117.897 122.870 -4.973 19628 6059 1 19 . 1 1 21 21 VAL HA H 21 3.950 3.950 4.027 -0.077 19628 6060 1 19 . 1 1 21 21 VAL C C 21 174.804 174.804 175.987 -1.183 19628 6061 1 19 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.542 -0.515 19628 6062 1 19 . 1 1 21 21 VAL CB C 21 32.034 32.034 31.643 0.391 19628 6063 1 19 . 1 1 22 22 GLU N N 22 124.637 124.637 122.525 2.112 19628 6064 1 19 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.174 0.146 19628 6065 1 19 . 1 1 22 22 GLU CA C 22 54.905 54.905 56.083 -1.177 19628 6066 1 19 . 1 1 22 22 GLU CB C 22 32.883 32.883 27.973 4.910 19628 6067 1 19 . 1 1 23 23 PHE N N 23 124.102 124.102 124.798 -0.696 19628 6068 1 19 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.335 0.360 19628 6069 1 19 . 1 1 23 23 PHE C C 23 177.013 177.013 176.875 0.138 19628 6070 1 19 . 1 1 23 23 PHE CA C 23 59.019 59.019 56.494 2.525 19628 6071 1 19 . 1 1 23 23 PHE CB C 23 38.771 38.771 37.523 1.248 19628 6072 1 19 . 1 1 24 24 ARG N N 24 121.555 121.555 123.882 -2.327 19628 6073 1 19 . 1 1 24 24 ARG HA H 24 3.868 3.868 3.979 -0.111 19628 6074 1 19 . 1 1 24 24 ARG C C 24 176.567 176.567 175.836 0.731 19628 6075 1 19 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.950 0.352 19628 6076 1 19 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.844 0.011 19628 6077 1 19 . 1 1 25 25 ASP N N 25 116.629 116.629 114.627 2.002 19628 6078 1 19 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.811 -0.020 19628 6079 1 19 . 1 1 25 25 ASP C C 25 177.266 177.266 176.778 0.488 19628 6080 1 19 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.575 -0.767 19628 6081 1 19 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.828 -0.866 19628 6082 1 19 . 1 1 26 26 LEU N N 26 125.814 125.814 124.967 0.847 19628 6083 1 19 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.505 -0.549 19628 6084 1 19 . 1 1 26 26 LEU C C 26 178.850 178.850 177.499 1.351 19628 6085 1 19 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.839 0.515 19628 6086 1 19 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.410 -0.500 19628 6087 1 19 . 1 1 27 27 SER N N 27 113.793 113.793 113.015 0.778 19628 6088 1 19 . 1 1 27 27 SER HA H 27 4.454 4.454 4.498 -0.044 19628 6089 1 19 . 1 1 27 27 SER C C 27 175.696 175.696 175.005 0.691 19628 6090 1 19 . 1 1 27 27 SER CA C 27 60.804 60.804 59.375 1.429 19628 6091 1 19 . 1 1 27 27 SER CB C 27 63.311 63.311 64.027 -0.716 19628 6092 1 19 . 1 1 28 28 LYS N N 28 120.122 120.122 120.035 0.087 19628 6093 1 19 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.400 0.221 19628 6094 1 19 . 1 1 28 28 LYS C C 28 177.281 177.281 175.484 1.797 19628 6095 1 19 . 1 1 28 28 LYS CA C 28 54.663 54.663 54.998 -0.335 19628 6096 1 19 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.471 0.605 19628 6097 1 19 . 1 1 29 29 VAL N N 29 120.916 120.916 121.041 -0.125 19628 6098 1 19 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.764 0.109 19628 6099 1 19 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.100 3.525 19628 6100 1 19 . 1 1 29 29 VAL CB C 29 32.440 32.440 31.079 1.361 19628 6101 1 19 . 1 1 30 30 GLU N N 30 127.248 127.248 129.922 -2.674 19628 6102 1 19 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.191 0.203 19628 6103 1 19 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.271 -0.844 19628 6104 1 19 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.057 2.121 19628 6105 1 19 . 1 1 31 31 PHE N N 31 126.351 126.351 126.195 0.156 19628 6106 1 19 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.400 0.076 19628 6107 1 19 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.682 -2.249 19628 6108 1 19 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.418 -2.783 19628 6109 1 19 . 1 1 32 32 VAL N N 32 128.354 128.354 123.040 5.314 19628 6110 1 19 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.884 -0.017 19628 6111 1 19 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.775 0.245 19628 6112 1 19 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.373 -0.299 19628 6113 1 19 . 1 1 33 33 GLY N N 33 107.690 107.690 105.580 2.110 19628 6114 1 19 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.564 1.202 19628 6115 1 19 . 1 1 34 34 ALA N N 34 120.706 120.706 121.974 -1.268 19628 6116 1 19 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.868 0.286 19628 6117 1 19 . 1 1 34 34 ALA CA C 34 49.819 49.819 51.660 -1.841 19628 6118 1 19 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.376 0.486 19628 6119 1 19 . 1 1 35 35 TYR N N 35 115.457 115.457 118.505 -3.048 19628 6120 1 19 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.871 0.072 19628 6121 1 19 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.211 1.116 19628 6122 1 19 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.617 1.942 19628 6123 1 19 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.457 0.203 19628 6124 1 19 . 1 1 36 36 PRO C C 36 174.733 174.733 175.400 -0.667 19628 6125 1 19 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.390 0.549 19628 6126 1 19 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.193 0.174 19628 6127 1 19 . 1 1 37 37 SER N N 37 109.883 109.883 111.703 -1.820 19628 6128 1 19 . 1 1 37 37 SER HA H 37 4.819 4.819 4.679 0.140 19628 6129 1 19 . 1 1 37 37 SER C C 37 173.943 173.943 174.201 -0.258 19628 6130 1 19 . 1 1 37 37 SER CA C 37 56.502 56.502 57.377 -0.875 19628 6131 1 19 . 1 1 37 37 SER CB C 37 66.351 66.351 65.914 0.437 19628 6132 1 19 . 1 1 38 38 TYR N N 38 122.819 122.819 126.480 -3.661 19628 6133 1 19 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.220 -1.169 19628 6134 1 19 . 1 1 38 38 TYR C C 38 177.295 177.295 176.971 0.324 19628 6135 1 19 . 1 1 38 38 TYR CA C 38 62.073 62.073 60.633 1.440 19628 6136 1 19 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.407 -0.743 19628 6137 1 19 . 1 1 39 39 ASP N N 39 116.964 116.964 117.770 -0.806 19628 6138 1 19 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.107 0.114 19628 6139 1 19 . 1 1 39 39 ASP C C 39 179.740 179.740 178.200 1.540 19628 6140 1 19 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.137 0.617 19628 6141 1 19 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.241 0.654 19628 6142 1 19 . 1 1 40 40 GLU N N 40 116.783 116.783 118.401 -1.618 19628 6143 1 19 . 1 1 40 40 GLU HA H 40 3.969 3.969 4.048 -0.079 19628 6144 1 19 . 1 1 40 40 GLU C C 40 178.947 178.947 178.328 0.619 19628 6145 1 19 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.977 0.235 19628 6146 1 19 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.975 1.307 19628 6147 1 19 . 1 1 41 41 ALA N N 41 122.522 122.522 122.412 0.110 19628 6148 1 19 . 1 1 41 41 ALA HA H 41 3.040 3.040 4.069 -1.029 19628 6149 1 19 . 1 1 41 41 ALA C C 41 178.474 178.474 179.512 -1.038 19628 6150 1 19 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.920 -0.805 19628 6151 1 19 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.430 0.118 19628 6152 1 19 . 1 1 42 42 HIS N N 42 118.486 118.486 117.676 0.810 19628 6153 1 19 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.283 -0.433 19628 6154 1 19 . 1 1 42 42 HIS C C 42 177.400 177.400 177.235 0.165 19628 6155 1 19 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.766 1.421 19628 6156 1 19 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.910 0.089 19628 6157 1 19 . 1 1 43 43 LYS N N 43 118.483 118.483 118.485 -0.002 19628 6158 1 19 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.320 -0.465 19628 6159 1 19 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.911 2.173 19628 6160 1 19 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.468 0.228 19628 6161 1 19 . 1 1 44 44 ALA N N 44 121.891 121.891 122.454 -0.563 19628 6162 1 19 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.036 -0.069 19628 6163 1 19 . 1 1 44 44 ALA C C 44 180.412 180.412 178.605 1.807 19628 6164 1 19 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.504 0.201 19628 6165 1 19 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.736 1.323 19628 6166 1 19 . 1 1 45 45 TRP N N 45 119.065 119.065 120.625 -1.560 19628 6167 1 19 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.434 -1.000 19628 6168 1 19 . 1 1 45 45 TRP C C 45 176.748 176.748 177.716 -0.968 19628 6169 1 19 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.026 1.514 19628 6170 1 19 . 1 1 45 45 TRP CB C 45 29.142 29.142 28.996 0.146 19628 6171 1 19 . 1 1 46 46 LYS N N 46 119.011 119.011 118.800 0.211 19628 6172 1 19 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.202 -0.259 19628 6173 1 19 . 1 1 46 46 LYS C C 46 178.523 178.523 178.310 0.213 19628 6174 1 19 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.332 0.955 19628 6175 1 19 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.322 1.215 19628 6176 1 19 . 1 1 47 47 ALA N N 47 118.189 118.189 122.039 -3.850 19628 6177 1 19 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.999 -0.039 19628 6178 1 19 . 1 1 47 47 ALA C C 47 180.604 180.604 180.050 0.554 19628 6179 1 19 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.080 -0.877 19628 6180 1 19 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.209 -0.042 19628 6181 1 19 . 1 1 48 48 LYS N N 48 116.778 116.778 117.883 -1.105 19628 6182 1 19 . 1 1 48 48 LYS HA H 48 3.760 3.760 4.057 -0.297 19628 6183 1 19 . 1 1 48 48 LYS C C 48 178.378 178.378 178.477 -0.099 19628 6184 1 19 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.862 -1.925 19628 6185 1 19 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.356 -1.947 19628 6186 1 19 . 1 1 49 49 ALA N N 49 121.343 121.343 123.172 -1.829 19628 6187 1 19 . 1 1 49 49 ALA HA H 49 3.760 3.760 3.995 -0.235 19628 6188 1 19 . 1 1 49 49 ALA C C 49 180.075 180.075 180.221 -0.146 19628 6189 1 19 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.933 -0.856 19628 6190 1 19 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.275 -0.653 19628 6191 1 19 . 1 1 50 50 GLN N N 50 114.507 114.507 117.663 -3.156 19628 6192 1 19 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.000 0.119 19628 6193 1 19 . 1 1 50 50 GLN C C 50 176.838 176.838 177.722 -0.884 19628 6194 1 19 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.993 -1.350 19628 6195 1 19 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.688 0.122 19628 6196 1 19 . 1 1 51 51 ALA N N 51 121.078 121.078 121.451 -0.373 19628 6197 1 19 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.185 0.193 19628 6198 1 19 . 1 1 51 51 ALA C C 51 178.394 178.394 178.252 0.142 19628 6199 1 19 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.658 -0.835 19628 6200 1 19 . 1 1 51 51 ALA CB C 51 19.355 19.355 19.124 0.231 19628 6201 1 19 . 1 1 52 52 THR N N 52 111.735 111.735 111.554 0.181 19628 6202 1 19 . 1 1 52 52 THR HA H 52 4.443 4.443 4.257 0.186 19628 6203 1 19 . 1 1 52 52 THR C C 52 175.345 175.345 174.760 0.585 19628 6204 1 19 . 1 1 52 52 THR CA C 52 61.884 61.884 61.360 0.524 19628 6205 1 19 . 1 1 52 52 THR CB C 52 69.455 69.455 67.241 2.214 19628 6206 1 19 . 1 1 53 53 VAL N N 53 120.702 120.702 122.615 -1.913 19628 6207 1 19 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.738 0.397 19628 6208 1 19 . 1 1 53 53 VAL C C 53 176.425 176.425 177.113 -0.688 19628 6209 1 19 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.980 -1.975 19628 6210 1 19 . 1 1 53 53 VAL CB C 53 32.723 32.723 32.105 0.619 19628 6211 1 19 . 1 1 54 54 ASP N N 54 120.122 120.122 119.331 0.791 19628 6212 1 19 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.360 0.246 19628 6213 1 19 . 1 1 54 54 ASP C C 54 176.471 176.471 176.281 0.190 19628 6214 1 19 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.820 -1.080 19628 6215 1 19 . 1 1 54 54 ASP CB C 54 41.158 41.158 41.012 0.146 19628 6216 1 19 . 1 1 55 55 ASN N N 55 117.542 117.542 118.738 -1.196 19628 6217 1 19 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.602 0.165 19628 6218 1 19 . 1 1 55 55 ASN C C 55 175.457 175.457 174.387 1.070 19628 6219 1 19 . 1 1 55 55 ASN CA C 55 53.082 53.082 52.842 0.241 19628 6220 1 19 . 1 1 55 55 ASN CB C 55 38.700 38.700 38.412 0.288 19628 6221 1 19 . 1 1 56 56 ALA N N 56 122.962 122.962 128.452 -5.490 19628 6222 1 19 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.423 -0.116 19628 6223 1 19 . 1 1 56 56 ALA C C 56 178.144 178.144 177.110 1.034 19628 6224 1 19 . 1 1 56 56 ALA CA C 56 53.189 53.189 52.183 1.006 19628 6225 1 19 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.760 -0.490 19628 6226 1 19 . 1 1 57 57 HIS N N 57 114.258 114.258 114.583 -0.325 19628 6227 1 19 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.115 0.603 19628 6228 1 19 . 1 1 57 57 HIS C C 57 174.283 174.283 174.315 -0.032 19628 6229 1 19 . 1 1 57 57 HIS CA C 57 55.538 55.538 56.667 -1.129 19628 6230 1 19 . 1 1 57 57 HIS CB C 57 29.348 29.348 28.611 0.737 19628 6231 1 19 . 1 1 58 58 ALA N N 58 122.364 122.364 122.111 0.253 19628 6232 1 19 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.821 -0.520 19628 6233 1 19 . 1 1 58 58 ALA C C 58 176.549 176.549 177.152 -0.603 19628 6234 1 19 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.094 1.155 19628 6235 1 19 . 1 1 58 58 ALA CB C 58 19.898 19.898 19.281 0.617 19628 6236 1 19 . 1 1 59 59 ARG N N 59 120.664 120.664 125.206 -4.542 19628 6237 1 19 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.306 0.271 19628 6238 1 19 . 1 1 59 59 ARG C C 59 174.047 174.047 175.268 -1.221 19628 6239 1 19 . 1 1 59 59 ARG CA C 59 53.959 53.959 53.919 0.040 19628 6240 1 19 . 1 1 59 59 ARG CB C 59 34.241 34.241 29.329 4.912 19628 6241 1 19 . 1 1 60 60 TYR N N 60 117.222 117.222 126.130 -8.908 19628 6242 1 19 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.590 0.813 19628 6243 1 19 . 1 1 60 60 TYR C C 60 176.206 176.206 175.059 1.147 19628 6244 1 19 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.424 -1.168 19628 6245 1 19 . 1 1 60 60 TYR CB C 60 42.214 42.214 36.326 5.888 19628 6246 1 19 . 1 1 61 61 PHE N N 61 117.727 117.727 120.927 -3.200 19628 6247 1 19 . 1 1 61 61 PHE HA H 61 5.294 5.294 4.956 0.338 19628 6248 1 19 . 1 1 61 61 PHE C C 61 174.358 174.358 175.597 -1.239 19628 6249 1 19 . 1 1 61 61 PHE CA C 61 57.123 57.123 55.437 1.686 19628 6250 1 19 . 1 1 61 61 PHE CB C 61 45.819 45.819 41.068 4.751 19628 6251 1 19 . 1 1 62 62 ILE N N 62 118.711 118.711 117.678 1.033 19628 6252 1 19 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.793 0.321 19628 6253 1 19 . 1 1 62 62 ILE C C 62 174.937 174.937 175.133 -0.196 19628 6254 1 19 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.273 0.352 19628 6255 1 19 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.118 0.056 19628 6256 1 19 . 1 1 63 63 ILE N N 63 125.236 125.236 123.475 1.761 19628 6257 1 19 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.541 0.191 19628 6258 1 19 . 1 1 63 63 ILE C C 63 176.218 176.218 174.905 1.313 19628 6259 1 19 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.329 0.492 19628 6260 1 19 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.005 0.536 19628 6261 1 19 . 1 1 64 64 HIS N N 64 127.707 127.707 123.016 4.691 19628 6262 1 19 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.124 0.429 19628 6263 1 19 . 1 1 64 64 HIS C C 64 174.365 174.365 174.238 0.127 19628 6264 1 19 . 1 1 64 64 HIS CA C 64 53.539 53.539 56.041 -2.502 19628 6265 1 19 . 1 1 64 64 HIS CB C 64 30.765 30.765 29.542 1.223 19628 6266 1 19 . 1 1 65 65 ALA N N 65 131.873 131.873 127.893 3.980 19628 6267 1 19 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.665 -0.110 19628 6268 1 19 . 1 1 65 65 ALA C C 65 174.433 174.433 174.958 -0.525 19628 6269 1 19 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.369 -0.995 19628 6270 1 19 . 1 1 65 65 ALA CB C 65 18.767 18.767 20.197 -1.430 19628 6271 1 19 . 1 1 66 66 HIS N N 66 120.753 120.753 120.605 0.148 19628 6272 1 19 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.642 -0.471 19628 6273 1 19 . 1 1 66 66 HIS C C 66 175.249 175.249 174.355 0.894 19628 6274 1 19 . 1 1 66 66 HIS CA C 66 57.499 57.499 56.994 0.505 19628 6275 1 19 . 1 1 66 66 HIS CB C 66 30.570 30.570 31.417 -0.847 19628 6276 1 19 . 1 1 67 67 LYS N N 67 117.601 117.601 122.639 -5.038 19628 6277 1 19 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.493 -0.066 19628 6278 1 19 . 1 1 67 67 LYS C C 67 174.799 174.799 175.922 -1.123 19628 6279 1 19 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.877 -0.809 19628 6280 1 19 . 1 1 67 67 LYS CB C 67 34.784 34.784 32.279 2.505 19628 6281 1 19 . 1 1 68 68 LEU N N 68 127.238 127.238 125.456 1.782 19628 6282 1 19 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.618 -0.171 19628 6283 1 19 . 1 1 68 68 LEU C C 68 175.878 175.878 177.124 -1.246 19628 6284 1 19 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.931 0.532 19628 6285 1 19 . 1 1 68 68 LEU CB C 68 41.572 41.572 43.539 -1.967 19628 6286 1 19 . 1 1 69 69 LEU N N 69 123.968 123.968 123.846 0.122 19628 6287 1 19 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.328 0.187 19628 6288 1 19 . 1 1 69 69 LEU C C 69 176.630 176.630 176.395 0.235 19628 6289 1 19 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.654 0.550 19628 6290 1 19 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.071 1.161 19628 6291 1 19 . 1 1 70 70 ASP N N 70 122.630 122.630 126.105 -3.475 19628 6292 1 19 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.838 0.399 19628 6293 1 19 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.419 -1.430 19628 6294 1 19 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.902 -0.400 19628 6295 1 19 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.505 -0.198 19628 6296 1 19 . 1 1 71 71 PRO C C 71 177.095 177.095 177.505 -0.410 19628 6297 1 19 . 1 1 71 71 PRO CA C 71 62.552 62.552 64.612 -2.060 19628 6298 1 19 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.206 -1.244 19628 6299 1 19 . 1 1 72 72 SER N N 72 114.226 114.226 111.300 2.926 19628 6300 1 19 . 1 1 72 72 SER HA H 72 4.455 4.455 4.347 0.108 19628 6301 1 19 . 1 1 72 72 SER C C 72 175.162 175.162 175.677 -0.515 19628 6302 1 19 . 1 1 72 72 SER CA C 72 60.232 60.232 60.175 0.057 19628 6303 1 19 . 1 1 72 72 SER CB C 72 63.899 63.899 63.108 0.791 19628 6304 1 19 . 1 1 73 73 GLU N N 73 121.971 121.971 118.702 3.269 19628 6305 1 19 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.440 -0.032 19628 6306 1 19 . 1 1 73 73 GLU C C 73 176.312 176.312 176.593 -0.281 19628 6307 1 19 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.461 0.152 19628 6308 1 19 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.794 0.085 19628 6309 1 20 . 1 1 2 2 PRO HA H 2 4.536 4.536 4.556 -0.020 19628 6310 1 20 . 1 1 2 2 PRO C C 2 176.988 176.988 176.020 0.968 19628 6311 1 20 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.934 0.398 19628 6312 1 20 . 1 1 2 2 PRO CB C 2 32.241 32.241 32.200 0.041 19628 6313 1 20 . 1 1 3 3 ASP N N 3 120.121 120.121 124.697 -4.576 19628 6314 1 20 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.527 0.099 19628 6315 1 20 . 1 1 3 3 ASP C C 3 176.550 176.550 175.830 0.720 19628 6316 1 20 . 1 1 3 3 ASP CA C 3 54.584 54.584 54.228 0.356 19628 6317 1 20 . 1 1 3 3 ASP CB C 3 41.274 41.274 40.884 0.390 19628 6318 1 20 . 1 1 4 4 LYS N N 4 120.298 120.298 126.844 -6.546 19628 6319 1 20 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.612 -0.161 19628 6320 1 20 . 1 1 4 4 LYS C C 4 176.439 176.439 176.865 -0.426 19628 6321 1 20 . 1 1 4 4 LYS CA C 4 55.908 55.908 54.733 1.175 19628 6322 1 20 . 1 1 4 4 LYS CB C 4 33.819 33.819 32.054 1.765 19628 6323 1 20 . 1 1 5 5 GLN N N 5 122.085 122.085 121.787 0.298 19628 6324 1 20 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.471 -0.008 19628 6325 1 20 . 1 1 5 5 GLN C C 5 175.305 175.305 176.093 -0.788 19628 6326 1 20 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.325 -0.008 19628 6327 1 20 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.611 1.857 19628 6328 1 20 . 1 1 6 6 LEU N N 6 127.607 127.607 122.026 5.581 19628 6329 1 20 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.373 0.400 19628 6330 1 20 . 1 1 6 6 LEU C C 6 176.477 176.477 176.141 0.336 19628 6331 1 20 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.394 -1.325 19628 6332 1 20 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.396 0.144 19628 6333 1 20 . 1 1 7 7 LEU N N 7 124.306 124.306 121.787 2.519 19628 6334 1 20 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.892 -0.305 19628 6335 1 20 . 1 1 7 7 LEU C C 7 176.499 176.499 175.090 1.409 19628 6336 1 20 . 1 1 7 7 LEU CA C 7 57.062 57.062 52.803 4.259 19628 6337 1 20 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.211 -0.645 19628 6338 1 20 . 1 1 8 8 HIS N N 8 124.882 124.882 119.707 5.175 19628 6339 1 20 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.013 0.778 19628 6340 1 20 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.197 0.103 19628 6341 1 20 . 1 1 8 8 HIS CB C 8 33.539 33.539 28.910 4.629 19628 6342 1 20 . 1 1 9 9 ILE N N 9 119.723 119.723 120.183 -0.460 19628 6343 1 20 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.285 1.274 19628 6344 1 20 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.695 -2.685 19628 6345 1 20 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.881 3.719 19628 6346 1 20 . 1 1 10 10 VAL N N 10 124.236 124.236 115.803 8.433 19628 6347 1 20 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.802 0.779 19628 6348 1 20 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.336 0.959 19628 6349 1 20 . 1 1 10 10 VAL CB C 10 34.158 34.158 33.586 0.572 19628 6350 1 20 . 1 1 11 11 VAL N N 11 119.677 119.677 123.803 -4.126 19628 6351 1 20 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.832 0.911 19628 6352 1 20 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.588 -1.498 19628 6353 1 20 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.198 1.393 19628 6354 1 20 . 1 1 12 12 GLY N N 12 107.410 107.410 111.574 -4.164 19628 6355 1 20 . 1 1 12 12 GLY CA C 12 46.567 46.567 45.389 1.178 19628 6356 1 20 . 1 1 13 13 GLY N N 13 103.550 103.550 106.996 -3.446 19628 6357 1 20 . 1 1 13 13 GLY C C 13 172.290 172.290 172.770 -0.480 19628 6358 1 20 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.374 0.647 19628 6359 1 20 . 1 1 14 14 GLU N N 14 118.735 118.735 120.631 -1.896 19628 6360 1 20 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.767 -0.160 19628 6361 1 20 . 1 1 14 14 GLU C C 14 177.819 177.819 176.756 1.063 19628 6362 1 20 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.004 0.484 19628 6363 1 20 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.826 0.175 19628 6364 1 20 . 1 1 15 15 LEU N N 15 125.767 125.767 124.648 1.119 19628 6365 1 20 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.710 0.162 19628 6366 1 20 . 1 1 15 15 LEU C C 15 178.742 178.742 176.800 1.942 19628 6367 1 20 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.793 0.528 19628 6368 1 20 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.326 -0.345 19628 6369 1 20 . 1 1 16 16 LYS N N 16 120.328 120.328 117.429 2.899 19628 6370 1 20 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.061 0.096 19628 6371 1 20 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.604 -1.245 19628 6372 1 20 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.269 1.605 19628 6373 1 20 . 1 1 17 17 ASP N N 17 121.541 121.541 117.239 4.302 19628 6374 1 20 . 1 1 17 17 ASP HA H 17 4.864 4.864 5.018 -0.154 19628 6375 1 20 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.955 0.530 19628 6376 1 20 . 1 1 17 17 ASP CB C 17 40.908 40.908 44.414 -3.506 19628 6377 1 20 . 1 1 18 18 VAL N N 18 117.413 117.413 119.244 -1.831 19628 6378 1 20 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.845 0.488 19628 6379 1 20 . 1 1 18 18 VAL C C 18 175.600 175.600 176.288 -0.688 19628 6380 1 20 . 1 1 18 18 VAL CA C 18 61.089 61.089 65.029 -3.940 19628 6381 1 20 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.518 2.736 19628 6382 1 20 . 1 1 19 19 ALA N N 19 122.852 122.852 120.134 2.718 19628 6383 1 20 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.609 -0.216 19628 6384 1 20 . 1 1 19 19 ALA C C 19 178.737 178.737 177.250 1.487 19628 6385 1 20 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.013 0.928 19628 6386 1 20 . 1 1 19 19 ALA CB C 19 18.997 18.997 18.383 0.614 19628 6387 1 20 . 1 1 20 20 GLY N N 20 107.686 107.686 107.620 0.066 19628 6388 1 20 . 1 1 20 20 GLY C C 20 173.316 173.316 173.748 -0.432 19628 6389 1 20 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.910 -0.299 19628 6390 1 20 . 1 1 21 21 VAL N N 21 117.897 117.897 121.765 -3.868 19628 6391 1 20 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.889 0.061 19628 6392 1 20 . 1 1 21 21 VAL C C 21 174.804 174.804 175.414 -0.610 19628 6393 1 20 . 1 1 21 21 VAL CA C 21 62.027 62.027 62.473 -0.446 19628 6394 1 20 . 1 1 21 21 VAL CB C 21 32.034 32.034 31.484 0.550 19628 6395 1 20 . 1 1 22 22 GLU N N 22 124.637 124.637 121.660 2.977 19628 6396 1 20 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.089 0.231 19628 6397 1 20 . 1 1 22 22 GLU CA C 22 54.905 54.905 55.408 -0.503 19628 6398 1 20 . 1 1 22 22 GLU CB C 22 32.883 32.883 29.228 3.655 19628 6399 1 20 . 1 1 23 23 PHE N N 23 124.102 124.102 124.399 -0.297 19628 6400 1 20 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.342 0.353 19628 6401 1 20 . 1 1 23 23 PHE C C 23 177.013 177.013 176.841 0.172 19628 6402 1 20 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.468 0.551 19628 6403 1 20 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.802 -0.031 19628 6404 1 20 . 1 1 24 24 ARG N N 24 121.555 121.555 123.414 -1.859 19628 6405 1 20 . 1 1 24 24 ARG HA H 24 3.868 3.868 3.938 -0.070 19628 6406 1 20 . 1 1 24 24 ARG C C 24 176.567 176.567 175.640 0.927 19628 6407 1 20 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.876 0.426 19628 6408 1 20 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.933 -0.078 19628 6409 1 20 . 1 1 25 25 ASP N N 25 116.629 116.629 114.252 2.377 19628 6410 1 20 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.763 0.028 19628 6411 1 20 . 1 1 25 25 ASP C C 25 177.266 177.266 176.505 0.761 19628 6412 1 20 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.436 -0.628 19628 6413 1 20 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.673 -0.711 19628 6414 1 20 . 1 1 26 26 LEU N N 26 125.814 125.814 124.539 1.275 19628 6415 1 20 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.346 -0.390 19628 6416 1 20 . 1 1 26 26 LEU C C 26 178.850 178.850 177.087 1.763 19628 6417 1 20 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.019 1.335 19628 6418 1 20 . 1 1 26 26 LEU CB C 26 40.910 40.910 40.718 0.192 19628 6419 1 20 . 1 1 27 27 SER N N 27 113.793 113.793 113.101 0.692 19628 6420 1 20 . 1 1 27 27 SER HA H 27 4.454 4.454 4.481 -0.027 19628 6421 1 20 . 1 1 27 27 SER C C 27 175.696 175.696 175.030 0.666 19628 6422 1 20 . 1 1 27 27 SER CA C 27 60.804 60.804 59.229 1.575 19628 6423 1 20 . 1 1 27 27 SER CB C 27 63.311 63.311 64.055 -0.744 19628 6424 1 20 . 1 1 28 28 LYS N N 28 120.122 120.122 120.557 -0.435 19628 6425 1 20 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.484 0.137 19628 6426 1 20 . 1 1 28 28 LYS C C 28 177.281 177.281 175.064 2.217 19628 6427 1 20 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.877 -1.214 19628 6428 1 20 . 1 1 28 28 LYS CB C 28 33.076 33.076 33.460 -0.384 19628 6429 1 20 . 1 1 29 29 VAL N N 29 120.916 120.916 116.037 4.879 19628 6430 1 20 . 1 1 29 29 VAL HA H 29 3.873 3.873 4.105 -0.232 19628 6431 1 20 . 1 1 29 29 VAL CA C 29 63.625 63.625 60.251 3.374 19628 6432 1 20 . 1 1 29 29 VAL CB C 29 32.440 32.440 31.733 0.707 19628 6433 1 20 . 1 1 30 30 GLU N N 30 127.248 127.248 127.313 -0.065 19628 6434 1 20 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.616 -0.222 19628 6435 1 20 . 1 1 30 30 GLU CA C 30 54.427 54.427 54.583 -0.156 19628 6436 1 20 . 1 1 30 30 GLU CB C 30 32.178 32.178 31.294 0.884 19628 6437 1 20 . 1 1 31 31 PHE N N 31 126.351 126.351 126.551 -0.200 19628 6438 1 20 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.548 -0.072 19628 6439 1 20 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.833 -2.400 19628 6440 1 20 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.123 -2.488 19628 6441 1 20 . 1 1 32 32 VAL N N 32 128.354 128.354 122.077 6.277 19628 6442 1 20 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.920 -0.053 19628 6443 1 20 . 1 1 32 32 VAL CA C 32 64.020 64.020 64.099 -0.079 19628 6444 1 20 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.323 -0.249 19628 6445 1 20 . 1 1 33 33 GLY N N 33 107.690 107.690 105.087 2.603 19628 6446 1 20 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.570 1.196 19628 6447 1 20 . 1 1 34 34 ALA N N 34 120.706 120.706 121.570 -0.864 19628 6448 1 20 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.881 0.273 19628 6449 1 20 . 1 1 34 34 ALA CA C 34 49.819 49.819 51.849 -2.030 19628 6450 1 20 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.311 0.551 19628 6451 1 20 . 1 1 35 35 TYR N N 35 115.457 115.457 119.259 -3.802 19628 6452 1 20 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.857 0.086 19628 6453 1 20 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.240 1.087 19628 6454 1 20 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.645 1.913 19628 6455 1 20 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.449 0.211 19628 6456 1 20 . 1 1 36 36 PRO C C 36 174.733 174.733 176.114 -1.381 19628 6457 1 20 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.961 -0.022 19628 6458 1 20 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.615 -0.248 19628 6459 1 20 . 1 1 37 37 SER N N 37 109.883 109.883 111.858 -1.975 19628 6460 1 20 . 1 1 37 37 SER HA H 37 4.819 4.819 4.716 0.103 19628 6461 1 20 . 1 1 37 37 SER C C 37 173.943 173.943 174.295 -0.352 19628 6462 1 20 . 1 1 37 37 SER CA C 37 56.502 56.502 56.507 -0.005 19628 6463 1 20 . 1 1 37 37 SER CB C 37 66.351 66.351 64.609 1.742 19628 6464 1 20 . 1 1 38 38 TYR N N 38 122.819 122.819 125.506 -2.687 19628 6465 1 20 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.251 -1.200 19628 6466 1 20 . 1 1 38 38 TYR C C 38 177.295 177.295 176.668 0.627 19628 6467 1 20 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.553 0.520 19628 6468 1 20 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.678 -1.014 19628 6469 1 20 . 1 1 39 39 ASP N N 39 116.964 116.964 118.286 -1.322 19628 6470 1 20 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.145 0.076 19628 6471 1 20 . 1 1 39 39 ASP C C 39 179.740 179.740 178.176 1.564 19628 6472 1 20 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.096 0.658 19628 6473 1 20 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.465 0.430 19628 6474 1 20 . 1 1 40 40 GLU N N 40 116.783 116.783 118.053 -1.270 19628 6475 1 20 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.975 -0.006 19628 6476 1 20 . 1 1 40 40 GLU C C 40 178.947 178.947 178.158 0.789 19628 6477 1 20 . 1 1 40 40 GLU CA C 40 59.212 59.212 59.020 0.192 19628 6478 1 20 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.933 1.349 19628 6479 1 20 . 1 1 41 41 ALA N N 41 122.522 122.522 121.891 0.631 19628 6480 1 20 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.973 -0.933 19628 6481 1 20 . 1 1 41 41 ALA C C 41 178.474 178.474 179.170 -0.696 19628 6482 1 20 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.617 -0.502 19628 6483 1 20 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.402 0.146 19628 6484 1 20 . 1 1 42 42 HIS N N 42 118.486 118.486 118.008 0.478 19628 6485 1 20 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.235 -0.385 19628 6486 1 20 . 1 1 42 42 HIS C C 42 177.400 177.400 177.386 0.014 19628 6487 1 20 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.782 1.405 19628 6488 1 20 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.780 0.219 19628 6489 1 20 . 1 1 43 43 LYS N N 43 118.483 118.483 118.966 -0.483 19628 6490 1 20 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.098 -0.243 19628 6491 1 20 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.682 2.402 19628 6492 1 20 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.159 0.537 19628 6493 1 20 . 1 1 44 44 ALA N N 44 121.891 121.891 122.547 -0.656 19628 6494 1 20 . 1 1 44 44 ALA HA H 44 3.967 3.967 3.972 -0.005 19628 6495 1 20 . 1 1 44 44 ALA C C 44 180.412 180.412 178.923 1.489 19628 6496 1 20 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.787 -0.082 19628 6497 1 20 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.862 1.197 19628 6498 1 20 . 1 1 45 45 TRP N N 45 119.065 119.065 120.263 -1.198 19628 6499 1 20 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.276 -0.842 19628 6500 1 20 . 1 1 45 45 TRP C C 45 176.748 176.748 177.507 -0.759 19628 6501 1 20 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.179 1.361 19628 6502 1 20 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.123 0.019 19628 6503 1 20 . 1 1 46 46 LYS N N 46 119.011 119.011 118.778 0.233 19628 6504 1 20 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.290 -0.347 19628 6505 1 20 . 1 1 46 46 LYS C C 46 178.523 178.523 178.203 0.320 19628 6506 1 20 . 1 1 46 46 LYS CA C 46 59.287 59.287 57.837 1.450 19628 6507 1 20 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.383 1.154 19628 6508 1 20 . 1 1 47 47 ALA N N 47 118.189 118.189 122.548 -4.359 19628 6509 1 20 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.990 -0.030 19628 6510 1 20 . 1 1 47 47 ALA C C 47 180.604 180.604 179.833 0.771 19628 6511 1 20 . 1 1 47 47 ALA CA C 47 54.203 54.203 55.081 -0.878 19628 6512 1 20 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.160 0.007 19628 6513 1 20 . 1 1 48 48 LYS N N 48 116.778 116.778 118.180 -1.402 19628 6514 1 20 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.940 -0.180 19628 6515 1 20 . 1 1 48 48 LYS C C 48 178.378 178.378 178.440 -0.062 19628 6516 1 20 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.989 -2.052 19628 6517 1 20 . 1 1 48 48 LYS CB C 48 30.409 30.409 31.932 -1.523 19628 6518 1 20 . 1 1 49 49 ALA N N 49 121.343 121.343 122.481 -1.138 19628 6519 1 20 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.096 -0.336 19628 6520 1 20 . 1 1 49 49 ALA C C 49 180.075 180.075 180.424 -0.349 19628 6521 1 20 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.921 -0.844 19628 6522 1 20 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.190 -0.568 19628 6523 1 20 . 1 1 50 50 GLN N N 50 114.507 114.507 117.626 -3.119 19628 6524 1 20 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.048 0.071 19628 6525 1 20 . 1 1 50 50 GLN C C 50 176.838 176.838 177.752 -0.914 19628 6526 1 20 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.869 -1.226 19628 6527 1 20 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.793 0.017 19628 6528 1 20 . 1 1 51 51 ALA N N 51 121.078 121.078 122.187 -1.109 19628 6529 1 20 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.149 0.229 19628 6530 1 20 . 1 1 51 51 ALA C C 51 178.394 178.394 178.147 0.247 19628 6531 1 20 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.920 -1.097 19628 6532 1 20 . 1 1 51 51 ALA CB C 51 19.355 19.355 19.199 0.156 19628 6533 1 20 . 1 1 52 52 THR N N 52 111.735 111.735 111.261 0.474 19628 6534 1 20 . 1 1 52 52 THR HA H 52 4.443 4.443 4.350 0.093 19628 6535 1 20 . 1 1 52 52 THR C C 52 175.345 175.345 174.455 0.890 19628 6536 1 20 . 1 1 52 52 THR CA C 52 61.884 61.884 61.414 0.470 19628 6537 1 20 . 1 1 52 52 THR CB C 52 69.455 69.455 68.500 0.955 19628 6538 1 20 . 1 1 53 53 VAL N N 53 120.702 120.702 123.898 -3.196 19628 6539 1 20 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.817 0.318 19628 6540 1 20 . 1 1 53 53 VAL C C 53 176.425 176.425 176.960 -0.535 19628 6541 1 20 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.595 -1.590 19628 6542 1 20 . 1 1 53 53 VAL CB C 53 32.723 32.723 32.235 0.488 19628 6543 1 20 . 1 1 54 54 ASP N N 54 120.122 120.122 119.575 0.547 19628 6544 1 20 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.431 0.175 19628 6545 1 20 . 1 1 54 54 ASP C C 54 176.471 176.471 176.336 0.135 19628 6546 1 20 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.972 -1.232 19628 6547 1 20 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.878 0.280 19628 6548 1 20 . 1 1 55 55 ASN N N 55 117.542 117.542 118.435 -0.893 19628 6549 1 20 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.516 0.251 19628 6550 1 20 . 1 1 55 55 ASN C C 55 175.457 175.457 175.168 0.289 19628 6551 1 20 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.220 -0.138 19628 6552 1 20 . 1 1 55 55 ASN CB C 55 38.700 38.700 38.587 0.113 19628 6553 1 20 . 1 1 56 56 ALA N N 56 122.962 122.962 128.519 -5.557 19628 6554 1 20 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.122 0.185 19628 6555 1 20 . 1 1 56 56 ALA C C 56 178.144 178.144 178.193 -0.049 19628 6556 1 20 . 1 1 56 56 ALA CA C 56 53.189 53.189 54.111 -0.922 19628 6557 1 20 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.237 0.033 19628 6558 1 20 . 1 1 57 57 HIS N N 57 114.258 114.258 115.482 -1.224 19628 6559 1 20 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.622 0.096 19628 6560 1 20 . 1 1 57 57 HIS C C 57 174.283 174.283 174.191 0.092 19628 6561 1 20 . 1 1 57 57 HIS CA C 57 55.538 55.538 55.919 -0.381 19628 6562 1 20 . 1 1 57 57 HIS CB C 57 29.348 29.348 30.169 -0.821 19628 6563 1 20 . 1 1 58 58 ALA N N 58 122.364 122.364 122.934 -0.570 19628 6564 1 20 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.258 0.043 19628 6565 1 20 . 1 1 58 58 ALA C C 58 176.549 176.549 177.065 -0.516 19628 6566 1 20 . 1 1 58 58 ALA CA C 58 52.249 52.249 52.490 -0.242 19628 6567 1 20 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.894 1.004 19628 6568 1 20 . 1 1 59 59 ARG N N 59 120.664 120.664 126.495 -5.831 19628 6569 1 20 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.434 0.143 19628 6570 1 20 . 1 1 59 59 ARG C C 59 174.047 174.047 174.180 -0.133 19628 6571 1 20 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.504 -0.545 19628 6572 1 20 . 1 1 59 59 ARG CB C 59 34.241 34.241 31.270 2.971 19628 6573 1 20 . 1 1 60 60 TYR N N 60 117.222 117.222 123.180 -5.958 19628 6574 1 20 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.336 1.067 19628 6575 1 20 . 1 1 60 60 TYR C C 60 176.206 176.206 175.211 0.995 19628 6576 1 20 . 1 1 60 60 TYR CA C 60 57.256 57.256 59.323 -2.067 19628 6577 1 20 . 1 1 60 60 TYR CB C 60 42.214 42.214 38.357 3.857 19628 6578 1 20 . 1 1 61 61 PHE N N 61 117.727 117.727 122.051 -4.324 19628 6579 1 20 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.173 0.121 19628 6580 1 20 . 1 1 61 61 PHE C C 61 174.358 174.358 174.964 -0.606 19628 6581 1 20 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.512 0.611 19628 6582 1 20 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.676 3.143 19628 6583 1 20 . 1 1 62 62 ILE N N 62 118.711 118.711 117.563 1.148 19628 6584 1 20 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.709 0.405 19628 6585 1 20 . 1 1 62 62 ILE C C 62 174.937 174.937 174.882 0.055 19628 6586 1 20 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.266 0.359 19628 6587 1 20 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.847 -0.673 19628 6588 1 20 . 1 1 63 63 ILE N N 63 125.236 125.236 122.938 2.298 19628 6589 1 20 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.341 0.391 19628 6590 1 20 . 1 1 63 63 ILE C C 63 176.218 176.218 174.464 1.754 19628 6591 1 20 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.936 -0.115 19628 6592 1 20 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.380 0.161 19628 6593 1 20 . 1 1 64 64 HIS N N 64 127.707 127.707 123.773 3.934 19628 6594 1 20 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.304 0.249 19628 6595 1 20 . 1 1 64 64 HIS C C 64 174.365 174.365 174.420 -0.055 19628 6596 1 20 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.061 -1.522 19628 6597 1 20 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.187 2.578 19628 6598 1 20 . 1 1 65 65 ALA N N 65 131.873 131.873 127.671 4.202 19628 6599 1 20 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.363 0.192 19628 6600 1 20 . 1 1 65 65 ALA C C 65 174.433 174.433 176.786 -2.353 19628 6601 1 20 . 1 1 65 65 ALA CA C 65 50.374 50.374 52.285 -1.911 19628 6602 1 20 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.252 -0.485 19628 6603 1 20 . 1 1 66 66 HIS N N 66 120.753 120.753 117.780 2.973 19628 6604 1 20 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.493 -0.322 19628 6605 1 20 . 1 1 66 66 HIS C C 66 175.249 175.249 175.372 -0.123 19628 6606 1 20 . 1 1 66 66 HIS CA C 66 57.499 57.499 58.705 -1.206 19628 6607 1 20 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.348 0.222 19628 6608 1 20 . 1 1 67 67 LYS N N 67 117.601 117.601 120.384 -2.783 19628 6609 1 20 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.556 -0.129 19628 6610 1 20 . 1 1 67 67 LYS C C 67 174.799 174.799 175.563 -0.764 19628 6611 1 20 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.041 0.027 19628 6612 1 20 . 1 1 67 67 LYS CB C 67 34.784 34.784 32.348 2.436 19628 6613 1 20 . 1 1 68 68 LEU N N 68 127.238 127.238 125.209 2.029 19628 6614 1 20 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.549 -0.102 19628 6615 1 20 . 1 1 68 68 LEU C C 68 175.878 175.878 177.479 -1.601 19628 6616 1 20 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.675 0.788 19628 6617 1 20 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.476 -0.904 19628 6618 1 20 . 1 1 69 69 LEU N N 69 123.968 123.968 122.004 1.964 19628 6619 1 20 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.605 -0.090 19628 6620 1 20 . 1 1 69 69 LEU C C 69 176.630 176.630 175.900 0.730 19628 6621 1 20 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.117 1.087 19628 6622 1 20 . 1 1 69 69 LEU CB C 69 42.232 42.232 42.232 0.000 19628 6623 1 20 . 1 1 70 70 ASP N N 70 122.630 122.630 125.514 -2.884 19628 6624 1 20 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.890 0.347 19628 6625 1 20 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.211 -1.222 19628 6626 1 20 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.748 -0.246 19628 6627 1 20 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.396 -0.089 19628 6628 1 20 . 1 1 71 71 PRO C C 71 177.095 177.095 177.652 -0.557 19628 6629 1 20 . 1 1 71 71 PRO CA C 71 62.552 62.552 64.421 -1.869 19628 6630 1 20 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.111 -1.150 19628 6631 1 20 . 1 1 72 72 SER N N 72 114.226 114.226 112.847 1.379 19628 6632 1 20 . 1 1 72 72 SER HA H 72 4.455 4.455 4.271 0.184 19628 6633 1 20 . 1 1 72 72 SER C C 72 175.162 175.162 176.122 -0.960 19628 6634 1 20 . 1 1 72 72 SER CA C 72 60.232 60.232 60.503 -0.271 19628 6635 1 20 . 1 1 72 72 SER CB C 72 63.899 63.899 63.384 0.515 19628 6636 1 20 . 1 1 73 73 GLU N N 73 121.971 121.971 119.321 2.650 19628 6637 1 20 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.269 0.139 19628 6638 1 20 . 1 1 73 73 GLU C C 73 176.312 176.312 177.363 -1.051 19628 6639 1 20 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.521 0.092 19628 6640 1 20 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.118 0.761 19628 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 69 2.861 -0.084 2.880 19628 2 1 1 "Average Difference" HA 72 0.378 -0.045 0.378 19628 3 1 1 "Average Difference" C 55 0.873 -0.114 0.874 19628 4 1 1 "Average Difference" CA 72 1.248 -0.052 1.256 19628 5 1 1 "Average Difference" CB 68 1.713 -0.635 1.602 19628 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19628 7 1 2 "Average Difference" N 69 2.846 0.036 2.867 19628 8 1 2 "Average Difference" HA 72 0.410 -0.012 0.413 19628 9 1 2 "Average Difference" C 55 1.014 -0.294 0.979 19628 10 1 2 "Average Difference" CA 72 1.282 0.025 1.291 19628 11 1 2 "Average Difference" CB 68 1.550 -0.464 1.490 19628 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19628 13 1 3 "Average Difference" N 69 2.929 0.112 2.948 19628 14 1 3 "Average Difference" HA 72 0.429 -0.041 0.430 19628 15 1 3 "Average Difference" C 55 0.910 -0.198 0.897 19628 16 1 3 "Average Difference" CA 72 1.211 -0.031 1.219 19628 17 1 3 "Average Difference" CB 68 1.653 -0.582 1.558 19628 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19628 19 1 4 "Average Difference" N 69 3.229 0.156 3.249 19628 20 1 4 "Average Difference" HA 72 0.383 -0.051 0.382 19628 21 1 4 "Average Difference" C 55 0.929 -0.118 0.930 19628 22 1 4 "Average Difference" CA 72 1.249 0.056 1.257 19628 23 1 4 "Average Difference" CB 68 1.453 -0.517 1.368 19628 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19628 25 1 5 "Average Difference" N 69 2.879 0.257 2.888 19628 26 1 5 "Average Difference" HA 72 0.425 -0.059 0.424 19628 27 1 5 "Average Difference" C 55 0.890 -0.125 0.889 19628 28 1 5 "Average Difference" CA 72 1.356 -0.016 1.365 19628 29 1 5 "Average Difference" CB 68 1.478 -0.554 1.380 19628 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19628 31 1 6 "Average Difference" N 69 3.170 0.431 3.164 19628 32 1 6 "Average Difference" HA 72 0.395 -0.043 0.395 19628 33 1 6 "Average Difference" C 55 0.952 -0.113 0.954 19628 34 1 6 "Average Difference" CA 72 1.339 -0.012 1.349 19628 35 1 6 "Average Difference" CB 68 1.662 -0.692 1.522 19628 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19628 37 1 7 "Average Difference" N 69 3.003 0.163 3.021 19628 38 1 7 "Average Difference" HA 72 0.410 -0.066 0.408 19628 39 1 7 "Average Difference" C 55 0.900 -0.117 0.900 19628 40 1 7 "Average Difference" CA 72 1.291 0.066 1.299 19628 41 1 7 "Average Difference" CB 68 1.588 -0.532 1.507 19628 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19628 43 1 8 "Average Difference" N 69 3.168 0.296 3.177 19628 44 1 8 "Average Difference" HA 72 0.420 -0.077 0.416 19628 45 1 8 "Average Difference" C 55 1.016 -0.111 1.020 19628 46 1 8 "Average Difference" CA 72 1.392 0.103 1.398 19628 47 1 8 "Average Difference" CB 68 1.544 -0.603 1.432 19628 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19628 49 1 9 "Average Difference" N 69 2.697 -0.245 2.706 19628 50 1 9 "Average Difference" HA 72 0.383 -0.065 0.380 19628 51 1 9 "Average Difference" C 55 0.977 -0.111 0.980 19628 52 1 9 "Average Difference" CA 72 1.347 0.061 1.355 19628 53 1 9 "Average Difference" CB 68 1.524 -0.534 1.438 19628 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19628 55 1 10 "Average Difference" N 69 3.020 0.258 3.031 19628 56 1 10 "Average Difference" HA 72 0.427 -0.061 0.425 19628 57 1 10 "Average Difference" C 55 0.923 -0.193 0.911 19628 58 1 10 "Average Difference" CA 72 1.343 0.032 1.353 19628 59 1 10 "Average Difference" CB 68 1.615 -0.580 1.519 19628 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19628 61 1 11 "Average Difference" N 69 3.252 -0.112 3.274 19628 62 1 11 "Average Difference" HA 72 0.366 -0.050 0.365 19628 63 1 11 "Average Difference" C 55 0.962 -0.211 0.947 19628 64 1 11 "Average Difference" CA 72 1.276 -0.040 1.284 19628 65 1 11 "Average Difference" CB 68 1.419 -0.493 1.340 19628 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19628 67 1 12 "Average Difference" N 69 3.077 0.307 3.084 19628 68 1 12 "Average Difference" HA 72 0.419 -0.032 0.420 19628 69 1 12 "Average Difference" C 55 0.849 -0.230 0.825 19628 70 1 12 "Average Difference" CA 72 1.246 -0.047 1.254 19628 71 1 12 "Average Difference" CB 68 1.645 -0.572 1.554 19628 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19628 73 1 13 "Average Difference" N 69 3.115 0.169 3.133 19628 74 1 13 "Average Difference" HA 72 0.403 -0.075 0.399 19628 75 1 13 "Average Difference" C 55 0.894 -0.103 0.897 19628 76 1 13 "Average Difference" CA 72 1.366 0.026 1.376 19628 77 1 13 "Average Difference" CB 68 1.546 -0.563 1.450 19628 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19628 79 1 14 "Average Difference" N 69 2.954 0.040 2.976 19628 80 1 14 "Average Difference" HA 72 0.351 -0.044 0.351 19628 81 1 14 "Average Difference" C 55 0.875 -0.136 0.873 19628 82 1 14 "Average Difference" CA 72 1.201 0.027 1.209 19628 83 1 14 "Average Difference" CB 68 1.499 -0.572 1.396 19628 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19628 85 1 15 "Average Difference" N 69 3.040 -0.022 3.062 19628 86 1 15 "Average Difference" HA 72 0.387 -0.051 0.386 19628 87 1 15 "Average Difference" C 55 0.925 -0.165 0.918 19628 88 1 15 "Average Difference" CA 72 1.247 -0.053 1.254 19628 89 1 15 "Average Difference" CB 68 1.430 -0.467 1.362 19628 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19628 91 1 16 "Average Difference" N 69 3.101 0.080 3.123 19628 92 1 16 "Average Difference" HA 72 0.424 -0.038 0.425 19628 93 1 16 "Average Difference" C 55 1.031 -0.196 1.022 19628 94 1 16 "Average Difference" CA 72 1.315 -0.013 1.324 19628 95 1 16 "Average Difference" CB 68 1.551 -0.595 1.443 19628 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19628 97 1 17 "Average Difference" N 69 3.030 0.263 3.041 19628 98 1 17 "Average Difference" HA 72 0.403 -0.060 0.401 19628 99 1 17 "Average Difference" C 55 0.844 -0.179 0.832 19628 100 1 17 "Average Difference" CA 72 1.277 -0.036 1.285 19628 101 1 17 "Average Difference" CB 68 1.538 -0.586 1.433 19628 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19628 103 1 18 "Average Difference" N 69 3.252 0.197 3.270 19628 104 1 18 "Average Difference" HA 72 0.409 -0.044 0.410 19628 105 1 18 "Average Difference" C 55 0.918 -0.143 0.916 19628 106 1 18 "Average Difference" CA 72 1.328 -0.024 1.337 19628 107 1 18 "Average Difference" CB 68 1.498 -0.540 1.408 19628 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19628 109 1 19 "Average Difference" N 69 3.046 0.350 3.048 19628 110 1 19 "Average Difference" HA 72 0.409 -0.039 0.410 19628 111 1 19 "Average Difference" C 55 0.906 -0.173 0.897 19628 112 1 19 "Average Difference" CA 72 1.348 -0.049 1.357 19628 113 1 19 "Average Difference" CB 68 1.765 -0.640 1.657 19628 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19628 115 1 20 "Average Difference" N 69 3.124 0.192 3.140 19628 116 1 20 "Average Difference" HA 72 0.399 -0.051 0.399 19628 117 1 20 "Average Difference" C 55 0.960 -0.145 0.957 19628 118 1 20 "Average Difference" CA 72 1.340 0.110 1.345 19628 119 1 20 "Average Difference" CB 68 1.528 -0.555 1.434 19628 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 19628 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 19628 _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 PRO HA H 2 4.536 4.536 4.569 -0.033 19628 2 1 . 1 1 2 2 PRO C C 2 176.988 176.988 176.033 0.955 19628 3 1 . 1 1 2 2 PRO CA C 2 63.332 63.332 62.742 0.590 19628 4 1 . 1 1 2 2 PRO CB C 2 32.241 32.241 31.695 0.546 19628 5 1 . 1 1 3 3 ASP N N 3 120.121 120.121 122.080 -1.959 19628 6 1 . 1 1 3 3 ASP HA H 3 4.626 4.626 4.612 0.014 19628 7 1 . 1 1 3 3 ASP C C 3 176.550 176.550 175.728 0.822 19628 8 1 . 1 1 3 3 ASP CA C 3 54.584 54.584 54.094 0.490 19628 9 1 . 1 1 3 3 ASP CB C 3 41.274 41.274 41.086 0.189 19628 10 1 . 1 1 4 4 LYS N N 4 120.298 120.298 123.966 -3.668 19628 11 1 . 1 1 4 4 LYS HA H 4 4.451 4.451 4.512 -0.061 19628 12 1 . 1 1 4 4 LYS C C 4 176.439 176.439 176.627 -0.188 19628 13 1 . 1 1 4 4 LYS CA C 4 55.908 55.908 55.718 0.190 19628 14 1 . 1 1 4 4 LYS CB C 4 33.819 33.819 32.749 1.070 19628 15 1 . 1 1 5 5 GLN N N 5 122.085 122.085 121.817 0.268 19628 16 1 . 1 1 5 5 GLN HA H 5 4.463 4.463 4.286 0.177 19628 17 1 . 1 1 5 5 GLN C C 5 175.305 175.305 176.128 -0.823 19628 18 1 . 1 1 5 5 GLN CA C 5 56.317 56.317 56.207 0.110 19628 19 1 . 1 1 5 5 GLN CB C 5 30.468 30.468 28.836 1.632 19628 20 1 . 1 1 6 6 LEU N N 6 127.607 127.607 121.994 5.613 19628 21 1 . 1 1 6 6 LEU HA H 6 4.773 4.773 4.356 0.417 19628 22 1 . 1 1 6 6 LEU C C 6 176.477 176.477 175.792 0.685 19628 23 1 . 1 1 6 6 LEU CA C 6 54.069 54.069 55.227 -1.158 19628 24 1 . 1 1 6 6 LEU CB C 6 42.540 42.540 42.343 0.197 19628 25 1 . 1 1 7 7 LEU N N 7 124.306 124.306 122.453 1.853 19628 26 1 . 1 1 7 7 LEU HA H 7 4.587 4.587 4.888 -0.301 19628 27 1 . 1 1 7 7 LEU C C 7 176.499 176.499 175.247 1.252 19628 28 1 . 1 1 7 7 LEU CA C 7 57.062 57.062 53.086 3.976 19628 29 1 . 1 1 7 7 LEU CB C 7 42.566 42.566 43.477 -0.910 19628 30 1 . 1 1 8 8 HIS N N 8 124.882 124.882 119.441 5.441 19628 31 1 . 1 1 8 8 HIS HA H 8 5.791 5.791 5.047 0.744 19628 32 1 . 1 1 8 8 HIS CA C 8 55.301 55.301 55.171 0.130 19628 33 1 . 1 1 8 8 HIS CB C 8 33.539 33.539 29.058 4.481 19628 34 1 . 1 1 9 9 ILE N N 9 119.723 119.723 119.988 -0.265 19628 35 1 . 1 1 9 9 ILE HA H 9 5.559 5.559 4.384 1.175 19628 36 1 . 1 1 9 9 ILE CA C 9 59.010 59.010 61.442 -2.432 19628 37 1 . 1 1 9 9 ILE CB C 9 42.600 42.600 38.977 3.623 19628 38 1 . 1 1 10 10 VAL N N 10 124.236 124.236 116.938 7.298 19628 39 1 . 1 1 10 10 VAL HA H 10 5.581 5.581 4.839 0.742 19628 40 1 . 1 1 10 10 VAL CA C 10 61.294 61.294 60.500 0.794 19628 41 1 . 1 1 10 10 VAL CB C 10 34.158 34.158 33.007 1.151 19628 42 1 . 1 1 11 11 VAL N N 11 119.677 119.677 121.748 -2.071 19628 43 1 . 1 1 11 11 VAL HA H 11 5.743 5.743 4.770 0.973 19628 44 1 . 1 1 11 11 VAL CA C 11 58.090 58.090 59.728 -1.638 19628 45 1 . 1 1 11 11 VAL CB C 11 36.591 36.591 35.272 1.319 19628 46 1 . 1 1 12 12 GLY N N 12 107.410 107.410 110.252 -2.842 19628 47 1 . 1 1 12 12 GLY CA C 12 46.567 46.567 44.548 2.019 19628 48 1 . 1 1 13 13 GLY N N 13 103.550 103.550 106.639 -3.089 19628 49 1 . 1 1 13 13 GLY C C 13 172.290 172.290 172.615 -0.325 19628 50 1 . 1 1 13 13 GLY CA C 13 45.021 45.021 44.525 0.496 19628 51 1 . 1 1 14 14 GLU N N 14 118.735 118.735 121.031 -2.296 19628 52 1 . 1 1 14 14 GLU HA H 14 4.607 4.607 4.590 0.017 19628 53 1 . 1 1 14 14 GLU C C 14 177.819 177.819 176.409 1.410 19628 54 1 . 1 1 14 14 GLU CA C 14 56.488 56.488 56.243 0.245 19628 55 1 . 1 1 14 14 GLU CB C 14 31.001 31.001 30.690 0.311 19628 56 1 . 1 1 15 15 LEU N N 15 125.767 125.767 124.400 1.367 19628 57 1 . 1 1 15 15 LEU HA H 15 4.872 4.872 4.813 0.059 19628 58 1 . 1 1 15 15 LEU C C 15 178.742 178.742 177.543 1.199 19628 59 1 . 1 1 15 15 LEU CA C 15 54.321 54.321 53.349 0.972 19628 60 1 . 1 1 15 15 LEU CB C 15 42.981 42.981 43.130 -0.149 19628 61 1 . 1 1 16 16 LYS N N 16 120.328 120.328 119.024 1.304 19628 62 1 . 1 1 16 16 LYS HA H 16 4.157 4.157 4.144 0.013 19628 63 1 . 1 1 16 16 LYS CA C 16 57.359 57.359 58.508 -1.149 19628 64 1 . 1 1 16 16 LYS CB C 16 34.874 34.874 33.101 1.773 19628 65 1 . 1 1 17 17 ASP N N 17 121.541 121.541 116.415 5.126 19628 66 1 . 1 1 17 17 ASP HA H 17 4.864 4.864 4.596 0.268 19628 67 1 . 1 1 17 17 ASP CA C 17 53.484 53.484 52.508 0.976 19628 68 1 . 1 1 17 17 ASP CB C 17 40.908 40.908 43.451 -2.543 19628 69 1 . 1 1 18 18 VAL N N 18 117.413 117.413 116.990 0.423 19628 70 1 . 1 1 18 18 VAL HA H 18 4.333 4.333 3.922 0.411 19628 71 1 . 1 1 18 18 VAL C C 18 175.600 175.600 176.615 -1.015 19628 72 1 . 1 1 18 18 VAL CA C 18 61.089 61.089 64.600 -3.511 19628 73 1 . 1 1 18 18 VAL CB C 18 34.254 34.254 31.962 2.292 19628 74 1 . 1 1 19 19 ALA N N 19 122.852 122.852 121.272 1.580 19628 75 1 . 1 1 19 19 ALA HA H 19 4.393 4.393 4.553 -0.160 19628 76 1 . 1 1 19 19 ALA C C 19 178.737 178.737 178.108 0.629 19628 77 1 . 1 1 19 19 ALA CA C 19 52.941 52.941 52.296 0.646 19628 78 1 . 1 1 19 19 ALA CB C 19 18.997 18.997 19.495 -0.498 19628 79 1 . 1 1 20 20 GLY N N 20 107.686 107.686 107.716 -0.030 19628 80 1 . 1 1 20 20 GLY C C 20 173.316 173.316 174.199 -0.883 19628 81 1 . 1 1 20 20 GLY CA C 20 44.611 44.611 44.820 -0.209 19628 82 1 . 1 1 21 21 VAL N N 21 117.897 117.897 122.950 -5.053 19628 83 1 . 1 1 21 21 VAL HA H 21 3.950 3.950 3.990 -0.040 19628 84 1 . 1 1 21 21 VAL C C 21 174.804 174.804 175.148 -0.344 19628 85 1 . 1 1 21 21 VAL CA C 21 62.027 62.027 61.989 0.038 19628 86 1 . 1 1 21 21 VAL CB C 21 32.034 32.034 31.290 0.744 19628 87 1 . 1 1 22 22 GLU N N 22 124.637 124.637 122.397 2.240 19628 88 1 . 1 1 22 22 GLU HA H 22 4.320 4.320 4.225 0.095 19628 89 1 . 1 1 22 22 GLU CA C 22 54.905 54.905 54.631 0.274 19628 90 1 . 1 1 22 22 GLU CB C 22 32.883 32.883 30.050 2.834 19628 91 1 . 1 1 23 23 PHE N N 23 124.102 124.102 124.259 -0.157 19628 92 1 . 1 1 23 23 PHE HA H 23 4.695 4.695 4.502 0.193 19628 93 1 . 1 1 23 23 PHE C C 23 177.013 177.013 176.783 0.230 19628 94 1 . 1 1 23 23 PHE CA C 23 59.019 59.019 58.361 0.658 19628 95 1 . 1 1 23 23 PHE CB C 23 38.771 38.771 38.488 0.283 19628 96 1 . 1 1 24 24 ARG N N 24 121.555 121.555 124.271 -2.716 19628 97 1 . 1 1 24 24 ARG HA H 24 3.868 3.868 4.048 -0.180 19628 98 1 . 1 1 24 24 ARG C C 24 176.567 176.567 176.224 0.343 19628 99 1 . 1 1 24 24 ARG CA C 24 59.302 59.302 58.534 0.768 19628 100 1 . 1 1 24 24 ARG CB C 24 30.855 30.855 30.946 -0.091 19628 101 1 . 1 1 25 25 ASP N N 25 116.629 116.629 115.739 0.890 19628 102 1 . 1 1 25 25 ASP HA H 25 4.791 4.791 4.795 -0.004 19628 103 1 . 1 1 25 25 ASP C C 25 177.266 177.266 176.080 1.186 19628 104 1 . 1 1 25 25 ASP CA C 25 52.808 52.808 53.464 -0.656 19628 105 1 . 1 1 25 25 ASP CB C 25 41.962 41.962 42.946 -0.984 19628 106 1 . 1 1 26 26 LEU N N 26 125.814 125.814 124.156 1.658 19628 107 1 . 1 1 26 26 LEU HA H 26 3.956 3.956 4.312 -0.356 19628 108 1 . 1 1 26 26 LEU C C 26 178.850 178.850 177.661 1.190 19628 109 1 . 1 1 26 26 LEU CA C 26 57.354 57.354 56.131 1.223 19628 110 1 . 1 1 26 26 LEU CB C 26 40.910 40.910 41.316 -0.406 19628 111 1 . 1 1 27 27 SER N N 27 113.793 113.793 113.836 -0.043 19628 112 1 . 1 1 27 27 SER HA H 27 4.454 4.454 4.411 0.043 19628 113 1 . 1 1 27 27 SER C C 27 175.696 175.696 175.188 0.508 19628 114 1 . 1 1 27 27 SER CA C 27 60.804 60.804 59.608 1.196 19628 115 1 . 1 1 27 27 SER CB C 27 63.311 63.311 63.531 -0.220 19628 116 1 . 1 1 28 28 LYS N N 28 120.122 120.122 120.120 0.002 19628 117 1 . 1 1 28 28 LYS HA H 28 4.621 4.621 4.424 0.197 19628 118 1 . 1 1 28 28 LYS C C 28 177.281 177.281 175.726 1.555 19628 119 1 . 1 1 28 28 LYS CA C 28 54.663 54.663 55.283 -0.620 19628 120 1 . 1 1 28 28 LYS CB C 28 33.076 33.076 32.855 0.221 19628 121 1 . 1 1 29 29 VAL N N 29 120.916 120.916 118.495 2.421 19628 122 1 . 1 1 29 29 VAL HA H 29 3.873 3.873 3.867 0.006 19628 123 1 . 1 1 29 29 VAL CA C 29 63.625 63.625 61.059 2.566 19628 124 1 . 1 1 29 29 VAL CB C 29 32.440 32.440 30.841 1.599 19628 125 1 . 1 1 30 30 GLU N N 30 127.248 127.248 127.652 -0.404 19628 126 1 . 1 1 30 30 GLU HA H 30 4.394 4.394 4.357 0.037 19628 127 1 . 1 1 30 30 GLU CA C 30 54.427 54.427 55.078 -0.651 19628 128 1 . 1 1 30 30 GLU CB C 30 32.178 32.178 30.417 1.761 19628 129 1 . 1 1 31 31 PHE N N 31 126.351 126.351 126.097 0.254 19628 130 1 . 1 1 31 31 PHE HA H 31 4.476 4.476 4.477 -0.001 19628 131 1 . 1 1 31 31 PHE CA C 31 56.433 56.433 58.866 -2.433 19628 132 1 . 1 1 31 31 PHE CB C 31 35.635 35.635 38.336 -2.701 19628 133 1 . 1 1 32 32 VAL N N 32 128.354 128.354 123.208 5.146 19628 134 1 . 1 1 32 32 VAL HA H 32 3.867 3.867 3.863 0.004 19628 135 1 . 1 1 32 32 VAL CA C 32 64.020 64.020 63.940 0.080 19628 136 1 . 1 1 32 32 VAL CB C 32 32.074 32.074 32.271 -0.196 19628 137 1 . 1 1 33 33 GLY N N 33 107.690 107.690 105.567 2.123 19628 138 1 . 1 1 33 33 GLY CA C 33 45.766 45.766 44.632 1.134 19628 139 1 . 1 1 34 34 ALA N N 34 120.706 120.706 121.870 -1.164 19628 140 1 . 1 1 34 34 ALA HA H 34 5.154 5.154 4.843 0.311 19628 141 1 . 1 1 34 34 ALA CA C 34 49.819 49.819 52.029 -2.210 19628 142 1 . 1 1 34 34 ALA CB C 34 21.862 21.862 21.165 0.697 19628 143 1 . 1 1 35 35 TYR N N 35 115.457 115.457 120.091 -4.634 19628 144 1 . 1 1 35 35 TYR HA H 35 4.943 4.943 4.852 0.091 19628 145 1 . 1 1 35 35 TYR CA C 35 56.327 56.327 55.378 0.949 19628 146 1 . 1 1 35 35 TYR CB C 35 42.558 42.558 40.418 2.140 19628 147 1 . 1 1 36 36 PRO HA H 36 4.660 4.660 4.469 0.191 19628 148 1 . 1 1 36 36 PRO C C 36 174.733 174.733 175.869 -1.136 19628 149 1 . 1 1 36 36 PRO CA C 36 63.939 63.939 63.607 0.332 19628 150 1 . 1 1 36 36 PRO CB C 36 32.367 32.367 32.389 -0.022 19628 151 1 . 1 1 37 37 SER N N 37 109.883 109.883 111.937 -2.054 19628 152 1 . 1 1 37 37 SER HA H 37 4.819 4.819 4.679 0.140 19628 153 1 . 1 1 37 37 SER C C 37 173.943 173.943 174.253 -0.310 19628 154 1 . 1 1 37 37 SER CA C 37 56.502 56.502 56.687 -0.185 19628 155 1 . 1 1 37 37 SER CB C 37 66.351 66.351 65.208 1.143 19628 156 1 . 1 1 38 38 TYR N N 38 122.819 122.819 126.755 -3.936 19628 157 1 . 1 1 38 38 TYR HA H 38 3.051 3.051 4.258 -1.207 19628 158 1 . 1 1 38 38 TYR C C 38 177.295 177.295 176.722 0.573 19628 159 1 . 1 1 38 38 TYR CA C 38 62.073 62.073 61.143 0.930 19628 160 1 . 1 1 38 38 TYR CB C 38 37.664 37.664 38.596 -0.932 19628 161 1 . 1 1 39 39 ASP N N 39 116.964 116.964 117.981 -1.017 19628 162 1 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.172 0.049 19628 163 1 . 1 1 39 39 ASP C C 39 179.740 179.740 178.171 1.569 19628 164 1 . 1 1 39 39 ASP CA C 39 57.754 57.754 57.156 0.598 19628 165 1 . 1 1 39 39 ASP CB C 39 40.895 40.895 40.504 0.391 19628 166 1 . 1 1 40 40 GLU N N 40 116.783 116.783 118.495 -1.712 19628 167 1 . 1 1 40 40 GLU HA H 40 3.969 3.969 3.974 -0.005 19628 168 1 . 1 1 40 40 GLU C C 40 178.947 178.947 178.261 0.686 19628 169 1 . 1 1 40 40 GLU CA C 40 59.212 59.212 58.922 0.290 19628 170 1 . 1 1 40 40 GLU CB C 40 30.282 30.282 28.991 1.291 19628 171 1 . 1 1 41 41 ALA N N 41 122.522 122.522 121.824 0.698 19628 172 1 . 1 1 41 41 ALA HA H 41 3.040 3.040 3.994 -0.954 19628 173 1 . 1 1 41 41 ALA C C 41 178.474 178.474 179.230 -0.756 19628 174 1 . 1 1 41 41 ALA CA C 41 54.115 54.115 54.735 -0.620 19628 175 1 . 1 1 41 41 ALA CB C 41 18.548 18.548 18.327 0.221 19628 176 1 . 1 1 42 42 HIS N N 42 118.486 118.486 117.717 0.769 19628 177 1 . 1 1 42 42 HIS HA H 42 3.850 3.850 4.177 -0.327 19628 178 1 . 1 1 42 42 HIS C C 42 177.400 177.400 177.204 0.196 19628 179 1 . 1 1 42 42 HIS CA C 42 60.187 60.187 58.769 1.418 19628 180 1 . 1 1 42 42 HIS CB C 42 29.999 29.999 29.738 0.261 19628 181 1 . 1 1 43 43 LYS N N 43 118.483 118.483 118.950 -0.467 19628 182 1 . 1 1 43 43 LYS HA H 43 3.855 3.855 4.087 -0.232 19628 183 1 . 1 1 43 43 LYS CA C 43 60.084 60.084 57.814 2.270 19628 184 1 . 1 1 43 43 LYS CB C 43 32.696 32.696 32.083 0.613 19628 185 1 . 1 1 44 44 ALA N N 44 121.891 121.891 122.330 -0.439 19628 186 1 . 1 1 44 44 ALA HA H 44 3.967 3.967 4.004 -0.037 19628 187 1 . 1 1 44 44 ALA C C 44 180.412 180.412 178.810 1.602 19628 188 1 . 1 1 44 44 ALA CA C 44 54.705 54.705 54.766 -0.061 19628 189 1 . 1 1 44 44 ALA CB C 44 19.059 19.059 17.883 1.176 19628 190 1 . 1 1 45 45 TRP N N 45 119.065 119.065 120.154 -1.089 19628 191 1 . 1 1 45 45 TRP HA H 45 3.434 3.434 4.277 -0.842 19628 192 1 . 1 1 45 45 TRP C C 45 176.748 176.748 177.528 -0.780 19628 193 1 . 1 1 45 45 TRP CA C 45 62.540 62.540 61.233 1.307 19628 194 1 . 1 1 45 45 TRP CB C 45 29.142 29.142 29.048 0.094 19628 195 1 . 1 1 46 46 LYS N N 46 119.011 119.011 118.881 0.130 19628 196 1 . 1 1 46 46 LYS HA H 46 2.943 2.943 3.157 -0.214 19628 197 1 . 1 1 46 46 LYS C C 46 178.523 178.523 178.146 0.377 19628 198 1 . 1 1 46 46 LYS CA C 46 59.287 59.287 58.159 1.128 19628 199 1 . 1 1 46 46 LYS CB C 46 32.537 32.537 31.315 1.222 19628 200 1 . 1 1 47 47 ALA N N 47 118.189 118.189 122.144 -3.955 19628 201 1 . 1 1 47 47 ALA HA H 47 3.960 3.960 3.983 -0.023 19628 202 1 . 1 1 47 47 ALA C C 47 180.604 180.604 179.753 0.851 19628 203 1 . 1 1 47 47 ALA CA C 47 54.203 54.203 54.986 -0.783 19628 204 1 . 1 1 47 47 ALA CB C 47 18.167 18.167 18.149 0.018 19628 205 1 . 1 1 48 48 LYS N N 48 116.778 116.778 117.700 -0.922 19628 206 1 . 1 1 48 48 LYS HA H 48 3.760 3.760 3.996 -0.236 19628 207 1 . 1 1 48 48 LYS C C 48 178.378 178.378 178.480 -0.102 19628 208 1 . 1 1 48 48 LYS CA C 48 55.937 55.937 57.889 -1.952 19628 209 1 . 1 1 48 48 LYS CB C 48 30.409 30.409 32.198 -1.789 19628 210 1 . 1 1 49 49 ALA N N 49 121.343 121.343 122.425 -1.082 19628 211 1 . 1 1 49 49 ALA HA H 49 3.760 3.760 4.069 -0.309 19628 212 1 . 1 1 49 49 ALA C C 49 180.075 180.075 179.813 0.262 19628 213 1 . 1 1 49 49 ALA CA C 49 54.077 54.077 54.682 -0.605 19628 214 1 . 1 1 49 49 ALA CB C 49 17.622 17.622 18.215 -0.593 19628 215 1 . 1 1 50 50 GLN N N 50 114.507 114.507 116.818 -2.311 19628 216 1 . 1 1 50 50 GLN HA H 50 4.119 4.119 4.041 0.078 19628 217 1 . 1 1 50 50 GLN C C 50 176.838 176.838 177.837 -0.999 19628 218 1 . 1 1 50 50 GLN CA C 50 56.643 56.643 57.748 -1.105 19628 219 1 . 1 1 50 50 GLN CB C 50 28.810 28.810 28.801 0.009 19628 220 1 . 1 1 51 51 ALA N N 51 121.078 121.078 121.556 -0.478 19628 221 1 . 1 1 51 51 ALA HA H 51 4.378 4.378 4.221 0.157 19628 222 1 . 1 1 51 51 ALA C C 51 178.394 178.394 178.391 0.003 19628 223 1 . 1 1 51 51 ALA CA C 51 52.823 52.823 53.919 -1.096 19628 224 1 . 1 1 51 51 ALA CB C 51 19.355 19.355 18.945 0.410 19628 225 1 . 1 1 52 52 THR N N 52 111.735 111.735 111.004 0.731 19628 226 1 . 1 1 52 52 THR HA H 52 4.443 4.443 4.418 0.026 19628 227 1 . 1 1 52 52 THR C C 52 175.345 175.345 174.762 0.583 19628 228 1 . 1 1 52 52 THR CA C 52 61.884 61.884 60.844 1.040 19628 229 1 . 1 1 52 52 THR CB C 52 69.455 69.455 68.208 1.247 19628 230 1 . 1 1 53 53 VAL N N 53 120.702 120.702 121.080 -0.378 19628 231 1 . 1 1 53 53 VAL HA H 53 4.135 4.135 3.860 0.275 19628 232 1 . 1 1 53 53 VAL C C 53 176.425 176.425 176.722 -0.297 19628 233 1 . 1 1 53 53 VAL CA C 53 63.005 63.005 64.173 -1.168 19628 234 1 . 1 1 53 53 VAL CB C 53 32.723 32.723 31.904 0.819 19628 235 1 . 1 1 54 54 ASP N N 54 120.122 120.122 119.612 0.510 19628 236 1 . 1 1 54 54 ASP HA H 54 4.606 4.606 4.429 0.177 19628 237 1 . 1 1 54 54 ASP C C 54 176.471 176.471 176.254 0.217 19628 238 1 . 1 1 54 54 ASP CA C 54 54.740 54.740 55.900 -1.160 19628 239 1 . 1 1 54 54 ASP CB C 54 41.158 41.158 40.936 0.222 19628 240 1 . 1 1 55 55 ASN N N 55 117.542 117.542 117.751 -0.209 19628 241 1 . 1 1 55 55 ASN HA H 55 4.767 4.767 4.655 0.112 19628 242 1 . 1 1 55 55 ASN C C 55 175.457 175.457 175.179 0.278 19628 243 1 . 1 1 55 55 ASN CA C 55 53.082 53.082 53.278 -0.196 19628 244 1 . 1 1 55 55 ASN CB C 55 38.700 38.700 39.210 -0.510 19628 245 1 . 1 1 56 56 ALA N N 56 122.962 122.962 126.658 -3.696 19628 246 1 . 1 1 56 56 ALA HA H 56 4.307 4.307 4.131 0.176 19628 247 1 . 1 1 56 56 ALA C C 56 178.144 178.144 177.702 0.442 19628 248 1 . 1 1 56 56 ALA CA C 56 53.189 53.189 53.744 -0.554 19628 249 1 . 1 1 56 56 ALA CB C 56 19.270 19.270 19.149 0.121 19628 250 1 . 1 1 57 57 HIS N N 57 114.258 114.258 115.326 -1.068 19628 251 1 . 1 1 57 57 HIS HA H 57 4.718 4.718 4.559 0.159 19628 252 1 . 1 1 57 57 HIS C C 57 174.283 174.283 174.168 0.115 19628 253 1 . 1 1 57 57 HIS CA C 57 55.538 55.538 55.005 0.533 19628 254 1 . 1 1 57 57 HIS CB C 57 29.348 29.348 29.992 -0.644 19628 255 1 . 1 1 58 58 ALA N N 58 122.364 122.364 123.679 -1.315 19628 256 1 . 1 1 58 58 ALA HA H 58 4.301 4.301 4.507 -0.206 19628 257 1 . 1 1 58 58 ALA C C 58 176.549 176.549 176.843 -0.294 19628 258 1 . 1 1 58 58 ALA CA C 58 52.249 52.249 51.845 0.404 19628 259 1 . 1 1 58 58 ALA CB C 58 19.898 19.898 18.681 1.217 19628 260 1 . 1 1 59 59 ARG N N 59 120.664 120.664 124.820 -4.156 19628 261 1 . 1 1 59 59 ARG HA H 59 4.577 4.577 4.502 0.075 19628 262 1 . 1 1 59 59 ARG C C 59 174.047 174.047 174.548 -0.501 19628 263 1 . 1 1 59 59 ARG CA C 59 53.959 53.959 54.016 -0.057 19628 264 1 . 1 1 59 59 ARG CB C 59 34.241 34.241 31.505 2.736 19628 265 1 . 1 1 60 60 TYR N N 60 117.222 117.222 123.721 -6.499 19628 266 1 . 1 1 60 60 TYR HA H 60 5.403 5.403 4.529 0.874 19628 267 1 . 1 1 60 60 TYR C C 60 176.206 176.206 174.784 1.422 19628 268 1 . 1 1 60 60 TYR CA C 60 57.256 57.256 58.325 -1.069 19628 269 1 . 1 1 60 60 TYR CB C 60 42.214 42.214 38.696 3.518 19628 270 1 . 1 1 61 61 PHE N N 61 117.727 117.727 121.278 -3.551 19628 271 1 . 1 1 61 61 PHE HA H 61 5.294 5.294 5.100 0.194 19628 272 1 . 1 1 61 61 PHE C C 61 174.358 174.358 175.150 -0.792 19628 273 1 . 1 1 61 61 PHE CA C 61 57.123 57.123 56.631 0.492 19628 274 1 . 1 1 61 61 PHE CB C 61 45.819 45.819 42.372 3.447 19628 275 1 . 1 1 62 62 ILE N N 62 118.711 118.711 118.528 0.183 19628 276 1 . 1 1 62 62 ILE HA H 62 5.114 5.114 4.783 0.331 19628 277 1 . 1 1 62 62 ILE C C 62 174.937 174.937 175.064 -0.127 19628 278 1 . 1 1 62 62 ILE CA C 62 60.625 60.625 60.307 0.318 19628 279 1 . 1 1 62 62 ILE CB C 62 41.174 41.174 41.493 -0.319 19628 280 1 . 1 1 63 63 ILE N N 63 125.236 125.236 122.646 2.590 19628 281 1 . 1 1 63 63 ILE HA H 63 4.732 4.732 4.456 0.276 19628 282 1 . 1 1 63 63 ILE C C 63 176.218 176.218 174.345 1.873 19628 283 1 . 1 1 63 63 ILE CA C 63 59.821 59.821 59.542 0.279 19628 284 1 . 1 1 63 63 ILE CB C 63 42.541 42.541 42.729 -0.188 19628 285 1 . 1 1 64 64 HIS N N 64 127.707 127.707 121.226 6.481 19628 286 1 . 1 1 64 64 HIS HA H 64 4.553 4.553 4.272 0.281 19628 287 1 . 1 1 64 64 HIS C C 64 174.365 174.365 174.517 -0.152 19628 288 1 . 1 1 64 64 HIS CA C 64 53.539 53.539 55.028 -1.489 19628 289 1 . 1 1 64 64 HIS CB C 64 30.765 30.765 28.936 1.829 19628 290 1 . 1 1 65 65 ALA N N 65 131.873 131.873 127.767 4.106 19628 291 1 . 1 1 65 65 ALA HA H 65 4.555 4.555 4.482 0.073 19628 292 1 . 1 1 65 65 ALA C C 65 174.433 174.433 176.270 -1.837 19628 293 1 . 1 1 65 65 ALA CA C 65 50.374 50.374 51.691 -1.317 19628 294 1 . 1 1 65 65 ALA CB C 65 18.767 18.767 19.508 -0.741 19628 295 1 . 1 1 66 66 HIS N N 66 120.753 120.753 118.926 1.827 19628 296 1 . 1 1 66 66 HIS HA H 66 4.171 4.171 4.505 -0.334 19628 297 1 . 1 1 66 66 HIS C C 66 175.249 175.249 175.085 0.164 19628 298 1 . 1 1 66 66 HIS CA C 66 57.499 57.499 57.909 -0.410 19628 299 1 . 1 1 66 66 HIS CB C 66 30.570 30.570 30.569 0.001 19628 300 1 . 1 1 67 67 LYS N N 67 117.601 117.601 121.563 -3.962 19628 301 1 . 1 1 67 67 LYS HA H 67 4.427 4.427 4.427 -0.000 19628 302 1 . 1 1 67 67 LYS C C 67 174.799 174.799 175.477 -0.678 19628 303 1 . 1 1 67 67 LYS CA C 67 55.068 55.068 55.557 -0.489 19628 304 1 . 1 1 67 67 LYS CB C 67 34.784 34.784 32.368 2.416 19628 305 1 . 1 1 68 68 LEU N N 68 127.238 127.238 125.163 2.075 19628 306 1 . 1 1 68 68 LEU HA H 68 4.447 4.447 4.494 -0.047 19628 307 1 . 1 1 68 68 LEU C C 68 175.878 175.878 177.187 -1.309 19628 308 1 . 1 1 68 68 LEU CA C 68 54.463 54.463 53.934 0.529 19628 309 1 . 1 1 68 68 LEU CB C 68 41.572 41.572 42.790 -1.218 19628 310 1 . 1 1 69 69 LEU N N 69 123.968 123.968 123.932 0.036 19628 311 1 . 1 1 69 69 LEU HA H 69 4.515 4.515 4.365 0.150 19628 312 1 . 1 1 69 69 LEU C C 69 176.630 176.630 176.353 0.277 19628 313 1 . 1 1 69 69 LEU CA C 69 55.204 55.204 54.657 0.547 19628 314 1 . 1 1 69 69 LEU CB C 69 42.232 42.232 41.473 0.759 19628 315 1 . 1 1 70 70 ASP N N 70 122.630 122.630 125.404 -2.774 19628 316 1 . 1 1 70 70 ASP HA H 70 5.237 5.237 4.879 0.358 19628 317 1 . 1 1 70 70 ASP CA C 70 49.989 49.989 51.597 -1.608 19628 318 1 . 1 1 70 70 ASP CB C 70 42.502 42.502 42.098 0.404 19628 319 1 . 1 1 71 71 PRO HA H 71 4.307 4.307 4.498 -0.191 19628 320 1 . 1 1 71 71 PRO C C 71 177.095 177.095 177.223 -0.128 19628 321 1 . 1 1 71 71 PRO CA C 71 62.552 62.552 63.900 -1.348 19628 322 1 . 1 1 71 71 PRO CB C 71 30.961 30.961 32.090 -1.129 19628 323 1 . 1 1 72 72 SER N N 72 114.226 114.226 113.703 0.523 19628 324 1 . 1 1 72 72 SER HA H 72 4.455 4.455 4.308 0.147 19628 325 1 . 1 1 72 72 SER C C 72 175.162 175.162 175.444 -0.282 19628 326 1 . 1 1 72 72 SER CA C 72 60.232 60.232 60.175 0.057 19628 327 1 . 1 1 72 72 SER CB C 72 63.899 63.899 63.508 0.391 19628 328 1 . 1 1 73 73 GLU N N 73 121.971 121.971 119.997 1.974 19628 329 1 . 1 1 73 73 GLU HA H 73 4.408 4.408 4.444 -0.036 19628 330 1 . 1 1 73 73 GLU C C 73 176.312 176.312 176.968 -0.656 19628 331 1 . 1 1 73 73 GLU CA C 73 56.613 56.613 56.145 0.468 19628 332 1 . 1 1 73 73 GLU CB C 73 30.879 30.879 30.588 0.291 19628 stop_ save_