data_25638 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25638 _Entry.PDB_ID 2N39 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 25638 _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 4.445 4.445 4.558 -0.113 25638 2 1 1 . 1 1 2 2 PRO C C 2 178.089 178.089 177.590 0.499 25638 3 1 1 . 1 1 2 2 PRO CA C 2 63.306 63.306 63.012 0.294 25638 4 1 1 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.202 0.266 25638 5 1 1 . 1 1 3 3 LEU N N 3 122.239 122.239 120.022 2.217 25638 6 1 1 . 1 1 3 3 LEU HA H 3 4.297 4.297 3.929 0.368 25638 7 1 1 . 1 1 3 3 LEU C C 3 178.876 178.876 176.869 2.007 25638 8 1 1 . 1 1 3 3 LEU CA C 3 55.529 55.529 55.219 0.310 25638 9 1 1 . 1 1 3 3 LEU CB C 3 42.150 42.150 41.257 0.893 25638 10 1 1 . 1 1 3 3 LEU H H 3 8.522 8.522 7.825 0.697 25638 11 1 1 . 1 1 4 4 GLY N N 4 109.572 109.572 105.372 4.200 25638 12 1 1 . 1 1 4 4 GLY C C 4 174.630 174.630 173.087 1.543 25638 13 1 1 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.597 0.736 25638 14 1 1 . 1 1 4 4 GLY H H 4 8.349 8.349 8.184 0.165 25638 15 1 1 . 1 1 5 5 SER N N 5 115.481 115.481 114.068 1.413 25638 16 1 1 . 1 1 5 5 SER HA H 5 4.513 4.513 4.296 0.217 25638 17 1 1 . 1 1 5 5 SER C C 5 174.667 174.667 173.336 1.331 25638 18 1 1 . 1 1 5 5 SER CA C 5 57.801 57.801 58.947 -1.146 25638 19 1 1 . 1 1 5 5 SER CB C 5 64.536 64.536 63.636 0.900 25638 20 1 1 . 1 1 5 5 SER H H 5 8.119 8.119 8.272 -0.153 25638 21 1 1 . 1 1 6 6 LEU N N 6 121.895 121.895 122.348 -0.453 25638 22 1 1 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.592 0.062 25638 23 1 1 . 1 1 6 6 LEU C C 6 177.932 177.932 175.604 2.328 25638 24 1 1 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.159 -0.237 25638 25 1 1 . 1 1 6 6 LEU CB C 6 44.606 44.606 44.367 0.239 25638 26 1 1 . 1 1 6 6 LEU H H 6 8.319 8.319 8.154 0.165 25638 27 1 1 . 1 1 7 7 ASP N N 7 121.978 121.978 121.771 0.207 25638 28 1 1 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.621 -0.015 25638 29 1 1 . 1 1 7 7 ASP C C 7 176.477 176.477 177.287 -0.810 25638 30 1 1 . 1 1 7 7 ASP CA C 7 53.218 53.218 53.874 -0.656 25638 31 1 1 . 1 1 7 7 ASP CB C 7 40.958 40.958 41.855 -0.897 25638 32 1 1 . 1 1 7 7 ASP H H 7 8.318 8.318 8.402 -0.084 25638 33 1 1 . 1 1 8 8 GLN N N 8 119.885 119.885 121.345 -1.460 25638 34 1 1 . 1 1 8 8 GLN HA H 8 4.086 4.086 3.987 0.099 25638 35 1 1 . 1 1 8 8 GLN C C 8 179.710 179.710 177.697 2.013 25638 36 1 1 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.767 0.059 25638 37 1 1 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.947 -0.463 25638 38 1 1 . 1 1 8 8 GLN H H 8 8.746 8.746 8.743 0.003 25638 39 1 1 . 1 1 9 9 LYS N N 9 120.863 120.863 118.411 2.452 25638 40 1 1 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.171 0.026 25638 41 1 1 . 1 1 9 9 LYS C C 9 180.333 180.333 178.949 1.384 25638 42 1 1 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.618 -0.244 25638 43 1 1 . 1 1 9 9 LYS CB C 9 31.957 31.957 30.951 1.006 25638 44 1 1 . 1 1 9 9 LYS H H 9 8.454 8.454 8.525 -0.071 25638 45 1 1 . 1 1 10 10 THR N N 10 118.654 118.654 116.716 1.938 25638 46 1 1 . 1 1 10 10 THR HA H 10 3.985 3.985 4.332 -0.347 25638 47 1 1 . 1 1 10 10 THR C C 10 177.904 177.904 176.997 0.907 25638 48 1 1 . 1 1 10 10 THR CA C 10 67.618 67.618 66.006 1.612 25638 49 1 1 . 1 1 10 10 THR CB C 10 67.523 67.523 68.307 -0.784 25638 50 1 1 . 1 1 10 10 THR H H 10 8.531 8.531 8.044 0.487 25638 51 1 1 . 1 1 11 11 PHE N N 11 123.876 123.876 122.974 0.902 25638 52 1 1 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.199 -0.205 25638 53 1 1 . 1 1 11 11 PHE C C 11 177.676 177.676 177.221 0.455 25638 54 1 1 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.700 1.519 25638 55 1 1 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.906 0.440 25638 56 1 1 . 1 1 11 11 PHE H H 11 9.296 9.296 9.030 0.266 25638 57 1 1 . 1 1 12 12 SER N N 12 114.219 114.219 115.361 -1.142 25638 58 1 1 . 1 1 12 12 SER HA H 12 4.151 4.151 4.059 0.092 25638 59 1 1 . 1 1 12 12 SER C C 12 177.922 177.922 176.820 1.102 25638 60 1 1 . 1 1 12 12 SER CA C 12 62.899 62.899 61.764 1.135 25638 61 1 1 . 1 1 12 12 SER CB C 12 63.194 63.194 62.769 0.425 25638 62 1 1 . 1 1 12 12 SER H H 12 8.306 8.306 7.810 0.496 25638 63 1 1 . 1 1 13 13 ILE N N 13 123.613 123.613 122.386 1.227 25638 64 1 1 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.770 0.067 25638 65 1 1 . 1 1 13 13 ILE C C 13 179.563 179.563 177.744 1.819 25638 66 1 1 . 1 1 13 13 ILE CA C 13 65.100 65.100 63.127 1.973 25638 67 1 1 . 1 1 13 13 ILE CB C 13 38.310 38.310 36.503 1.807 25638 68 1 1 . 1 1 13 13 ILE H H 13 7.897 7.897 8.382 -0.485 25638 69 1 1 . 1 1 14 14 CYS N N 14 118.125 118.125 117.898 0.227 25638 70 1 1 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.857 -0.306 25638 71 1 1 . 1 1 14 14 CYS C C 14 176.010 176.010 176.836 -0.826 25638 72 1 1 . 1 1 14 14 CYS CA C 14 64.572 64.572 61.185 3.387 25638 73 1 1 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.700 1.021 25638 74 1 1 . 1 1 14 14 CYS H H 14 8.329 8.329 8.183 0.146 25638 75 1 1 . 1 1 15 15 LYS N N 15 118.532 118.532 120.575 -2.043 25638 76 1 1 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.642 -0.493 25638 77 1 1 . 1 1 15 15 LYS C C 15 179.846 179.846 177.924 1.922 25638 78 1 1 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.506 0.226 25638 79 1 1 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.899 0.193 25638 80 1 1 . 1 1 15 15 LYS H H 15 8.025 8.025 7.130 0.895 25638 81 1 1 . 1 1 16 16 GLU N N 16 118.138 118.138 115.775 2.363 25638 82 1 1 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.018 0.009 25638 83 1 1 . 1 1 16 16 GLU C C 16 180.959 180.959 179.182 1.777 25638 84 1 1 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.494 0.648 25638 85 1 1 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.569 -0.456 25638 86 1 1 . 1 1 16 16 GLU H H 16 7.403 7.403 7.726 -0.323 25638 87 1 1 . 1 1 17 17 ARG N N 17 117.969 117.969 119.669 -1.700 25638 88 1 1 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.182 -0.119 25638 89 1 1 . 1 1 17 17 ARG C C 17 179.544 179.544 178.520 1.024 25638 90 1 1 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.746 0.409 25638 91 1 1 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.417 -0.450 25638 92 1 1 . 1 1 17 17 ARG H H 17 8.325 8.325 7.845 0.480 25638 93 1 1 . 1 1 18 18 MET N N 18 113.332 113.332 118.882 -5.550 25638 94 1 1 . 1 1 18 18 MET HA H 18 4.561 4.561 4.439 0.122 25638 95 1 1 . 1 1 18 18 MET C C 18 176.890 176.890 175.523 1.367 25638 96 1 1 . 1 1 18 18 MET CA C 18 53.377 53.377 55.011 -1.634 25638 97 1 1 . 1 1 18 18 MET CB C 18 29.724 29.724 30.221 -0.497 25638 98 1 1 . 1 1 18 18 MET H H 18 7.718 7.718 8.260 -0.542 25638 99 1 1 . 1 1 19 19 ARG N N 19 123.288 123.288 121.847 1.441 25638 100 1 1 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.531 -0.380 25638 101 1 1 . 1 1 19 19 ARG C C 19 176.556 176.556 176.151 0.405 25638 102 1 1 . 1 1 19 19 ARG CA C 19 61.133 61.133 59.617 1.516 25638 103 1 1 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.781 -0.523 25638 104 1 1 . 1 1 19 19 ARG H H 19 7.152 7.152 7.967 -0.815 25638 105 1 1 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.216 0.127 25638 106 1 1 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.539 0.458 25638 107 1 1 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.119 0.721 25638 108 1 1 . 1 1 21 21 VAL N N 21 105.802 105.802 113.674 -7.872 25638 109 1 1 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.049 0.772 25638 110 1 1 . 1 1 21 21 VAL C C 21 176.261 176.261 176.882 -0.621 25638 111 1 1 . 1 1 21 21 VAL CA C 21 59.103 59.103 61.749 -2.646 25638 112 1 1 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.139 0.717 25638 113 1 1 . 1 1 21 21 VAL H H 21 7.352 7.352 7.820 -0.468 25638 114 1 1 . 1 1 22 22 LYS N N 22 122.802 122.802 122.101 0.701 25638 115 1 1 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.773 -0.009 25638 116 1 1 . 1 1 22 22 LYS C C 22 178.758 178.758 178.332 0.426 25638 117 1 1 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.218 0.114 25638 118 1 1 . 1 1 22 22 LYS CB C 22 32.214 32.214 31.911 0.303 25638 119 1 1 . 1 1 22 22 LYS H H 22 7.640 7.640 7.846 -0.206 25638 120 1 1 . 1 1 23 23 ALA N N 23 120.067 120.067 121.009 -0.942 25638 121 1 1 . 1 1 23 23 ALA HA H 23 4.075 4.075 3.992 0.083 25638 122 1 1 . 1 1 23 23 ALA C C 23 180.998 180.998 179.294 1.704 25638 123 1 1 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.223 -0.064 25638 124 1 1 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.909 0.005 25638 125 1 1 . 1 1 23 23 ALA H H 23 8.571 8.571 8.076 0.495 25638 126 1 1 . 1 1 24 24 ALA N N 24 121.068 121.068 120.951 0.117 25638 127 1 1 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.075 0.087 25638 128 1 1 . 1 1 24 24 ALA C C 24 180.271 180.271 179.465 0.806 25638 129 1 1 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.624 0.132 25638 130 1 1 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.483 -0.290 25638 131 1 1 . 1 1 24 24 ALA H H 24 7.320 7.320 8.010 -0.690 25638 132 1 1 . 1 1 25 25 LEU N N 25 117.214 117.214 118.502 -1.288 25638 133 1 1 . 1 1 25 25 LEU HA H 25 3.711 3.711 4.052 -0.341 25638 134 1 1 . 1 1 25 25 LEU C C 25 179.524 179.524 178.725 0.799 25638 135 1 1 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.027 -0.076 25638 136 1 1 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.421 -0.791 25638 137 1 1 . 1 1 25 25 LEU H H 25 7.698 7.698 8.027 -0.329 25638 138 1 1 . 1 1 26 26 LYS N N 26 116.336 116.336 119.168 -2.832 25638 139 1 1 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.027 0.136 25638 140 1 1 . 1 1 26 26 LYS C C 26 179.308 179.308 179.094 0.214 25638 141 1 1 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.423 -1.009 25638 142 1 1 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.413 -0.247 25638 143 1 1 . 1 1 26 26 LYS H H 26 7.675 7.675 8.220 -0.545 25638 144 1 1 . 1 1 27 27 GLN N N 27 116.118 116.118 117.292 -1.174 25638 145 1 1 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.312 -0.037 25638 146 1 1 . 1 1 27 27 GLN C C 27 178.679 178.679 178.492 0.187 25638 147 1 1 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.568 -1.761 25638 148 1 1 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.644 1.376 25638 149 1 1 . 1 1 27 27 GLN H H 27 7.520 7.520 8.395 -0.875 25638 150 1 1 . 1 1 28 28 LEU N N 28 121.335 121.335 117.859 3.476 25638 151 1 1 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.264 -0.111 25638 152 1 1 . 1 1 28 28 LEU C C 28 178.168 178.168 178.799 -0.631 25638 153 1 1 . 1 1 28 28 LEU CA C 28 58.042 58.042 57.242 0.800 25638 154 1 1 . 1 1 28 28 LEU CB C 28 41.911 41.911 41.870 0.041 25638 155 1 1 . 1 1 28 28 LEU H H 28 7.506 7.506 7.424 0.082 25638 156 1 1 . 1 1 29 29 ASP N N 29 117.486 117.486 119.899 -2.413 25638 157 1 1 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.656 0.258 25638 158 1 1 . 1 1 29 29 ASP C C 29 176.772 176.772 176.659 0.113 25638 159 1 1 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.565 -2.438 25638 160 1 1 . 1 1 29 29 ASP CB C 29 42.715 42.715 41.881 0.834 25638 161 1 1 . 1 1 29 29 ASP H H 29 8.120 8.120 7.822 0.298 25638 162 1 1 . 1 1 30 30 ARG N N 30 119.107 119.107 119.566 -0.459 25638 163 1 1 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.917 -0.156 25638 164 1 1 . 1 1 30 30 ARG C C 30 173.824 173.824 174.123 -0.299 25638 165 1 1 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.246 -0.015 25638 166 1 1 . 1 1 30 30 ARG CB C 30 31.311 31.311 32.048 -0.737 25638 167 1 1 . 1 1 30 30 ARG H H 30 7.701 7.701 8.013 -0.312 25638 168 1 1 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.621 -0.355 25638 169 1 1 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.285 0.659 25638 170 1 1 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.332 -0.318 25638 171 1 1 . 1 1 32 32 GLU N N 32 122.391 122.391 121.083 1.308 25638 172 1 1 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.190 -0.002 25638 173 1 1 . 1 1 32 32 GLU C C 32 177.401 177.401 175.941 1.460 25638 174 1 1 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.531 -0.142 25638 175 1 1 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.155 0.033 25638 176 1 1 . 1 1 32 32 GLU H H 32 8.454 8.454 8.245 0.209 25638 177 1 1 . 1 1 33 33 LYS N N 33 123.127 123.127 121.824 1.303 25638 178 1 1 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.399 -0.223 25638 179 1 1 . 1 1 33 33 LYS C C 33 178.482 178.482 176.305 2.177 25638 180 1 1 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.617 0.509 25638 181 1 1 . 1 1 33 33 LYS CB C 33 32.640 32.640 34.333 -1.693 25638 182 1 1 . 1 1 33 33 LYS H H 33 8.338 8.338 8.614 -0.276 25638 183 1 1 . 1 1 34 34 GLY N N 34 109.507 109.507 108.333 1.174 25638 184 1 1 . 1 1 34 34 GLY C C 34 175.475 175.475 174.050 1.425 25638 185 1 1 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.249 0.069 25638 186 1 1 . 1 1 34 34 GLY H H 34 8.643 8.643 8.107 0.536 25638 187 1 1 . 1 1 35 35 LEU N N 35 120.392 120.392 119.997 0.395 25638 188 1 1 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.810 -0.295 25638 189 1 1 . 1 1 35 35 LEU C C 35 178.797 178.797 176.688 2.109 25638 190 1 1 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.484 0.965 25638 191 1 1 . 1 1 35 35 LEU CB C 35 43.116 43.116 43.916 -0.799 25638 192 1 1 . 1 1 35 35 LEU H H 35 7.480 7.480 7.608 -0.128 25638 193 1 1 . 1 1 36 36 SER N N 36 118.629 118.629 115.873 2.756 25638 194 1 1 . 1 1 36 36 SER HA H 36 4.471 4.471 4.615 -0.144 25638 195 1 1 . 1 1 36 36 SER C C 36 175.632 175.632 175.342 0.290 25638 196 1 1 . 1 1 36 36 SER CA C 36 57.814 57.814 57.514 0.300 25638 197 1 1 . 1 1 36 36 SER CB C 36 64.678 64.678 64.062 0.616 25638 198 1 1 . 1 1 36 36 SER H H 36 8.838 8.838 8.190 0.648 25638 199 1 1 . 1 1 37 37 GLU N N 37 122.722 122.722 121.947 0.775 25638 200 1 1 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.097 -0.083 25638 201 1 1 . 1 1 37 37 GLU C C 37 179.976 179.976 179.049 0.927 25638 202 1 1 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.461 1.117 25638 203 1 1 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.597 -0.248 25638 204 1 1 . 1 1 37 37 GLU H H 37 9.018 9.018 8.973 0.045 25638 205 1 1 . 1 1 38 38 ARG N N 38 118.418 118.418 120.062 -1.644 25638 206 1 1 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.194 -0.081 25638 207 1 1 . 1 1 38 38 ARG C C 38 180.212 180.212 178.538 1.674 25638 208 1 1 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.973 0.475 25638 209 1 1 . 1 1 38 38 ARG CB C 38 29.807 29.807 29.686 0.121 25638 210 1 1 . 1 1 38 38 ARG H H 38 8.509 8.509 8.483 0.026 25638 211 1 1 . 1 1 39 39 GLU N N 39 119.730 119.730 118.505 1.225 25638 212 1 1 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.075 0.015 25638 213 1 1 . 1 1 39 39 GLU C C 39 180.529 180.529 179.199 1.330 25638 214 1 1 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.830 -0.937 25638 215 1 1 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.913 1.645 25638 216 1 1 . 1 1 39 39 GLU H H 39 7.761 7.761 8.610 -0.849 25638 217 1 1 . 1 1 40 40 GLN N N 40 121.665 121.665 118.783 2.882 25638 218 1 1 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.012 0.032 25638 219 1 1 . 1 1 40 40 GLN C C 40 179.760 179.760 178.618 1.142 25638 220 1 1 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.615 0.755 25638 221 1 1 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.368 0.120 25638 222 1 1 . 1 1 40 40 GLN H H 40 8.871 8.871 7.652 1.219 25638 223 1 1 . 1 1 41 41 LEU N N 41 121.002 121.002 120.317 0.685 25638 224 1 1 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.054 0.173 25638 225 1 1 . 1 1 41 41 LEU C C 41 180.841 180.841 178.965 1.876 25638 226 1 1 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.031 0.259 25638 227 1 1 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.477 0.124 25638 228 1 1 . 1 1 41 41 LEU H H 41 8.140 8.140 8.072 0.068 25638 229 1 1 . 1 1 42 42 GLU N N 42 119.818 119.818 118.105 1.713 25638 230 1 1 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.946 0.288 25638 231 1 1 . 1 1 42 42 GLU C C 42 179.603 179.603 178.565 1.038 25638 232 1 1 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.283 -0.373 25638 233 1 1 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.114 -0.148 25638 234 1 1 . 1 1 42 42 GLU H H 42 7.894 7.894 7.875 0.019 25638 235 1 1 . 1 1 43 43 HIS N N 43 119.964 119.964 120.644 -0.680 25638 236 1 1 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.129 0.292 25638 237 1 1 . 1 1 43 43 HIS C C 43 179.140 179.140 177.688 1.452 25638 238 1 1 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.280 -0.467 25638 239 1 1 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.078 -0.634 25638 240 1 1 . 1 1 43 43 HIS H H 43 8.437 8.437 8.521 -0.084 25638 241 1 1 . 1 1 44 44 THR N N 44 117.768 117.768 115.104 2.664 25638 242 1 1 . 1 1 44 44 THR HA H 44 3.884 3.884 4.071 -0.187 25638 243 1 1 . 1 1 44 44 THR C C 44 179.008 179.008 176.580 2.428 25638 244 1 1 . 1 1 44 44 THR CA C 44 67.603 67.603 67.259 0.344 25638 245 1 1 . 1 1 44 44 THR CB C 44 68.981 68.981 68.766 0.215 25638 246 1 1 . 1 1 44 44 THR H H 44 8.589 8.589 8.409 0.180 25638 247 1 1 . 1 1 45 45 ARG N N 45 121.750 121.750 121.775 -0.025 25638 248 1 1 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.167 -0.288 25638 249 1 1 . 1 1 45 45 ARG C C 45 178.817 178.817 178.742 0.075 25638 250 1 1 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.646 1.213 25638 251 1 1 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.477 1.239 25638 252 1 1 . 1 1 45 45 ARG H H 45 8.255 8.255 7.614 0.641 25638 253 1 1 . 1 1 46 46 GLN N N 46 116.576 116.576 119.332 -2.756 25638 254 1 1 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.067 -0.043 25638 255 1 1 . 1 1 46 46 GLN C C 46 181.018 181.018 178.765 2.253 25638 256 1 1 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.909 0.666 25638 257 1 1 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.312 -0.557 25638 258 1 1 . 1 1 46 46 GLN H H 46 8.328 8.328 8.304 0.024 25638 259 1 1 . 1 1 47 47 CYS N N 47 118.569 118.569 118.904 -0.335 25638 260 1 1 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.032 0.051 25638 261 1 1 . 1 1 47 47 CYS C C 47 177.244 177.244 176.821 0.423 25638 262 1 1 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.681 0.422 25638 263 1 1 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.812 -0.749 25638 264 1 1 . 1 1 47 47 CYS H H 47 8.029 8.029 8.352 -0.323 25638 265 1 1 . 1 1 48 48 LEU N N 48 119.873 119.873 122.299 -2.426 25638 266 1 1 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.037 0.032 25638 267 1 1 . 1 1 48 48 LEU C C 48 179.839 179.839 178.526 1.313 25638 268 1 1 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.529 -0.216 25638 269 1 1 . 1 1 48 48 LEU CB C 48 42.225 42.225 42.059 0.166 25638 270 1 1 . 1 1 48 48 LEU H H 48 8.539 8.539 8.343 0.196 25638 271 1 1 . 1 1 49 49 ILE N N 49 119.523 119.523 115.842 3.681 25638 272 1 1 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.083 -0.113 25638 273 1 1 . 1 1 49 49 ILE C C 49 178.188 178.188 177.633 0.555 25638 274 1 1 . 1 1 49 49 ILE CA C 49 66.211 66.211 64.673 1.538 25638 275 1 1 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.021 0.974 25638 276 1 1 . 1 1 49 49 ILE H H 49 8.516 8.516 8.751 -0.235 25638 277 1 1 . 1 1 50 50 LYS N N 50 118.622 118.622 120.118 -1.496 25638 278 1 1 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.090 0.103 25638 279 1 1 . 1 1 50 50 LYS C C 50 181.391 181.391 178.852 2.539 25638 280 1 1 . 1 1 50 50 LYS CA C 50 59.547 59.547 58.879 0.668 25638 281 1 1 . 1 1 50 50 LYS CB C 50 32.590 32.590 31.937 0.653 25638 282 1 1 . 1 1 50 50 LYS H H 50 7.522 7.522 7.422 0.100 25638 283 1 1 . 1 1 51 51 ILE N N 51 119.288 119.288 119.647 -0.359 25638 284 1 1 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.624 -0.175 25638 285 1 1 . 1 1 51 51 ILE C C 51 178.384 178.384 177.779 0.605 25638 286 1 1 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.703 0.064 25638 287 1 1 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.808 1.172 25638 288 1 1 . 1 1 51 51 ILE H H 51 8.107 8.107 8.242 -0.135 25638 289 1 1 . 1 1 52 52 GLY N N 52 108.211 108.211 106.702 1.509 25638 290 1 1 . 1 1 52 52 GLY C C 52 178.168 178.168 175.450 2.718 25638 291 1 1 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.667 0.397 25638 292 1 1 . 1 1 52 52 GLY H H 52 9.224 9.224 8.466 0.758 25638 293 1 1 . 1 1 53 53 ASP N N 53 124.013 124.013 123.077 0.936 25638 294 1 1 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.588 -0.054 25638 295 1 1 . 1 1 53 53 ASP C C 53 179.976 179.976 177.628 2.348 25638 296 1 1 . 1 1 53 53 ASP CA C 53 57.628 57.628 56.822 0.806 25638 297 1 1 . 1 1 53 53 ASP CB C 53 39.282 39.282 41.015 -1.733 25638 298 1 1 . 1 1 53 53 ASP H H 53 9.091 9.091 8.611 0.480 25638 299 1 1 . 1 1 54 54 HIS N N 54 121.598 121.598 120.372 1.226 25638 300 1 1 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.305 0.101 25638 301 1 1 . 1 1 54 54 HIS C C 54 178.982 178.982 177.655 1.327 25638 302 1 1 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.793 0.667 25638 303 1 1 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.876 1.691 25638 304 1 1 . 1 1 54 54 HIS H H 54 7.664 7.664 7.881 -0.217 25638 305 1 1 . 1 1 55 55 ILE N N 55 121.892 121.892 119.714 2.178 25638 306 1 1 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.402 -0.218 25638 307 1 1 . 1 1 55 55 ILE C C 55 178.188 178.188 177.662 0.526 25638 308 1 1 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.845 1.832 25638 309 1 1 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.263 -0.019 25638 310 1 1 . 1 1 55 55 ILE H H 55 8.255 8.255 8.545 -0.290 25638 311 1 1 . 1 1 56 56 THR N N 56 115.458 115.458 115.533 -0.075 25638 312 1 1 . 1 1 56 56 THR HA H 56 3.759 3.759 3.794 -0.035 25638 313 1 1 . 1 1 56 56 THR C C 56 180.195 180.195 176.408 3.787 25638 314 1 1 . 1 1 56 56 THR CA C 56 67.551 67.551 67.194 0.357 25638 315 1 1 . 1 1 56 56 THR CB C 56 68.756 68.756 68.502 0.254 25638 316 1 1 . 1 1 56 56 THR H H 56 8.047 8.047 7.696 0.351 25638 317 1 1 . 1 1 57 57 GLU N N 57 121.544 121.544 121.275 0.269 25638 318 1 1 . 1 1 57 57 GLU HA H 57 3.954 3.954 3.994 -0.040 25638 319 1 1 . 1 1 57 57 GLU C C 57 180.979 180.979 178.640 2.339 25638 320 1 1 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.087 0.292 25638 321 1 1 . 1 1 57 57 GLU CB C 57 28.740 28.740 28.933 -0.193 25638 322 1 1 . 1 1 57 57 GLU H H 57 7.591 7.591 8.301 -0.710 25638 323 1 1 . 1 1 58 58 CYS N N 58 118.970 118.970 118.369 0.601 25638 324 1 1 . 1 1 58 58 CYS HA H 58 3.940 3.940 3.895 0.045 25638 325 1 1 . 1 1 58 58 CYS C C 58 178.089 178.089 176.775 1.314 25638 326 1 1 . 1 1 58 58 CYS CA C 58 63.222 63.222 63.243 -0.021 25638 327 1 1 . 1 1 58 58 CYS CB C 58 26.562 26.562 26.619 -0.057 25638 328 1 1 . 1 1 58 58 CYS H H 58 8.206 8.206 8.202 0.004 25638 329 1 1 . 1 1 59 59 LEU N N 59 116.873 116.873 118.359 -1.486 25638 330 1 1 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.385 -0.134 25638 331 1 1 . 1 1 59 59 LEU C C 59 179.033 179.033 178.736 0.297 25638 332 1 1 . 1 1 59 59 LEU CA C 59 56.039 56.039 56.487 -0.448 25638 333 1 1 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.232 -0.195 25638 334 1 1 . 1 1 59 59 LEU H H 59 7.726 7.726 7.988 -0.262 25638 335 1 1 . 1 1 60 60 LYS N N 60 117.911 117.911 118.715 -0.804 25638 336 1 1 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.082 0.049 25638 337 1 1 . 1 1 60 60 LYS C C 60 177.912 177.912 177.248 0.664 25638 338 1 1 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.340 0.197 25638 339 1 1 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.792 0.598 25638 340 1 1 . 1 1 60 60 LYS H H 60 7.298 7.298 7.823 -0.525 25638 341 1 1 . 1 1 61 61 GLU N N 61 115.507 115.507 118.772 -3.265 25638 342 1 1 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.904 -0.015 25638 343 1 1 . 1 1 61 61 GLU C C 61 176.576 176.576 176.581 -0.005 25638 344 1 1 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.977 -0.926 25638 345 1 1 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.611 0.123 25638 346 1 1 . 1 1 61 61 GLU H H 61 7.084 7.084 7.409 -0.325 25638 347 1 1 . 1 1 62 62 TYR N N 62 118.581 118.581 117.195 1.386 25638 348 1 1 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.484 0.222 25638 349 1 1 . 1 1 62 62 TYR C C 62 175.935 175.935 176.527 -0.592 25638 350 1 1 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.947 -0.799 25638 351 1 1 . 1 1 62 62 TYR CB C 62 40.385 40.385 39.050 1.335 25638 352 1 1 . 1 1 62 62 TYR H H 62 7.387 7.387 7.012 0.375 25638 353 1 1 . 1 1 63 63 THR N N 63 109.064 109.064 111.284 -2.220 25638 354 1 1 . 1 1 63 63 THR HA H 63 4.507 4.507 4.353 0.154 25638 355 1 1 . 1 1 63 63 THR C C 63 175.888 175.888 175.028 0.860 25638 356 1 1 . 1 1 63 63 THR CA C 63 61.684 61.684 61.638 0.046 25638 357 1 1 . 1 1 63 63 THR CB C 63 70.092 70.092 69.979 0.113 25638 358 1 1 . 1 1 63 63 THR H H 63 8.471 8.471 8.240 0.231 25638 359 1 1 . 1 1 64 64 ASN N N 64 123.204 123.204 122.210 0.994 25638 360 1 1 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.923 0.248 25638 361 1 1 . 1 1 64 64 ASN C C 64 175.495 175.495 175.183 0.312 25638 362 1 1 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.336 -1.199 25638 363 1 1 . 1 1 64 64 ASN CB C 64 39.680 39.680 39.397 0.283 25638 364 1 1 . 1 1 64 64 ASN H H 64 7.993 7.993 8.255 -0.262 25638 365 1 1 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.217 0.053 25638 366 1 1 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.567 0.126 25638 367 1 1 . 1 1 65 65 PRO CB C 65 32.399 32.399 31.881 0.518 25638 368 1 1 . 1 1 66 66 GLU N N 66 118.060 118.060 118.608 -0.548 25638 369 1 1 . 1 1 66 66 GLU HA H 66 4.132 4.132 3.907 0.225 25638 370 1 1 . 1 1 66 66 GLU C C 66 180.409 180.409 178.885 1.524 25638 371 1 1 . 1 1 66 66 GLU CA C 66 59.374 59.374 60.116 -0.742 25638 372 1 1 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.421 0.382 25638 373 1 1 . 1 1 66 66 GLU H H 66 8.297 8.297 8.924 -0.627 25638 374 1 1 . 1 1 67 67 GLN N N 67 120.531 120.531 118.172 2.359 25638 375 1 1 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.954 0.213 25638 376 1 1 . 1 1 67 67 GLN C C 67 179.072 179.072 178.686 0.386 25638 377 1 1 . 1 1 67 67 GLN CA C 67 58.828 58.828 58.978 -0.151 25638 378 1 1 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.509 0.734 25638 379 1 1 . 1 1 67 67 GLN H H 67 7.738 7.738 8.207 -0.469 25638 380 1 1 . 1 1 68 68 ILE N N 68 119.632 119.632 118.143 1.489 25638 381 1 1 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.988 -0.440 25638 382 1 1 . 1 1 68 68 ILE C C 68 178.109 178.109 178.215 -0.106 25638 383 1 1 . 1 1 68 68 ILE CA C 68 66.597 66.597 64.950 1.647 25638 384 1 1 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.467 1.472 25638 385 1 1 . 1 1 68 68 ILE H H 68 7.956 7.956 8.392 -0.436 25638 386 1 1 . 1 1 69 69 LYS N N 69 117.236 117.236 119.750 -2.514 25638 387 1 1 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.030 -0.101 25638 388 1 1 . 1 1 69 69 LYS C C 69 180.271 180.271 179.290 0.981 25638 389 1 1 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.100 0.821 25638 390 1 1 . 1 1 69 69 LYS CB C 69 32.607 32.607 31.860 0.747 25638 391 1 1 . 1 1 69 69 LYS H H 69 7.665 7.665 8.352 -0.687 25638 392 1 1 . 1 1 70 70 GLN N N 70 118.748 118.748 119.987 -1.239 25638 393 1 1 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.022 -0.167 25638 394 1 1 . 1 1 70 70 GLN C C 70 179.131 179.131 178.137 0.994 25638 395 1 1 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.542 -0.290 25638 396 1 1 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.038 0.639 25638 397 1 1 . 1 1 70 70 GLN H H 70 7.787 7.787 8.111 -0.324 25638 398 1 1 . 1 1 71 71 TRP N N 71 118.896 118.896 119.640 -0.744 25638 399 1 1 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.292 -0.249 25638 400 1 1 . 1 1 71 71 TRP C C 71 178.679 178.679 178.767 -0.088 25638 401 1 1 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.118 1.831 25638 402 1 1 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.176 -0.932 25638 403 1 1 . 1 1 71 71 TRP H H 71 8.374 8.374 8.499 -0.125 25638 404 1 1 . 1 1 72 72 ARG N N 72 122.698 122.698 117.265 5.433 25638 405 1 1 . 1 1 72 72 ARG HA H 72 3.819 3.819 4.045 -0.226 25638 406 1 1 . 1 1 72 72 ARG C C 72 178.561 178.561 177.796 0.765 25638 407 1 1 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.166 1.866 25638 408 1 1 . 1 1 72 72 ARG CB C 72 30.269 30.269 29.933 0.336 25638 409 1 1 . 1 1 72 72 ARG H H 72 8.808 8.808 8.131 0.677 25638 410 1 1 . 1 1 73 73 LYS N N 73 116.946 116.946 117.217 -0.271 25638 411 1 1 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.549 -0.369 25638 412 1 1 . 1 1 73 73 LYS C C 73 179.622 179.622 177.671 1.951 25638 413 1 1 . 1 1 73 73 LYS CA C 73 59.535 59.535 58.505 1.030 25638 414 1 1 . 1 1 73 73 LYS CB C 73 31.715 31.715 33.591 -1.876 25638 415 1 1 . 1 1 73 73 LYS H H 73 7.380 7.380 7.844 -0.464 25638 416 1 1 . 1 1 74 74 ASN N N 74 116.434 116.434 120.572 -4.138 25638 417 1 1 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.534 -0.257 25638 418 1 1 . 1 1 74 74 ASN C C 74 178.148 178.148 177.631 0.517 25638 419 1 1 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.493 -0.630 25638 420 1 1 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.176 -0.142 25638 421 1 1 . 1 1 74 74 ASN H H 74 8.309 8.309 8.624 -0.315 25638 422 1 1 . 1 1 75 75 LEU N N 75 118.967 118.967 120.447 -1.480 25638 423 1 1 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.292 -0.167 25638 424 1 1 . 1 1 75 75 LEU C C 75 180.251 180.251 178.686 1.565 25638 425 1 1 . 1 1 75 75 LEU CA C 75 58.827 58.827 59.246 -0.419 25638 426 1 1 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.787 -0.803 25638 427 1 1 . 1 1 75 75 LEU H H 75 8.635 8.635 8.308 0.327 25638 428 1 1 . 1 1 76 76 TRP N N 76 118.544 118.544 119.295 -0.751 25638 429 1 1 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.263 0.316 25638 430 1 1 . 1 1 76 76 TRP C C 76 180.900 180.900 179.072 1.828 25638 431 1 1 . 1 1 76 76 TRP CA C 76 61.416 61.416 59.860 1.556 25638 432 1 1 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.491 -0.393 25638 433 1 1 . 1 1 76 76 TRP H H 76 8.006 8.006 7.694 0.312 25638 434 1 1 . 1 1 77 77 ILE N N 77 121.982 121.982 119.719 2.263 25638 435 1 1 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.681 0.150 25638 436 1 1 . 1 1 77 77 ILE C C 77 181.254 181.254 177.854 3.400 25638 437 1 1 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.568 0.473 25638 438 1 1 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.010 -0.660 25638 439 1 1 . 1 1 77 77 ILE H H 77 8.893 8.893 8.449 0.444 25638 440 1 1 . 1 1 78 78 PHE N N 78 123.458 123.458 121.032 2.426 25638 441 1 1 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.274 -0.230 25638 442 1 1 . 1 1 78 78 PHE C C 78 177.618 177.618 177.309 0.309 25638 443 1 1 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.474 1.606 25638 444 1 1 . 1 1 78 78 PHE CB C 78 38.710 38.710 38.888 -0.178 25638 445 1 1 . 1 1 78 78 PHE H H 78 8.753 8.753 8.381 0.372 25638 446 1 1 . 1 1 79 79 VAL N N 79 117.726 117.726 118.198 -0.472 25638 447 1 1 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.415 0.064 25638 448 1 1 . 1 1 79 79 VAL C C 79 178.876 178.876 178.467 0.409 25638 449 1 1 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.554 0.259 25638 450 1 1 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.543 0.029 25638 451 1 1 . 1 1 79 79 VAL H H 79 8.232 8.232 8.499 -0.267 25638 452 1 1 . 1 1 80 80 SER N N 80 114.568 114.568 115.301 -0.733 25638 453 1 1 . 1 1 80 80 SER HA H 80 4.339 4.339 4.313 0.026 25638 454 1 1 . 1 1 80 80 SER C C 80 176.261 176.261 176.581 -0.320 25638 455 1 1 . 1 1 80 80 SER CA C 80 61.337 61.337 61.049 0.288 25638 456 1 1 . 1 1 80 80 SER CB C 80 62.712 62.712 62.997 -0.285 25638 457 1 1 . 1 1 80 80 SER H H 80 8.353 8.353 8.360 -0.007 25638 458 1 1 . 1 1 81 81 LYS N N 81 121.180 121.180 120.480 0.700 25638 459 1 1 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.074 0.124 25638 460 1 1 . 1 1 81 81 LYS C C 81 178.305 178.305 177.630 0.675 25638 461 1 1 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.650 -1.546 25638 462 1 1 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.481 -1.822 25638 463 1 1 . 1 1 81 81 LYS H H 81 7.481 7.481 7.451 0.030 25638 464 1 1 . 1 1 82 82 PHE N N 82 117.950 117.950 117.267 0.683 25638 465 1 1 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.637 -0.240 25638 466 1 1 . 1 1 82 82 PHE C C 82 174.787 174.787 175.314 -0.527 25638 467 1 1 . 1 1 82 82 PHE CA C 82 58.398 58.398 58.042 0.356 25638 468 1 1 . 1 1 82 82 PHE CB C 82 38.937 38.937 38.086 0.851 25638 469 1 1 . 1 1 82 82 PHE H H 82 8.256 8.256 7.726 0.530 25638 470 1 1 . 1 1 83 83 THR N N 83 109.995 109.995 111.262 -1.267 25638 471 1 1 . 1 1 83 83 THR HA H 83 4.988 4.988 4.646 0.342 25638 472 1 1 . 1 1 83 83 THR C C 83 174.138 174.138 173.366 0.772 25638 473 1 1 . 1 1 83 83 THR CA C 83 59.609 59.609 60.238 -0.629 25638 474 1 1 . 1 1 83 83 THR CB C 83 71.080 71.080 71.275 -0.195 25638 475 1 1 . 1 1 83 83 THR H H 83 7.665 7.665 7.345 0.320 25638 476 1 1 . 1 1 84 84 GLU N N 84 119.416 119.416 121.033 -1.617 25638 477 1 1 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.175 0.220 25638 478 1 1 . 1 1 84 84 GLU C C 84 177.912 177.912 176.212 1.700 25638 479 1 1 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.719 -1.223 25638 480 1 1 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.855 -0.333 25638 481 1 1 . 1 1 84 84 GLU H H 84 8.409 8.409 8.743 -0.334 25638 482 1 1 . 1 1 85 85 PHE N N 85 120.265 120.265 120.582 -0.317 25638 483 1 1 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.550 0.341 25638 484 1 1 . 1 1 85 85 PHE C C 85 175.809 175.809 175.469 0.340 25638 485 1 1 . 1 1 85 85 PHE CA C 85 56.109 56.109 57.490 -1.381 25638 486 1 1 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.222 1.966 25638 487 1 1 . 1 1 85 85 PHE H H 85 8.210 8.210 7.376 0.834 25638 488 1 1 . 1 1 86 86 ASP N N 86 118.128 118.128 124.865 -6.737 25638 489 1 1 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.684 0.052 25638 490 1 1 . 1 1 86 86 ASP C C 86 176.986 176.986 177.360 -0.374 25638 491 1 1 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.960 -2.777 25638 492 1 1 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.359 0.173 25638 493 1 1 . 1 1 86 86 ASP H H 86 8.119 8.119 8.673 -0.554 25638 494 1 1 . 1 1 87 87 ALA N N 87 121.912 121.912 124.924 -3.012 25638 495 1 1 . 1 1 87 87 ALA HA H 87 3.989 3.989 3.947 0.042 25638 496 1 1 . 1 1 87 87 ALA C C 87 180.378 180.378 178.779 1.599 25638 497 1 1 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.092 0.983 25638 498 1 1 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.819 1.388 25638 499 1 1 . 1 1 87 87 ALA H H 87 8.757 8.757 8.511 0.246 25638 500 1 1 . 1 1 88 88 ARG N N 88 117.072 117.072 115.819 1.253 25638 501 1 1 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.053 -0.097 25638 502 1 1 . 1 1 88 88 ARG C C 88 179.975 179.975 177.515 2.460 25638 503 1 1 . 1 1 88 88 ARG CA C 88 59.252 59.252 58.416 0.836 25638 504 1 1 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.468 0.145 25638 505 1 1 . 1 1 88 88 ARG H H 88 8.147 8.147 8.461 -0.314 25638 506 1 1 . 1 1 89 89 LYS N N 89 121.809 121.809 120.513 1.296 25638 507 1 1 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.155 -0.246 25638 508 1 1 . 1 1 89 89 LYS C C 89 179.505 179.505 178.647 0.858 25638 509 1 1 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.019 0.967 25638 510 1 1 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.255 0.079 25638 511 1 1 . 1 1 89 89 LYS H H 89 8.022 8.022 7.788 0.234 25638 512 1 1 . 1 1 90 90 LEU N N 90 118.429 118.429 120.282 -1.853 25638 513 1 1 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.763 -0.019 25638 514 1 1 . 1 1 90 90 LEU C C 90 178.069 178.069 178.043 0.026 25638 515 1 1 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.277 -0.234 25638 516 1 1 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.680 0.782 25638 517 1 1 . 1 1 90 90 LEU H H 90 8.139 8.139 8.618 -0.479 25638 518 1 1 . 1 1 91 91 HIS N N 91 117.214 117.214 116.843 0.371 25638 519 1 1 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.562 0.417 25638 520 1 1 . 1 1 91 91 HIS C C 91 178.069 178.069 177.228 0.841 25638 521 1 1 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.829 -0.651 25638 522 1 1 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.400 0.028 25638 523 1 1 . 1 1 91 91 HIS H H 91 7.379 7.379 7.216 0.163 25638 524 1 1 . 1 1 92 92 LYS N N 92 118.466 118.466 119.519 -1.053 25638 525 1 1 . 1 1 92 92 LYS HA H 92 3.635 3.635 4.004 -0.369 25638 526 1 1 . 1 1 92 92 LYS C C 92 180.310 180.310 179.060 1.250 25638 527 1 1 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.191 0.733 25638 528 1 1 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.357 0.008 25638 529 1 1 . 1 1 92 92 LYS H H 92 7.599 7.599 7.515 0.084 25638 530 1 1 . 1 1 93 93 LEU N N 93 120.752 120.752 121.186 -0.434 25638 531 1 1 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.868 0.115 25638 532 1 1 . 1 1 93 93 LEU C C 93 181.269 181.269 178.504 2.765 25638 533 1 1 . 1 1 93 93 LEU CA C 93 58.000 58.000 57.641 0.359 25638 534 1 1 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.541 0.798 25638 535 1 1 . 1 1 93 93 LEU H H 93 8.351 8.351 8.359 -0.008 25638 536 1 1 . 1 1 94 94 TYR N N 94 122.311 122.311 120.325 1.986 25638 537 1 1 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.008 0.128 25638 538 1 1 . 1 1 94 94 TYR C C 94 176.789 176.789 177.352 -0.563 25638 539 1 1 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.942 -0.642 25638 540 1 1 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.338 0.240 25638 541 1 1 . 1 1 94 94 TYR H H 94 8.290 8.290 8.807 -0.517 25638 542 1 1 . 1 1 95 95 LYS N N 95 117.851 117.851 118.662 -0.811 25638 543 1 1 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.689 -0.263 25638 544 1 1 . 1 1 95 95 LYS C C 95 180.684 180.684 178.990 1.694 25638 545 1 1 . 1 1 95 95 LYS CA C 95 59.379 59.379 60.232 -0.853 25638 546 1 1 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.282 -1.034 25638 547 1 1 . 1 1 95 95 LYS H H 95 8.180 8.180 8.306 -0.126 25638 548 1 1 . 1 1 96 96 HIS N N 96 117.611 117.611 117.897 -0.286 25638 549 1 1 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.189 0.024 25638 550 1 1 . 1 1 96 96 HIS C C 96 178.266 178.266 177.552 0.714 25638 551 1 1 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.773 -0.499 25638 552 1 1 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.338 0.865 25638 553 1 1 . 1 1 96 96 HIS H H 96 8.049 8.049 8.260 -0.211 25638 554 1 1 . 1 1 97 97 ALA N N 97 122.617 122.617 122.277 0.340 25638 555 1 1 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.018 0.073 25638 556 1 1 . 1 1 97 97 ALA C C 97 181.352 181.352 179.298 2.054 25638 557 1 1 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.122 -0.477 25638 558 1 1 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.163 -0.394 25638 559 1 1 . 1 1 97 97 ALA H H 97 8.104 8.104 7.971 0.133 25638 560 1 1 . 1 1 98 98 ILE N N 98 111.626 111.626 118.876 -7.250 25638 561 1 1 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.467 0.642 25638 562 1 1 . 1 1 98 98 ILE C C 98 178.561 178.561 177.593 0.968 25638 563 1 1 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.593 -1.863 25638 564 1 1 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.963 -0.317 25638 565 1 1 . 1 1 98 98 ILE H H 98 7.636 7.636 7.794 -0.158 25638 566 1 1 . 1 1 99 99 LYS N N 99 124.158 124.158 118.694 5.464 25638 567 1 1 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.921 0.124 25638 568 1 1 . 1 1 99 99 LYS C C 99 179.111 179.111 178.981 0.130 25638 569 1 1 . 1 1 99 99 LYS CA C 99 59.070 59.070 58.580 0.490 25638 570 1 1 . 1 1 99 99 LYS CB C 99 32.172 32.172 31.777 0.395 25638 571 1 1 . 1 1 99 99 LYS H H 99 7.359 7.359 8.180 -0.821 25638 572 1 1 . 1 1 100 100 LYS N N 100 118.333 118.333 119.415 -1.082 25638 573 1 1 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.011 0.132 25638 574 1 1 . 1 1 100 100 LYS C C 100 179.111 179.111 178.961 0.150 25638 575 1 1 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.826 -1.614 25638 576 1 1 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.480 -0.738 25638 577 1 1 . 1 1 100 100 LYS H H 100 7.937 7.937 7.703 0.234 25638 578 1 1 . 1 1 101 101 ARG N N 101 121.125 121.125 117.058 4.067 25638 579 1 1 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.214 -0.085 25638 580 1 1 . 1 1 101 101 ARG C C 101 178.541 178.541 176.967 1.574 25638 581 1 1 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.544 1.622 25638 582 1 1 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.233 0.358 25638 583 1 1 . 1 1 101 101 ARG H H 101 7.895 7.895 7.980 -0.085 25638 584 1 1 . 1 1 102 102 GLN N N 102 119.756 119.756 114.551 5.205 25638 585 1 1 . 1 1 102 102 GLN HA H 102 4.207 4.207 3.886 0.321 25638 586 1 1 . 1 1 102 102 GLN C C 102 178.129 178.129 175.002 3.127 25638 587 1 1 . 1 1 102 102 GLN CA C 102 56.912 56.912 57.570 -0.658 25638 588 1 1 . 1 1 102 102 GLN CB C 102 28.921 28.921 27.433 1.488 25638 589 1 1 . 1 1 102 102 GLN H H 102 8.167 8.167 8.071 0.096 25638 590 1 1 . 1 1 103 103 GLU N N 103 120.553 120.553 118.217 2.336 25638 591 1 1 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.334 -0.134 25638 592 1 1 . 1 1 103 103 GLU C C 103 178.286 178.286 174.883 3.403 25638 593 1 1 . 1 1 103 103 GLU CA C 103 57.505 57.505 56.660 0.845 25638 594 1 1 . 1 1 103 103 GLU CB C 103 29.924 29.924 30.305 -0.381 25638 595 1 1 . 1 1 103 103 GLU H H 103 8.189 8.189 7.648 0.541 25638 596 1 1 . 1 1 104 104 SER N N 104 115.381 115.381 116.569 -1.188 25638 597 1 1 . 1 1 104 104 SER HA H 104 4.431 4.431 4.449 -0.018 25638 598 1 1 . 1 1 104 104 SER C C 104 175.750 175.750 174.160 1.590 25638 599 1 1 . 1 1 104 104 SER CA C 104 59.154 59.154 58.664 0.490 25638 600 1 1 . 1 1 104 104 SER CB C 104 63.456 63.456 64.178 -0.722 25638 601 1 1 . 1 1 104 104 SER H H 104 8.099 8.099 8.573 -0.474 25638 602 1 1 . 1 1 105 105 GLN N N 105 121.635 121.635 120.061 1.574 25638 603 1 1 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.039 0.296 25638 604 1 1 . 1 1 105 105 GLN C C 105 177.008 177.008 174.213 2.795 25638 605 1 1 . 1 1 105 105 GLN CA C 105 56.053 56.053 57.150 -1.097 25638 606 1 1 . 1 1 105 105 GLN CB C 105 29.128 29.128 28.487 0.641 25638 607 1 1 . 1 1 105 105 GLN H H 105 8.170 8.170 8.404 -0.234 25638 608 1 1 . 1 1 106 106 GLN N N 106 120.850 120.850 118.571 2.279 25638 609 1 1 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.488 -0.157 25638 610 1 1 . 1 1 106 106 GLN C C 106 176.713 176.713 174.810 1.903 25638 611 1 1 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.072 0.879 25638 612 1 1 . 1 1 106 106 GLN CB C 106 29.254 29.254 30.704 -1.450 25638 613 1 1 . 1 1 106 106 GLN H H 106 8.281 8.281 8.409 -0.128 25638 614 1 1 . 1 1 107 107 ASN N N 107 120.271 120.271 118.242 2.029 25638 615 1 1 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.440 0.350 25638 616 1 1 . 1 1 107 107 ASN C C 107 175.337 175.337 174.871 0.466 25638 617 1 1 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.569 -0.216 25638 618 1 1 . 1 1 107 107 ASN CB C 107 39.094 39.094 37.866 1.228 25638 619 1 1 . 1 1 107 107 ASN H H 107 8.434 8.434 8.847 -0.413 25638 620 1 2 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.644 -0.199 25638 621 1 2 . 1 1 2 2 PRO C C 2 178.089 178.089 176.589 1.500 25638 622 1 2 . 1 1 2 2 PRO CA C 2 63.306 63.306 63.110 0.196 25638 623 1 2 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.343 0.125 25638 624 1 2 . 1 1 3 3 LEU N N 3 122.239 122.239 117.859 4.380 25638 625 1 2 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.016 0.281 25638 626 1 2 . 1 1 3 3 LEU C C 3 178.876 178.876 175.549 3.327 25638 627 1 2 . 1 1 3 3 LEU CA C 3 55.529 55.529 55.291 0.238 25638 628 1 2 . 1 1 3 3 LEU CB C 3 42.150 42.150 40.418 1.732 25638 629 1 2 . 1 1 3 3 LEU H H 3 8.522 8.522 7.995 0.527 25638 630 1 2 . 1 1 4 4 GLY N N 4 109.572 109.572 105.780 3.792 25638 631 1 2 . 1 1 4 4 GLY C C 4 174.630 174.630 173.097 1.533 25638 632 1 2 . 1 1 4 4 GLY CA C 4 45.333 45.333 45.038 0.294 25638 633 1 2 . 1 1 4 4 GLY H H 4 8.349 8.349 7.654 0.695 25638 634 1 2 . 1 1 5 5 SER N N 5 115.481 115.481 118.896 -3.415 25638 635 1 2 . 1 1 5 5 SER HA H 5 4.513 4.513 4.606 -0.093 25638 636 1 2 . 1 1 5 5 SER C C 5 174.667 174.667 172.810 1.857 25638 637 1 2 . 1 1 5 5 SER CA C 5 57.801 57.801 58.619 -0.818 25638 638 1 2 . 1 1 5 5 SER CB C 5 64.536 64.536 63.709 0.827 25638 639 1 2 . 1 1 5 5 SER H H 5 8.119 8.119 8.507 -0.388 25638 640 1 2 . 1 1 6 6 LEU N N 6 121.895 121.895 126.004 -4.109 25638 641 1 2 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.703 -0.049 25638 642 1 2 . 1 1 6 6 LEU C C 6 177.932 177.932 175.872 2.060 25638 643 1 2 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.647 -0.725 25638 644 1 2 . 1 1 6 6 LEU CB C 6 44.606 44.606 45.355 -0.750 25638 645 1 2 . 1 1 6 6 LEU H H 6 8.319 8.319 8.031 0.288 25638 646 1 2 . 1 1 7 7 ASP N N 7 121.978 121.978 122.256 -0.278 25638 647 1 2 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.617 -0.011 25638 648 1 2 . 1 1 7 7 ASP C C 7 176.477 176.477 177.698 -1.221 25638 649 1 2 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.327 -1.109 25638 650 1 2 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.776 -1.818 25638 651 1 2 . 1 1 7 7 ASP H H 7 8.318 8.318 8.272 0.046 25638 652 1 2 . 1 1 8 8 GLN N N 8 119.885 119.885 121.471 -1.586 25638 653 1 2 . 1 1 8 8 GLN HA H 8 4.086 4.086 3.989 0.097 25638 654 1 2 . 1 1 8 8 GLN C C 8 179.710 179.710 178.153 1.557 25638 655 1 2 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.160 0.665 25638 656 1 2 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.654 -0.170 25638 657 1 2 . 1 1 8 8 GLN H H 8 8.746 8.746 8.758 -0.012 25638 658 1 2 . 1 1 9 9 LYS N N 9 120.863 120.863 119.951 0.912 25638 659 1 2 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.205 -0.008 25638 660 1 2 . 1 1 9 9 LYS C C 9 180.333 180.333 178.584 1.749 25638 661 1 2 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.733 -0.359 25638 662 1 2 . 1 1 9 9 LYS CB C 9 31.957 31.957 32.170 -0.213 25638 663 1 2 . 1 1 9 9 LYS H H 9 8.454 8.454 8.126 0.328 25638 664 1 2 . 1 1 10 10 THR N N 10 118.654 118.654 116.272 2.382 25638 665 1 2 . 1 1 10 10 THR HA H 10 3.985 3.985 4.235 -0.250 25638 666 1 2 . 1 1 10 10 THR C C 10 177.904 177.904 176.414 1.490 25638 667 1 2 . 1 1 10 10 THR CA C 10 67.618 67.618 66.849 0.769 25638 668 1 2 . 1 1 10 10 THR CB C 10 67.523 67.523 68.363 -0.840 25638 669 1 2 . 1 1 10 10 THR H H 10 8.531 8.531 7.967 0.564 25638 670 1 2 . 1 1 11 11 PHE N N 11 123.876 123.876 122.530 1.346 25638 671 1 2 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.177 -0.183 25638 672 1 2 . 1 1 11 11 PHE C C 11 177.676 177.676 177.110 0.566 25638 673 1 2 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.487 1.732 25638 674 1 2 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.129 0.217 25638 675 1 2 . 1 1 11 11 PHE H H 11 9.296 9.296 8.672 0.624 25638 676 1 2 . 1 1 12 12 SER N N 12 114.219 114.219 115.487 -1.268 25638 677 1 2 . 1 1 12 12 SER HA H 12 4.151 4.151 4.066 0.085 25638 678 1 2 . 1 1 12 12 SER C C 12 177.922 177.922 177.059 0.863 25638 679 1 2 . 1 1 12 12 SER CA C 12 62.899 62.899 62.170 0.729 25638 680 1 2 . 1 1 12 12 SER CB C 12 63.194 63.194 63.110 0.084 25638 681 1 2 . 1 1 12 12 SER H H 12 8.306 8.306 7.782 0.524 25638 682 1 2 . 1 1 13 13 ILE N N 13 123.613 123.613 121.992 1.621 25638 683 1 2 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.883 -0.046 25638 684 1 2 . 1 1 13 13 ILE C C 13 179.563 179.563 178.035 1.528 25638 685 1 2 . 1 1 13 13 ILE CA C 13 65.100 65.100 64.894 0.205 25638 686 1 2 . 1 1 13 13 ILE CB C 13 38.310 38.310 37.948 0.362 25638 687 1 2 . 1 1 13 13 ILE H H 13 7.897 7.897 8.154 -0.257 25638 688 1 2 . 1 1 14 14 CYS N N 14 118.125 118.125 118.686 -0.561 25638 689 1 2 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.571 -0.020 25638 690 1 2 . 1 1 14 14 CYS C C 14 176.010 176.010 176.346 -0.336 25638 691 1 2 . 1 1 14 14 CYS CA C 14 64.572 64.572 63.863 0.709 25638 692 1 2 . 1 1 14 14 CYS CB C 14 26.721 26.721 26.302 0.419 25638 693 1 2 . 1 1 14 14 CYS H H 14 8.329 8.329 8.073 0.256 25638 694 1 2 . 1 1 15 15 LYS N N 15 118.532 118.532 118.562 -0.030 25638 695 1 2 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.710 -0.561 25638 696 1 2 . 1 1 15 15 LYS C C 15 179.846 179.846 177.911 1.935 25638 697 1 2 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.142 0.590 25638 698 1 2 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.953 0.139 25638 699 1 2 . 1 1 15 15 LYS H H 15 8.025 8.025 6.945 1.080 25638 700 1 2 . 1 1 16 16 GLU N N 16 118.138 118.138 117.276 0.862 25638 701 1 2 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.017 0.010 25638 702 1 2 . 1 1 16 16 GLU C C 16 180.959 180.959 179.055 1.904 25638 703 1 2 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.375 0.767 25638 704 1 2 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.656 -0.543 25638 705 1 2 . 1 1 16 16 GLU H H 16 7.403 7.403 7.356 0.047 25638 706 1 2 . 1 1 17 17 ARG N N 17 117.969 117.969 118.378 -0.409 25638 707 1 2 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.008 0.055 25638 708 1 2 . 1 1 17 17 ARG C C 17 179.544 179.544 178.577 0.967 25638 709 1 2 . 1 1 17 17 ARG CA C 17 58.155 58.155 58.086 0.069 25638 710 1 2 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.388 -0.421 25638 711 1 2 . 1 1 17 17 ARG H H 17 8.325 8.325 7.857 0.468 25638 712 1 2 . 1 1 18 18 MET N N 18 113.332 113.332 119.431 -6.099 25638 713 1 2 . 1 1 18 18 MET HA H 18 4.561 4.561 4.396 0.165 25638 714 1 2 . 1 1 18 18 MET C C 18 176.890 176.890 175.616 1.274 25638 715 1 2 . 1 1 18 18 MET CA C 18 53.377 53.377 54.316 -0.939 25638 716 1 2 . 1 1 18 18 MET CB C 18 29.724 29.724 30.138 -0.414 25638 717 1 2 . 1 1 18 18 MET H H 18 7.718 7.718 8.018 -0.300 25638 718 1 2 . 1 1 19 19 ARG N N 19 123.288 123.288 120.884 2.404 25638 719 1 2 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.521 -0.370 25638 720 1 2 . 1 1 19 19 ARG C C 19 176.556 176.556 176.779 -0.223 25638 721 1 2 . 1 1 19 19 ARG CA C 19 61.133 61.133 59.208 1.925 25638 722 1 2 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.167 0.091 25638 723 1 2 . 1 1 19 19 ARG H H 19 7.152 7.152 7.946 -0.794 25638 724 1 2 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.272 0.071 25638 725 1 2 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.314 0.683 25638 726 1 2 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.166 0.674 25638 727 1 2 . 1 1 21 21 VAL N N 21 105.802 105.802 112.196 -6.394 25638 728 1 2 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.038 0.783 25638 729 1 2 . 1 1 21 21 VAL C C 21 176.261 176.261 176.959 -0.698 25638 730 1 2 . 1 1 21 21 VAL CA C 21 59.103 59.103 61.489 -2.385 25638 731 1 2 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.783 0.073 25638 732 1 2 . 1 1 21 21 VAL H H 21 7.352 7.352 7.658 -0.306 25638 733 1 2 . 1 1 22 22 LYS N N 22 122.802 122.802 121.803 0.999 25638 734 1 2 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.798 -0.034 25638 735 1 2 . 1 1 22 22 LYS C C 22 178.758 178.758 178.164 0.594 25638 736 1 2 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.234 0.098 25638 737 1 2 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.119 0.095 25638 738 1 2 . 1 1 22 22 LYS H H 22 7.640 7.640 7.624 0.016 25638 739 1 2 . 1 1 23 23 ALA N N 23 120.067 120.067 120.258 -0.191 25638 740 1 2 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.119 -0.044 25638 741 1 2 . 1 1 23 23 ALA C C 23 180.998 180.998 179.520 1.478 25638 742 1 2 . 1 1 23 23 ALA CA C 23 55.159 55.159 54.861 0.298 25638 743 1 2 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.949 -0.035 25638 744 1 2 . 1 1 23 23 ALA H H 23 8.571 8.571 8.410 0.161 25638 745 1 2 . 1 1 24 24 ALA N N 24 121.068 121.068 122.284 -1.216 25638 746 1 2 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.271 -0.109 25638 747 1 2 . 1 1 24 24 ALA C C 24 180.271 180.271 179.857 0.414 25638 748 1 2 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.429 0.327 25638 749 1 2 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.249 -0.056 25638 750 1 2 . 1 1 24 24 ALA H H 24 7.320 7.320 7.498 -0.178 25638 751 1 2 . 1 1 25 25 LEU N N 25 117.214 117.214 119.293 -2.079 25638 752 1 2 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.793 -0.083 25638 753 1 2 . 1 1 25 25 LEU C C 25 179.524 179.524 179.665 -0.141 25638 754 1 2 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.404 -0.453 25638 755 1 2 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.449 -0.819 25638 756 1 2 . 1 1 25 25 LEU H H 25 7.698 7.698 8.069 -0.371 25638 757 1 2 . 1 1 26 26 LYS N N 26 116.336 116.336 118.883 -2.547 25638 758 1 2 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.005 0.158 25638 759 1 2 . 1 1 26 26 LYS C C 26 179.308 179.308 178.985 0.323 25638 760 1 2 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.907 -1.493 25638 761 1 2 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.346 -0.180 25638 762 1 2 . 1 1 26 26 LYS H H 26 7.675 7.675 7.979 -0.304 25638 763 1 2 . 1 1 27 27 GLN N N 27 116.118 116.118 118.654 -2.536 25638 764 1 2 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.080 0.195 25638 765 1 2 . 1 1 27 27 GLN C C 27 178.679 178.679 178.063 0.616 25638 766 1 2 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.661 -1.854 25638 767 1 2 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.563 1.457 25638 768 1 2 . 1 1 27 27 GLN H H 27 7.520 7.520 8.121 -0.601 25638 769 1 2 . 1 1 28 28 LEU N N 28 121.335 121.335 116.967 4.368 25638 770 1 2 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.307 -0.154 25638 771 1 2 . 1 1 28 28 LEU C C 28 178.168 178.168 177.191 0.977 25638 772 1 2 . 1 1 28 28 LEU CA C 28 58.042 58.042 55.458 2.584 25638 773 1 2 . 1 1 28 28 LEU CB C 28 41.911 41.911 41.139 0.772 25638 774 1 2 . 1 1 28 28 LEU H H 28 7.506 7.506 7.643 -0.137 25638 775 1 2 . 1 1 29 29 ASP N N 29 117.486 117.486 119.999 -2.513 25638 776 1 2 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.757 0.157 25638 777 1 2 . 1 1 29 29 ASP C C 29 176.772 176.772 175.750 1.022 25638 778 1 2 . 1 1 29 29 ASP CA C 29 54.126 54.126 55.563 -1.437 25638 779 1 2 . 1 1 29 29 ASP CB C 29 42.715 42.715 43.636 -0.921 25638 780 1 2 . 1 1 29 29 ASP H H 29 8.120 8.120 7.998 0.122 25638 781 1 2 . 1 1 30 30 ARG N N 30 119.107 119.107 121.077 -1.970 25638 782 1 2 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.814 -0.053 25638 783 1 2 . 1 1 30 30 ARG C C 30 173.824 173.824 174.033 -0.209 25638 784 1 2 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.065 0.166 25638 785 1 2 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.869 -0.558 25638 786 1 2 . 1 1 30 30 ARG H H 30 7.701 7.701 8.512 -0.811 25638 787 1 2 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.600 -0.334 25638 788 1 2 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.250 0.695 25638 789 1 2 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.861 -0.847 25638 790 1 2 . 1 1 32 32 GLU N N 32 122.391 122.391 120.056 2.335 25638 791 1 2 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.014 0.174 25638 792 1 2 . 1 1 32 32 GLU C C 32 177.401 177.401 176.384 1.017 25638 793 1 2 . 1 1 32 32 GLU CA C 32 56.389 56.389 57.785 -1.396 25638 794 1 2 . 1 1 32 32 GLU CB C 32 30.188 30.188 29.682 0.506 25638 795 1 2 . 1 1 32 32 GLU H H 32 8.454 8.454 8.542 -0.088 25638 796 1 2 . 1 1 33 33 LYS N N 33 123.127 123.127 117.722 5.405 25638 797 1 2 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.234 -0.058 25638 798 1 2 . 1 1 33 33 LYS C C 33 178.482 178.482 175.152 3.330 25638 799 1 2 . 1 1 33 33 LYS CA C 33 57.127 57.127 57.225 -0.098 25638 800 1 2 . 1 1 33 33 LYS CB C 33 32.640 32.640 31.139 1.501 25638 801 1 2 . 1 1 33 33 LYS H H 33 8.338 8.338 8.095 0.243 25638 802 1 2 . 1 1 34 34 GLY N N 34 109.507 109.507 106.956 2.551 25638 803 1 2 . 1 1 34 34 GLY C C 34 175.475 175.475 173.320 2.155 25638 804 1 2 . 1 1 34 34 GLY CA C 34 45.318 45.318 44.968 0.350 25638 805 1 2 . 1 1 34 34 GLY H H 34 8.643 8.643 8.336 0.307 25638 806 1 2 . 1 1 35 35 LEU N N 35 120.392 120.392 120.500 -0.108 25638 807 1 2 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.592 -0.077 25638 808 1 2 . 1 1 35 35 LEU C C 35 178.797 178.797 176.457 2.340 25638 809 1 2 . 1 1 35 35 LEU CA C 35 54.449 54.449 52.528 1.921 25638 810 1 2 . 1 1 35 35 LEU CB C 35 43.116 43.116 44.103 -0.987 25638 811 1 2 . 1 1 35 35 LEU H H 35 7.480 7.480 7.377 0.103 25638 812 1 2 . 1 1 36 36 SER N N 36 118.629 118.629 115.407 3.222 25638 813 1 2 . 1 1 36 36 SER HA H 36 4.471 4.471 4.574 -0.103 25638 814 1 2 . 1 1 36 36 SER C C 36 175.632 175.632 175.421 0.211 25638 815 1 2 . 1 1 36 36 SER CA C 36 57.814 57.814 57.610 0.204 25638 816 1 2 . 1 1 36 36 SER CB C 36 64.678 64.678 64.847 -0.169 25638 817 1 2 . 1 1 36 36 SER H H 36 8.838 8.838 8.084 0.754 25638 818 1 2 . 1 1 37 37 GLU N N 37 122.722 122.722 121.932 0.790 25638 819 1 2 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.074 -0.060 25638 820 1 2 . 1 1 37 37 GLU C C 37 179.976 179.976 178.855 1.121 25638 821 1 2 . 1 1 37 37 GLU CA C 37 60.578 60.578 60.014 0.564 25638 822 1 2 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.522 -0.173 25638 823 1 2 . 1 1 37 37 GLU H H 37 9.018 9.018 8.973 0.045 25638 824 1 2 . 1 1 38 38 ARG N N 38 118.418 118.418 119.770 -1.352 25638 825 1 2 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.099 0.014 25638 826 1 2 . 1 1 38 38 ARG C C 38 180.212 180.212 178.451 1.761 25638 827 1 2 . 1 1 38 38 ARG CA C 38 59.448 59.448 59.023 0.425 25638 828 1 2 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.169 -0.362 25638 829 1 2 . 1 1 38 38 ARG H H 38 8.509 8.509 7.732 0.777 25638 830 1 2 . 1 1 39 39 GLU N N 39 119.730 119.730 119.800 -0.070 25638 831 1 2 . 1 1 39 39 GLU HA H 39 4.090 4.090 3.990 0.100 25638 832 1 2 . 1 1 39 39 GLU C C 39 180.529 180.529 179.233 1.296 25638 833 1 2 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.657 -0.764 25638 834 1 2 . 1 1 39 39 GLU CB C 39 30.557 30.557 29.131 1.426 25638 835 1 2 . 1 1 39 39 GLU H H 39 7.761 7.761 7.767 -0.006 25638 836 1 2 . 1 1 40 40 GLN N N 40 121.665 121.665 118.421 3.244 25638 837 1 2 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.083 -0.039 25638 838 1 2 . 1 1 40 40 GLN C C 40 179.760 179.760 178.597 1.163 25638 839 1 2 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.755 0.614 25638 840 1 2 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.421 0.067 25638 841 1 2 . 1 1 40 40 GLN H H 40 8.871 8.871 8.256 0.615 25638 842 1 2 . 1 1 41 41 LEU N N 41 121.002 121.002 120.837 0.165 25638 843 1 2 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.052 0.175 25638 844 1 2 . 1 1 41 41 LEU C C 41 180.841 180.841 179.195 1.646 25638 845 1 2 . 1 1 41 41 LEU CA C 41 58.290 58.290 57.988 0.302 25638 846 1 2 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.352 0.249 25638 847 1 2 . 1 1 41 41 LEU H H 41 8.140 8.140 7.638 0.502 25638 848 1 2 . 1 1 42 42 GLU N N 42 119.818 119.818 118.612 1.206 25638 849 1 2 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.957 0.277 25638 850 1 2 . 1 1 42 42 GLU C C 42 179.603 179.603 178.759 0.844 25638 851 1 2 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.578 -0.668 25638 852 1 2 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.623 -0.657 25638 853 1 2 . 1 1 42 42 GLU H H 42 7.894 7.894 8.405 -0.511 25638 854 1 2 . 1 1 43 43 HIS N N 43 119.964 119.964 119.010 0.954 25638 855 1 2 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.263 0.158 25638 856 1 2 . 1 1 43 43 HIS C C 43 179.140 179.140 177.487 1.653 25638 857 1 2 . 1 1 43 43 HIS CA C 43 59.813 59.813 59.802 0.011 25638 858 1 2 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.238 -0.794 25638 859 1 2 . 1 1 43 43 HIS H H 43 8.437 8.437 8.731 -0.294 25638 860 1 2 . 1 1 44 44 THR N N 44 117.768 117.768 115.386 2.382 25638 861 1 2 . 1 1 44 44 THR HA H 44 3.884 3.884 4.032 -0.148 25638 862 1 2 . 1 1 44 44 THR C C 44 179.008 179.008 176.810 2.198 25638 863 1 2 . 1 1 44 44 THR CA C 44 67.603 67.603 67.386 0.217 25638 864 1 2 . 1 1 44 44 THR CB C 44 68.981 68.981 68.302 0.679 25638 865 1 2 . 1 1 44 44 THR H H 44 8.589 8.589 8.280 0.309 25638 866 1 2 . 1 1 45 45 ARG N N 45 121.750 121.750 121.765 -0.015 25638 867 1 2 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.040 -0.161 25638 868 1 2 . 1 1 45 45 ARG C C 45 178.817 178.817 178.804 0.013 25638 869 1 2 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.905 0.954 25638 870 1 2 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.657 1.059 25638 871 1 2 . 1 1 45 45 ARG H H 45 8.255 8.255 7.597 0.658 25638 872 1 2 . 1 1 46 46 GLN N N 46 116.576 116.576 118.984 -2.408 25638 873 1 2 . 1 1 46 46 GLN HA H 46 4.024 4.024 3.999 0.025 25638 874 1 2 . 1 1 46 46 GLN C C 46 181.018 181.018 178.641 2.377 25638 875 1 2 . 1 1 46 46 GLN CA C 46 59.575 59.575 59.118 0.457 25638 876 1 2 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.568 -0.813 25638 877 1 2 . 1 1 46 46 GLN H H 46 8.328 8.328 8.262 0.066 25638 878 1 2 . 1 1 47 47 CYS N N 47 118.569 118.569 118.033 0.536 25638 879 1 2 . 1 1 47 47 CYS HA H 47 4.083 4.083 3.987 0.096 25638 880 1 2 . 1 1 47 47 CYS C C 47 177.244 177.244 177.122 0.122 25638 881 1 2 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.567 -0.463 25638 882 1 2 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.337 -0.274 25638 883 1 2 . 1 1 47 47 CYS H H 47 8.029 8.029 8.522 -0.493 25638 884 1 2 . 1 1 48 48 LEU N N 48 119.873 119.873 121.249 -1.376 25638 885 1 2 . 1 1 48 48 LEU HA H 48 4.069 4.069 3.918 0.151 25638 886 1 2 . 1 1 48 48 LEU C C 48 179.839 179.839 179.068 0.771 25638 887 1 2 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.509 -0.196 25638 888 1 2 . 1 1 48 48 LEU CB C 48 42.225 42.225 42.101 0.124 25638 889 1 2 . 1 1 48 48 LEU H H 48 8.539 8.539 8.362 0.177 25638 890 1 2 . 1 1 49 49 ILE N N 49 119.523 119.523 116.199 3.324 25638 891 1 2 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.001 -0.031 25638 892 1 2 . 1 1 49 49 ILE C C 49 178.188 178.188 177.791 0.397 25638 893 1 2 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.203 1.008 25638 894 1 2 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.513 0.482 25638 895 1 2 . 1 1 49 49 ILE H H 49 8.516 8.516 8.179 0.337 25638 896 1 2 . 1 1 50 50 LYS N N 50 118.622 118.622 120.617 -1.995 25638 897 1 2 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.116 0.077 25638 898 1 2 . 1 1 50 50 LYS C C 50 181.391 181.391 179.248 2.143 25638 899 1 2 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.871 -0.324 25638 900 1 2 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.097 0.492 25638 901 1 2 . 1 1 50 50 LYS H H 50 7.522 7.522 7.461 0.061 25638 902 1 2 . 1 1 51 51 ILE N N 51 119.288 119.288 119.614 -0.326 25638 903 1 2 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.523 -0.074 25638 904 1 2 . 1 1 51 51 ILE C C 51 178.384 178.384 177.788 0.596 25638 905 1 2 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.543 0.224 25638 906 1 2 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.754 1.226 25638 907 1 2 . 1 1 51 51 ILE H H 51 8.107 8.107 8.120 -0.013 25638 908 1 2 . 1 1 52 52 GLY N N 52 108.211 108.211 106.682 1.529 25638 909 1 2 . 1 1 52 52 GLY C C 52 178.168 178.168 175.219 2.949 25638 910 1 2 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.450 0.614 25638 911 1 2 . 1 1 52 52 GLY H H 52 9.224 9.224 8.016 1.208 25638 912 1 2 . 1 1 53 53 ASP N N 53 124.013 124.013 122.851 1.162 25638 913 1 2 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.500 0.034 25638 914 1 2 . 1 1 53 53 ASP C C 53 179.976 179.976 178.214 1.762 25638 915 1 2 . 1 1 53 53 ASP CA C 53 57.628 57.628 56.903 0.725 25638 916 1 2 . 1 1 53 53 ASP CB C 53 39.282 39.282 41.047 -1.765 25638 917 1 2 . 1 1 53 53 ASP H H 53 9.091 9.091 7.994 1.097 25638 918 1 2 . 1 1 54 54 HIS N N 54 121.598 121.598 119.361 2.237 25638 919 1 2 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.288 0.118 25638 920 1 2 . 1 1 54 54 HIS C C 54 178.982 178.982 177.863 1.119 25638 921 1 2 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.819 0.641 25638 922 1 2 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.586 1.981 25638 923 1 2 . 1 1 54 54 HIS H H 54 7.664 7.664 8.084 -0.420 25638 924 1 2 . 1 1 55 55 ILE N N 55 121.892 121.892 120.261 1.631 25638 925 1 2 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.416 -0.232 25638 926 1 2 . 1 1 55 55 ILE C C 55 178.188 178.188 177.604 0.584 25638 927 1 2 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.485 2.192 25638 928 1 2 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.371 -0.127 25638 929 1 2 . 1 1 55 55 ILE H H 55 8.255 8.255 8.321 -0.066 25638 930 1 2 . 1 1 56 56 THR N N 56 115.458 115.458 116.000 -0.542 25638 931 1 2 . 1 1 56 56 THR HA H 56 3.759 3.759 3.879 -0.120 25638 932 1 2 . 1 1 56 56 THR C C 56 180.195 180.195 177.079 3.116 25638 933 1 2 . 1 1 56 56 THR CA C 56 67.551 67.551 67.022 0.529 25638 934 1 2 . 1 1 56 56 THR CB C 56 68.756 68.756 68.322 0.434 25638 935 1 2 . 1 1 56 56 THR H H 56 8.047 8.047 7.758 0.289 25638 936 1 2 . 1 1 57 57 GLU N N 57 121.544 121.544 120.607 0.937 25638 937 1 2 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.029 -0.075 25638 938 1 2 . 1 1 57 57 GLU C C 57 180.979 180.979 178.353 2.626 25638 939 1 2 . 1 1 57 57 GLU CA C 57 59.379 59.379 58.825 0.554 25638 940 1 2 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.336 -0.596 25638 941 1 2 . 1 1 57 57 GLU H H 57 7.591 7.591 8.268 -0.677 25638 942 1 2 . 1 1 58 58 CYS N N 58 118.970 118.970 117.444 1.526 25638 943 1 2 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.043 -0.103 25638 944 1 2 . 1 1 58 58 CYS C C 58 178.089 178.089 177.141 0.948 25638 945 1 2 . 1 1 58 58 CYS CA C 58 63.222 63.222 63.132 0.090 25638 946 1 2 . 1 1 58 58 CYS CB C 58 26.562 26.562 27.838 -1.276 25638 947 1 2 . 1 1 58 58 CYS H H 58 8.206 8.206 7.704 0.502 25638 948 1 2 . 1 1 59 59 LEU N N 59 116.873 116.873 120.188 -3.315 25638 949 1 2 . 1 1 59 59 LEU HA H 59 4.251 4.251 3.969 0.282 25638 950 1 2 . 1 1 59 59 LEU C C 59 179.033 179.033 178.874 0.159 25638 951 1 2 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.329 -1.290 25638 952 1 2 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.525 -0.488 25638 953 1 2 . 1 1 59 59 LEU H H 59 7.726 7.726 8.153 -0.427 25638 954 1 2 . 1 1 60 60 LYS N N 60 117.911 117.911 118.157 -0.246 25638 955 1 2 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.027 0.104 25638 956 1 2 . 1 1 60 60 LYS C C 60 177.912 177.912 177.357 0.555 25638 957 1 2 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.566 -0.029 25638 958 1 2 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.874 0.516 25638 959 1 2 . 1 1 60 60 LYS H H 60 7.298 7.298 7.822 -0.524 25638 960 1 2 . 1 1 61 61 GLU N N 61 115.507 115.507 117.475 -1.968 25638 961 1 2 . 1 1 61 61 GLU HA H 61 3.889 3.889 4.004 -0.115 25638 962 1 2 . 1 1 61 61 GLU C C 61 176.576 176.576 176.959 -0.383 25638 963 1 2 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.655 -0.604 25638 964 1 2 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.892 -0.158 25638 965 1 2 . 1 1 61 61 GLU H H 61 7.084 7.084 7.432 -0.348 25638 966 1 2 . 1 1 62 62 TYR N N 62 118.581 118.581 117.119 1.462 25638 967 1 2 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.620 0.086 25638 968 1 2 . 1 1 62 62 TYR C C 62 175.935 175.935 175.935 0.000 25638 969 1 2 . 1 1 62 62 TYR CA C 62 57.147 57.147 58.072 -0.924 25638 970 1 2 . 1 1 62 62 TYR CB C 62 40.385 40.385 39.176 1.209 25638 971 1 2 . 1 1 62 62 TYR H H 62 7.387 7.387 7.279 0.108 25638 972 1 2 . 1 1 63 63 THR N N 63 109.064 109.064 115.450 -6.386 25638 973 1 2 . 1 1 63 63 THR HA H 63 4.507 4.507 4.448 0.059 25638 974 1 2 . 1 1 63 63 THR C C 63 175.888 175.888 175.259 0.629 25638 975 1 2 . 1 1 63 63 THR CA C 63 61.684 61.684 62.114 -0.430 25638 976 1 2 . 1 1 63 63 THR CB C 63 70.092 70.092 69.675 0.417 25638 977 1 2 . 1 1 63 63 THR H H 63 8.471 8.471 8.661 -0.190 25638 978 1 2 . 1 1 64 64 ASN N N 64 123.204 123.204 121.628 1.576 25638 979 1 2 . 1 1 64 64 ASN HA H 64 5.171 5.171 5.088 0.083 25638 980 1 2 . 1 1 64 64 ASN C C 64 175.495 175.495 174.835 0.660 25638 981 1 2 . 1 1 64 64 ASN CA C 64 51.137 51.137 51.611 -0.474 25638 982 1 2 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.986 0.694 25638 983 1 2 . 1 1 64 64 ASN H H 64 7.993 7.993 7.824 0.169 25638 984 1 2 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.242 0.028 25638 985 1 2 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.868 -0.176 25638 986 1 2 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.065 0.334 25638 987 1 2 . 1 1 66 66 GLU N N 66 118.060 118.060 118.895 -0.835 25638 988 1 2 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.068 0.064 25638 989 1 2 . 1 1 66 66 GLU C C 66 180.409 180.409 179.146 1.263 25638 990 1 2 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.935 -0.561 25638 991 1 2 . 1 1 66 66 GLU CB C 66 28.803 28.803 29.045 -0.242 25638 992 1 2 . 1 1 66 66 GLU H H 66 8.297 8.297 8.799 -0.502 25638 993 1 2 . 1 1 67 67 GLN N N 67 120.531 120.531 118.779 1.752 25638 994 1 2 . 1 1 67 67 GLN HA H 67 4.167 4.167 4.001 0.166 25638 995 1 2 . 1 1 67 67 GLN C C 67 179.072 179.072 178.593 0.479 25638 996 1 2 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.138 -0.310 25638 997 1 2 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.456 0.787 25638 998 1 2 . 1 1 67 67 GLN H H 67 7.738 7.738 8.194 -0.456 25638 999 1 2 . 1 1 68 68 ILE N N 68 119.632 119.632 117.996 1.636 25638 1000 1 2 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.990 -0.442 25638 1001 1 2 . 1 1 68 68 ILE C C 68 178.109 178.109 178.182 -0.073 25638 1002 1 2 . 1 1 68 68 ILE CA C 68 66.597 66.597 64.495 2.102 25638 1003 1 2 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.291 1.648 25638 1004 1 2 . 1 1 68 68 ILE H H 68 7.956 7.956 8.041 -0.085 25638 1005 1 2 . 1 1 69 69 LYS N N 69 117.236 117.236 120.164 -2.928 25638 1006 1 2 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.974 -0.045 25638 1007 1 2 . 1 1 69 69 LYS C C 69 180.271 180.271 179.023 1.248 25638 1008 1 2 . 1 1 69 69 LYS CA C 69 59.921 59.921 60.022 -0.101 25638 1009 1 2 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.055 0.552 25638 1010 1 2 . 1 1 69 69 LYS H H 69 7.665 7.665 8.276 -0.611 25638 1011 1 2 . 1 1 70 70 GLN N N 70 118.748 118.748 119.670 -0.922 25638 1012 1 2 . 1 1 70 70 GLN HA H 70 3.855 3.855 3.949 -0.094 25638 1013 1 2 . 1 1 70 70 GLN C C 70 179.131 179.131 178.052 1.079 25638 1014 1 2 . 1 1 70 70 GLN CA C 70 58.252 58.252 59.191 -0.939 25638 1015 1 2 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.676 0.001 25638 1016 1 2 . 1 1 70 70 GLN H H 70 7.787 7.787 8.081 -0.294 25638 1017 1 2 . 1 1 71 71 TRP N N 71 118.896 118.896 119.247 -0.351 25638 1018 1 2 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.336 -0.293 25638 1019 1 2 . 1 1 71 71 TRP C C 71 178.679 178.679 178.769 -0.090 25638 1020 1 2 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.400 1.549 25638 1021 1 2 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.394 -1.150 25638 1022 1 2 . 1 1 71 71 TRP H H 71 8.374 8.374 8.551 -0.177 25638 1023 1 2 . 1 1 72 72 ARG N N 72 122.698 122.698 119.629 3.069 25638 1024 1 2 . 1 1 72 72 ARG HA H 72 3.819 3.819 4.008 -0.189 25638 1025 1 2 . 1 1 72 72 ARG C C 72 178.561 178.561 178.427 0.134 25638 1026 1 2 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.981 1.051 25638 1027 1 2 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.108 0.161 25638 1028 1 2 . 1 1 72 72 ARG H H 72 8.808 8.808 8.345 0.463 25638 1029 1 2 . 1 1 73 73 LYS N N 73 116.946 116.946 118.879 -1.933 25638 1030 1 2 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.155 0.025 25638 1031 1 2 . 1 1 73 73 LYS C C 73 179.622 179.622 179.206 0.416 25638 1032 1 2 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.896 -0.361 25638 1033 1 2 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.156 -0.441 25638 1034 1 2 . 1 1 73 73 LYS H H 73 7.380 7.380 7.701 -0.321 25638 1035 1 2 . 1 1 74 74 ASN N N 74 116.434 116.434 118.847 -2.413 25638 1036 1 2 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.606 -0.329 25638 1037 1 2 . 1 1 74 74 ASN C C 74 178.148 178.148 178.069 0.079 25638 1038 1 2 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.154 -0.291 25638 1039 1 2 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.231 -0.197 25638 1040 1 2 . 1 1 74 74 ASN H H 74 8.309 8.309 8.306 0.003 25638 1041 1 2 . 1 1 75 75 LEU N N 75 118.967 118.967 120.651 -1.684 25638 1042 1 2 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.091 0.034 25638 1043 1 2 . 1 1 75 75 LEU C C 75 180.251 180.251 178.595 1.656 25638 1044 1 2 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.278 0.549 25638 1045 1 2 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.514 -0.530 25638 1046 1 2 . 1 1 75 75 LEU H H 75 8.635 8.635 8.488 0.147 25638 1047 1 2 . 1 1 76 76 TRP N N 76 118.544 118.544 119.604 -1.060 25638 1048 1 2 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.262 0.317 25638 1049 1 2 . 1 1 76 76 TRP C C 76 180.900 180.900 179.004 1.896 25638 1050 1 2 . 1 1 76 76 TRP CA C 76 61.416 61.416 61.194 0.222 25638 1051 1 2 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.533 -0.435 25638 1052 1 2 . 1 1 76 76 TRP H H 76 8.006 8.006 7.501 0.505 25638 1053 1 2 . 1 1 77 77 ILE N N 77 121.982 121.982 118.712 3.270 25638 1054 1 2 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.773 0.058 25638 1055 1 2 . 1 1 77 77 ILE C C 77 181.254 181.254 178.053 3.201 25638 1056 1 2 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.150 0.891 25638 1057 1 2 . 1 1 77 77 ILE CB C 77 37.350 37.350 37.996 -0.646 25638 1058 1 2 . 1 1 77 77 ILE H H 77 8.893 8.893 8.765 0.128 25638 1059 1 2 . 1 1 78 78 PHE N N 78 123.458 123.458 121.223 2.235 25638 1060 1 2 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.288 -0.244 25638 1061 1 2 . 1 1 78 78 PHE C C 78 177.618 177.618 176.823 0.795 25638 1062 1 2 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.688 1.392 25638 1063 1 2 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.318 -0.608 25638 1064 1 2 . 1 1 78 78 PHE H H 78 8.753 8.753 8.172 0.581 25638 1065 1 2 . 1 1 79 79 VAL N N 79 117.726 117.726 117.215 0.511 25638 1066 1 2 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.384 0.095 25638 1067 1 2 . 1 1 79 79 VAL C C 79 178.876 178.876 178.605 0.271 25638 1068 1 2 . 1 1 79 79 VAL CA C 79 66.813 66.813 65.323 1.490 25638 1069 1 2 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.033 0.539 25638 1070 1 2 . 1 1 79 79 VAL H H 79 8.232 8.232 8.066 0.166 25638 1071 1 2 . 1 1 80 80 SER N N 80 114.568 114.568 117.081 -2.513 25638 1072 1 2 . 1 1 80 80 SER HA H 80 4.339 4.339 4.483 -0.144 25638 1073 1 2 . 1 1 80 80 SER C C 80 176.261 176.261 176.598 -0.337 25638 1074 1 2 . 1 1 80 80 SER CA C 80 61.337 61.337 62.101 -0.764 25638 1075 1 2 . 1 1 80 80 SER CB C 80 62.712 62.712 63.115 -0.403 25638 1076 1 2 . 1 1 80 80 SER H H 80 8.353 8.353 8.689 -0.336 25638 1077 1 2 . 1 1 81 81 LYS N N 81 121.180 121.180 118.363 2.817 25638 1078 1 2 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.375 -0.177 25638 1079 1 2 . 1 1 81 81 LYS C C 81 178.305 178.305 177.872 0.433 25638 1080 1 2 . 1 1 81 81 LYS CA C 81 57.104 57.104 57.559 -0.455 25638 1081 1 2 . 1 1 81 81 LYS CB C 81 30.659 30.659 31.211 -0.552 25638 1082 1 2 . 1 1 81 81 LYS H H 81 7.481 7.481 7.577 -0.096 25638 1083 1 2 . 1 1 82 82 PHE N N 82 117.950 117.950 118.212 -0.262 25638 1084 1 2 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.318 0.079 25638 1085 1 2 . 1 1 82 82 PHE C C 82 174.787 174.787 176.645 -1.858 25638 1086 1 2 . 1 1 82 82 PHE CA C 82 58.398 58.398 60.602 -2.204 25638 1087 1 2 . 1 1 82 82 PHE CB C 82 38.937 38.937 39.106 -0.169 25638 1088 1 2 . 1 1 82 82 PHE H H 82 8.256 8.256 8.043 0.213 25638 1089 1 2 . 1 1 83 83 THR N N 83 109.995 109.995 111.939 -1.944 25638 1090 1 2 . 1 1 83 83 THR HA H 83 4.988 4.988 4.490 0.498 25638 1091 1 2 . 1 1 83 83 THR C C 83 174.138 174.138 174.886 -0.748 25638 1092 1 2 . 1 1 83 83 THR CA C 83 59.609 59.609 59.830 -0.221 25638 1093 1 2 . 1 1 83 83 THR CB C 83 71.080 71.080 71.397 -0.317 25638 1094 1 2 . 1 1 83 83 THR H H 83 7.665 7.665 7.481 0.184 25638 1095 1 2 . 1 1 84 84 GLU N N 84 119.416 119.416 120.640 -1.224 25638 1096 1 2 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.180 0.215 25638 1097 1 2 . 1 1 84 84 GLU C C 84 177.912 177.912 176.697 1.215 25638 1098 1 2 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.662 -1.166 25638 1099 1 2 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.755 -0.233 25638 1100 1 2 . 1 1 84 84 GLU H H 84 8.409 8.409 8.756 -0.347 25638 1101 1 2 . 1 1 85 85 PHE N N 85 120.265 120.265 120.192 0.073 25638 1102 1 2 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.621 0.270 25638 1103 1 2 . 1 1 85 85 PHE C C 85 175.809 175.809 174.699 1.110 25638 1104 1 2 . 1 1 85 85 PHE CA C 85 56.109 56.109 56.125 -0.016 25638 1105 1 2 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.102 2.086 25638 1106 1 2 . 1 1 85 85 PHE H H 85 8.210 8.210 7.351 0.859 25638 1107 1 2 . 1 1 86 86 ASP N N 86 118.128 118.128 124.578 -6.450 25638 1108 1 2 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.612 0.124 25638 1109 1 2 . 1 1 86 86 ASP C C 86 176.986 176.986 177.368 -0.382 25638 1110 1 2 . 1 1 86 86 ASP CA C 86 53.183 53.183 54.556 -1.373 25638 1111 1 2 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.998 -0.465 25638 1112 1 2 . 1 1 86 86 ASP H H 86 8.119 8.119 8.464 -0.345 25638 1113 1 2 . 1 1 87 87 ALA N N 87 121.912 121.912 126.621 -4.709 25638 1114 1 2 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.004 -0.015 25638 1115 1 2 . 1 1 87 87 ALA C C 87 180.378 180.378 179.819 0.559 25638 1116 1 2 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.140 0.935 25638 1117 1 2 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.797 1.410 25638 1118 1 2 . 1 1 87 87 ALA H H 87 8.757 8.757 8.491 0.266 25638 1119 1 2 . 1 1 88 88 ARG N N 88 117.072 117.072 117.627 -0.555 25638 1120 1 2 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.076 -0.120 25638 1121 1 2 . 1 1 88 88 ARG C C 88 179.975 179.975 179.313 0.662 25638 1122 1 2 . 1 1 88 88 ARG CA C 88 59.252 59.252 58.803 0.449 25638 1123 1 2 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.717 -0.104 25638 1124 1 2 . 1 1 88 88 ARG H H 88 8.147 8.147 8.783 -0.636 25638 1125 1 2 . 1 1 89 89 LYS N N 89 121.809 121.809 120.940 0.869 25638 1126 1 2 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.014 -0.105 25638 1127 1 2 . 1 1 89 89 LYS C C 89 179.505 179.505 178.539 0.966 25638 1128 1 2 . 1 1 89 89 LYS CA C 89 58.986 58.986 59.395 -0.409 25638 1129 1 2 . 1 1 89 89 LYS CB C 89 32.334 32.334 31.980 0.354 25638 1130 1 2 . 1 1 89 89 LYS H H 89 8.022 8.022 7.913 0.109 25638 1131 1 2 . 1 1 90 90 LEU N N 90 118.429 118.429 120.368 -1.939 25638 1132 1 2 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.749 -0.005 25638 1133 1 2 . 1 1 90 90 LEU C C 90 178.069 178.069 177.871 0.198 25638 1134 1 2 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.460 -0.417 25638 1135 1 2 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.895 0.567 25638 1136 1 2 . 1 1 90 90 LEU H H 90 8.139 8.139 8.596 -0.457 25638 1137 1 2 . 1 1 91 91 HIS N N 91 117.214 117.214 115.592 1.622 25638 1138 1 2 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.262 0.717 25638 1139 1 2 . 1 1 91 91 HIS C C 91 178.069 178.069 176.835 1.234 25638 1140 1 2 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.960 -0.782 25638 1141 1 2 . 1 1 91 91 HIS CB C 91 29.428 29.428 28.658 0.770 25638 1142 1 2 . 1 1 91 91 HIS H H 91 7.379 7.379 7.859 -0.480 25638 1143 1 2 . 1 1 92 92 LYS N N 92 118.466 118.466 120.029 -1.563 25638 1144 1 2 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.330 0.305 25638 1145 1 2 . 1 1 92 92 LYS C C 92 180.310 180.310 178.383 1.927 25638 1146 1 2 . 1 1 92 92 LYS CA C 92 59.924 59.924 58.200 1.724 25638 1147 1 2 . 1 1 92 92 LYS CB C 92 32.365 32.365 31.652 0.713 25638 1148 1 2 . 1 1 92 92 LYS H H 92 7.599 7.599 7.093 0.506 25638 1149 1 2 . 1 1 93 93 LEU N N 93 120.752 120.752 121.819 -1.067 25638 1150 1 2 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.861 0.122 25638 1151 1 2 . 1 1 93 93 LEU C C 93 181.269 181.269 178.981 2.288 25638 1152 1 2 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.982 -0.982 25638 1153 1 2 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.345 0.994 25638 1154 1 2 . 1 1 93 93 LEU H H 93 8.351 8.351 8.336 0.015 25638 1155 1 2 . 1 1 94 94 TYR N N 94 122.311 122.311 119.480 2.831 25638 1156 1 2 . 1 1 94 94 TYR HA H 94 4.136 4.136 3.971 0.165 25638 1157 1 2 . 1 1 94 94 TYR C C 94 176.789 176.789 177.412 -0.623 25638 1158 1 2 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.712 -0.412 25638 1159 1 2 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.452 0.126 25638 1160 1 2 . 1 1 94 94 TYR H H 94 8.290 8.290 8.413 -0.123 25638 1161 1 2 . 1 1 95 95 LYS N N 95 117.851 117.851 118.951 -1.100 25638 1162 1 2 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.537 -0.111 25638 1163 1 2 . 1 1 95 95 LYS C C 95 180.684 180.684 178.839 1.845 25638 1164 1 2 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.622 -0.243 25638 1165 1 2 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.166 -0.918 25638 1166 1 2 . 1 1 95 95 LYS H H 95 8.180 8.180 8.014 0.166 25638 1167 1 2 . 1 1 96 96 HIS N N 96 117.611 117.611 116.984 0.627 25638 1168 1 2 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.273 -0.060 25638 1169 1 2 . 1 1 96 96 HIS C C 96 178.266 178.266 177.500 0.766 25638 1170 1 2 . 1 1 96 96 HIS CA C 96 59.274 59.274 58.692 0.582 25638 1171 1 2 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.338 0.865 25638 1172 1 2 . 1 1 96 96 HIS H H 96 8.049 8.049 8.213 -0.164 25638 1173 1 2 . 1 1 97 97 ALA N N 97 122.617 122.617 122.777 -0.160 25638 1174 1 2 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.061 0.030 25638 1175 1 2 . 1 1 97 97 ALA C C 97 181.352 181.352 179.746 1.606 25638 1176 1 2 . 1 1 97 97 ALA CA C 97 54.645 54.645 54.934 -0.289 25638 1177 1 2 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.308 -0.539 25638 1178 1 2 . 1 1 97 97 ALA H H 97 8.104 8.104 7.944 0.160 25638 1179 1 2 . 1 1 98 98 ILE N N 98 111.626 111.626 118.853 -7.227 25638 1180 1 2 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.632 0.477 25638 1181 1 2 . 1 1 98 98 ILE C C 98 178.561 178.561 177.386 1.175 25638 1182 1 2 . 1 1 98 98 ILE CA C 98 62.730 62.730 62.970 -0.240 25638 1183 1 2 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.799 -0.153 25638 1184 1 2 . 1 1 98 98 ILE H H 98 7.636 7.636 8.017 -0.381 25638 1185 1 2 . 1 1 99 99 LYS N N 99 124.158 124.158 119.652 4.506 25638 1186 1 2 . 1 1 99 99 LYS HA H 99 4.045 4.045 4.053 -0.008 25638 1187 1 2 . 1 1 99 99 LYS C C 99 179.111 179.111 178.655 0.456 25638 1188 1 2 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.091 -0.021 25638 1189 1 2 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.117 0.055 25638 1190 1 2 . 1 1 99 99 LYS H H 99 7.359 7.359 7.975 -0.616 25638 1191 1 2 . 1 1 100 100 LYS N N 100 118.333 118.333 117.373 0.960 25638 1192 1 2 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.029 0.114 25638 1193 1 2 . 1 1 100 100 LYS C C 100 179.111 179.111 178.023 1.088 25638 1194 1 2 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.754 -1.542 25638 1195 1 2 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.533 -0.791 25638 1196 1 2 . 1 1 100 100 LYS H H 100 7.937 7.937 8.007 -0.070 25638 1197 1 2 . 1 1 101 101 ARG N N 101 121.125 121.125 114.800 6.325 25638 1198 1 2 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.427 -0.298 25638 1199 1 2 . 1 1 101 101 ARG C C 101 178.541 178.541 176.914 1.627 25638 1200 1 2 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.323 1.843 25638 1201 1 2 . 1 1 101 101 ARG CB C 101 30.591 30.591 31.715 -1.124 25638 1202 1 2 . 1 1 101 101 ARG H H 101 7.895 7.895 7.601 0.294 25638 1203 1 2 . 1 1 102 102 GLN N N 102 119.756 119.756 119.858 -0.102 25638 1204 1 2 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.440 -0.233 25638 1205 1 2 . 1 1 102 102 GLN C C 102 178.129 178.129 174.737 3.392 25638 1206 1 2 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.697 1.215 25638 1207 1 2 . 1 1 102 102 GLN CB C 102 28.921 28.921 30.078 -1.157 25638 1208 1 2 . 1 1 102 102 GLN H H 102 8.167 8.167 8.077 0.090 25638 1209 1 2 . 1 1 103 103 GLU N N 103 120.553 120.553 122.956 -2.403 25638 1210 1 2 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.338 -0.138 25638 1211 1 2 . 1 1 103 103 GLU C C 103 178.286 178.286 176.368 1.918 25638 1212 1 2 . 1 1 103 103 GLU CA C 103 57.505 57.505 56.633 0.872 25638 1213 1 2 . 1 1 103 103 GLU CB C 103 29.924 29.924 30.328 -0.404 25638 1214 1 2 . 1 1 103 103 GLU H H 103 8.189 8.189 8.449 -0.260 25638 1215 1 2 . 1 1 104 104 SER N N 104 115.381 115.381 114.073 1.308 25638 1216 1 2 . 1 1 104 104 SER HA H 104 4.431 4.431 4.740 -0.309 25638 1217 1 2 . 1 1 104 104 SER C C 104 175.750 175.750 174.131 1.619 25638 1218 1 2 . 1 1 104 104 SER CA C 104 59.154 59.154 57.425 1.729 25638 1219 1 2 . 1 1 104 104 SER CB C 104 63.456 63.456 64.060 -0.604 25638 1220 1 2 . 1 1 104 104 SER H H 104 8.099 8.099 8.426 -0.327 25638 1221 1 2 . 1 1 105 105 GLN N N 105 121.635 121.635 120.211 1.424 25638 1222 1 2 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.433 -0.098 25638 1223 1 2 . 1 1 105 105 GLN C C 105 177.008 177.008 176.030 0.978 25638 1224 1 2 . 1 1 105 105 GLN CA C 105 56.053 56.053 56.407 -0.354 25638 1225 1 2 . 1 1 105 105 GLN CB C 105 29.128 29.128 29.416 -0.288 25638 1226 1 2 . 1 1 105 105 GLN H H 105 8.170 8.170 8.707 -0.537 25638 1227 1 2 . 1 1 106 106 GLN N N 106 120.850 120.850 118.103 2.747 25638 1228 1 2 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.111 0.220 25638 1229 1 2 . 1 1 106 106 GLN C C 106 176.713 176.713 174.736 1.977 25638 1230 1 2 . 1 1 106 106 GLN CA C 106 55.951 55.951 57.357 -1.406 25638 1231 1 2 . 1 1 106 106 GLN CB C 106 29.254 29.254 27.213 2.041 25638 1232 1 2 . 1 1 106 106 GLN H H 106 8.281 8.281 8.471 -0.190 25638 1233 1 2 . 1 1 107 107 ASN N N 107 120.271 120.271 118.192 2.079 25638 1234 1 2 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.873 -0.083 25638 1235 1 2 . 1 1 107 107 ASN C C 107 175.337 175.337 174.676 0.661 25638 1236 1 2 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.001 0.352 25638 1237 1 2 . 1 1 107 107 ASN CB C 107 39.094 39.094 39.170 -0.076 25638 1238 1 2 . 1 1 107 107 ASN H H 107 8.434 8.434 8.610 -0.176 25638 1239 1 3 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.445 -0.000 25638 1240 1 3 . 1 1 2 2 PRO C C 2 178.089 178.089 176.516 1.573 25638 1241 1 3 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.918 0.388 25638 1242 1 3 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.344 0.124 25638 1243 1 3 . 1 1 3 3 LEU N N 3 122.239 122.239 116.528 5.711 25638 1244 1 3 . 1 1 3 3 LEU HA H 3 4.297 4.297 3.834 0.463 25638 1245 1 3 . 1 1 3 3 LEU C C 3 178.876 178.876 177.369 1.507 25638 1246 1 3 . 1 1 3 3 LEU CA C 3 55.529 55.529 56.114 -0.584 25638 1247 1 3 . 1 1 3 3 LEU CB C 3 42.150 42.150 40.531 1.619 25638 1248 1 3 . 1 1 3 3 LEU H H 3 8.522 8.522 7.576 0.946 25638 1249 1 3 . 1 1 4 4 GLY N N 4 109.572 109.572 104.856 4.716 25638 1250 1 3 . 1 1 4 4 GLY C C 4 174.630 174.630 174.091 0.539 25638 1251 1 3 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.715 0.618 25638 1252 1 3 . 1 1 4 4 GLY H H 4 8.349 8.349 8.345 0.004 25638 1253 1 3 . 1 1 5 5 SER N N 5 115.481 115.481 116.930 -1.449 25638 1254 1 3 . 1 1 5 5 SER HA H 5 4.513 4.513 4.499 0.014 25638 1255 1 3 . 1 1 5 5 SER C C 5 174.667 174.667 174.043 0.624 25638 1256 1 3 . 1 1 5 5 SER CA C 5 57.801 57.801 58.205 -0.404 25638 1257 1 3 . 1 1 5 5 SER CB C 5 64.536 64.536 63.745 0.791 25638 1258 1 3 . 1 1 5 5 SER H H 5 8.119 8.119 7.981 0.138 25638 1259 1 3 . 1 1 6 6 LEU N N 6 121.895 121.895 126.332 -4.437 25638 1260 1 3 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.520 0.134 25638 1261 1 3 . 1 1 6 6 LEU C C 6 177.932 177.932 176.307 1.625 25638 1262 1 3 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.135 -0.213 25638 1263 1 3 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.654 1.952 25638 1264 1 3 . 1 1 6 6 LEU H H 6 8.319 8.319 8.517 -0.198 25638 1265 1 3 . 1 1 7 7 ASP N N 7 121.978 121.978 124.734 -2.756 25638 1266 1 3 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.749 -0.143 25638 1267 1 3 . 1 1 7 7 ASP C C 7 176.477 176.477 176.983 -0.506 25638 1268 1 3 . 1 1 7 7 ASP CA C 7 53.218 53.218 53.111 0.107 25638 1269 1 3 . 1 1 7 7 ASP CB C 7 40.958 40.958 43.705 -2.747 25638 1270 1 3 . 1 1 7 7 ASP H H 7 8.318 8.318 8.236 0.082 25638 1271 1 3 . 1 1 8 8 GLN N N 8 119.885 119.885 119.487 0.398 25638 1272 1 3 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.058 0.028 25638 1273 1 3 . 1 1 8 8 GLN C C 8 179.710 179.710 178.085 1.625 25638 1274 1 3 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.456 0.369 25638 1275 1 3 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.744 -0.260 25638 1276 1 3 . 1 1 8 8 GLN H H 8 8.746 8.746 8.710 0.036 25638 1277 1 3 . 1 1 9 9 LYS N N 9 120.863 120.863 118.810 2.053 25638 1278 1 3 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.250 -0.053 25638 1279 1 3 . 1 1 9 9 LYS C C 9 180.333 180.333 178.373 1.960 25638 1280 1 3 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.694 -0.320 25638 1281 1 3 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.727 0.230 25638 1282 1 3 . 1 1 9 9 LYS H H 9 8.454 8.454 8.393 0.061 25638 1283 1 3 . 1 1 10 10 THR N N 10 118.654 118.654 116.874 1.780 25638 1284 1 3 . 1 1 10 10 THR HA H 10 3.985 3.985 4.258 -0.273 25638 1285 1 3 . 1 1 10 10 THR C C 10 177.904 177.904 176.707 1.197 25638 1286 1 3 . 1 1 10 10 THR CA C 10 67.618 67.618 65.840 1.778 25638 1287 1 3 . 1 1 10 10 THR CB C 10 67.523 67.523 68.324 -0.801 25638 1288 1 3 . 1 1 10 10 THR H H 10 8.531 8.531 8.035 0.496 25638 1289 1 3 . 1 1 11 11 PHE N N 11 123.876 123.876 122.319 1.557 25638 1290 1 3 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.342 -0.348 25638 1291 1 3 . 1 1 11 11 PHE C C 11 177.676 177.676 177.661 0.015 25638 1292 1 3 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.670 1.549 25638 1293 1 3 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.139 0.207 25638 1294 1 3 . 1 1 11 11 PHE H H 11 9.296 9.296 9.058 0.238 25638 1295 1 3 . 1 1 12 12 SER N N 12 114.219 114.219 115.772 -1.553 25638 1296 1 3 . 1 1 12 12 SER HA H 12 4.151 4.151 4.142 0.009 25638 1297 1 3 . 1 1 12 12 SER C C 12 177.922 177.922 176.751 1.171 25638 1298 1 3 . 1 1 12 12 SER CA C 12 62.899 62.899 61.685 1.214 25638 1299 1 3 . 1 1 12 12 SER CB C 12 63.194 63.194 63.003 0.191 25638 1300 1 3 . 1 1 12 12 SER H H 12 8.306 8.306 7.792 0.514 25638 1301 1 3 . 1 1 13 13 ILE N N 13 123.613 123.613 121.769 1.844 25638 1302 1 3 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.726 0.111 25638 1303 1 3 . 1 1 13 13 ILE C C 13 179.563 179.563 177.827 1.736 25638 1304 1 3 . 1 1 13 13 ILE CA C 13 65.100 65.100 63.146 1.954 25638 1305 1 3 . 1 1 13 13 ILE CB C 13 38.310 38.310 36.402 1.908 25638 1306 1 3 . 1 1 13 13 ILE H H 13 7.897 7.897 8.132 -0.235 25638 1307 1 3 . 1 1 14 14 CYS N N 14 118.125 118.125 117.505 0.620 25638 1308 1 3 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.755 -0.204 25638 1309 1 3 . 1 1 14 14 CYS C C 14 176.010 176.010 176.188 -0.178 25638 1310 1 3 . 1 1 14 14 CYS CA C 14 64.572 64.572 61.581 2.991 25638 1311 1 3 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.785 0.936 25638 1312 1 3 . 1 1 14 14 CYS H H 14 8.329 8.329 7.993 0.336 25638 1313 1 3 . 1 1 15 15 LYS N N 15 118.532 118.532 120.756 -2.224 25638 1314 1 3 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.616 -0.467 25638 1315 1 3 . 1 1 15 15 LYS C C 15 179.846 179.846 178.648 1.198 25638 1316 1 3 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.415 0.317 25638 1317 1 3 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.038 0.054 25638 1318 1 3 . 1 1 15 15 LYS H H 15 8.025 8.025 7.262 0.763 25638 1319 1 3 . 1 1 16 16 GLU N N 16 118.138 118.138 117.784 0.354 25638 1320 1 3 . 1 1 16 16 GLU HA H 16 4.027 4.027 3.968 0.059 25638 1321 1 3 . 1 1 16 16 GLU C C 16 180.959 180.959 179.252 1.707 25638 1322 1 3 . 1 1 16 16 GLU CA C 16 59.142 59.142 59.002 0.140 25638 1323 1 3 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.624 -0.511 25638 1324 1 3 . 1 1 16 16 GLU H H 16 7.403 7.403 7.941 -0.538 25638 1325 1 3 . 1 1 17 17 ARG N N 17 117.969 117.969 118.482 -0.513 25638 1326 1 3 . 1 1 17 17 ARG HA H 17 4.063 4.063 3.983 0.080 25638 1327 1 3 . 1 1 17 17 ARG C C 17 179.544 179.544 178.782 0.762 25638 1328 1 3 . 1 1 17 17 ARG CA C 17 58.155 58.155 58.468 -0.313 25638 1329 1 3 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.074 -0.107 25638 1330 1 3 . 1 1 17 17 ARG H H 17 8.325 8.325 7.932 0.393 25638 1331 1 3 . 1 1 18 18 MET N N 18 113.332 113.332 117.363 -4.031 25638 1332 1 3 . 1 1 18 18 MET HA H 18 4.561 4.561 4.272 0.289 25638 1333 1 3 . 1 1 18 18 MET C C 18 176.890 176.890 175.986 0.904 25638 1334 1 3 . 1 1 18 18 MET CA C 18 53.377 53.377 54.903 -1.526 25638 1335 1 3 . 1 1 18 18 MET CB C 18 29.724 29.724 31.615 -1.891 25638 1336 1 3 . 1 1 18 18 MET H H 18 7.718 7.718 7.973 -0.255 25638 1337 1 3 . 1 1 19 19 ARG N N 19 123.288 123.288 119.914 3.374 25638 1338 1 3 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.061 0.090 25638 1339 1 3 . 1 1 19 19 ARG C C 19 176.556 176.556 176.491 0.065 25638 1340 1 3 . 1 1 19 19 ARG CA C 19 61.133 61.133 60.836 0.297 25638 1341 1 3 . 1 1 19 19 ARG CB C 19 28.258 28.258 27.567 0.691 25638 1342 1 3 . 1 1 19 19 ARG H H 19 7.152 7.152 7.465 -0.313 25638 1343 1 3 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.181 0.162 25638 1344 1 3 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.182 0.815 25638 1345 1 3 . 1 1 20 20 PRO CB C 20 31.840 31.840 30.853 0.987 25638 1346 1 3 . 1 1 21 21 VAL N N 21 105.802 105.802 110.594 -4.792 25638 1347 1 3 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.299 0.522 25638 1348 1 3 . 1 1 21 21 VAL C C 21 176.261 176.261 176.446 -0.185 25638 1349 1 3 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.052 -0.949 25638 1350 1 3 . 1 1 21 21 VAL CB C 21 30.856 30.856 31.128 -0.272 25638 1351 1 3 . 1 1 21 21 VAL H H 21 7.352 7.352 7.559 -0.207 25638 1352 1 3 . 1 1 22 22 LYS N N 22 122.802 122.802 122.446 0.356 25638 1353 1 3 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.737 0.027 25638 1354 1 3 . 1 1 22 22 LYS C C 22 178.758 178.758 178.384 0.374 25638 1355 1 3 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.723 -0.391 25638 1356 1 3 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.062 0.152 25638 1357 1 3 . 1 1 22 22 LYS H H 22 7.640 7.640 7.819 -0.179 25638 1358 1 3 . 1 1 23 23 ALA N N 23 120.067 120.067 120.961 -0.894 25638 1359 1 3 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.020 0.055 25638 1360 1 3 . 1 1 23 23 ALA C C 23 180.998 180.998 179.211 1.787 25638 1361 1 3 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.093 0.066 25638 1362 1 3 . 1 1 23 23 ALA CB C 23 17.914 17.914 18.096 -0.182 25638 1363 1 3 . 1 1 23 23 ALA H H 23 8.571 8.571 8.519 0.052 25638 1364 1 3 . 1 1 24 24 ALA N N 24 121.068 121.068 121.533 -0.465 25638 1365 1 3 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.123 0.039 25638 1366 1 3 . 1 1 24 24 ALA C C 24 180.271 180.271 179.321 0.950 25638 1367 1 3 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.448 0.308 25638 1368 1 3 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.273 -0.080 25638 1369 1 3 . 1 1 24 24 ALA H H 24 7.320 7.320 7.386 -0.066 25638 1370 1 3 . 1 1 25 25 LEU N N 25 117.214 117.214 119.188 -1.974 25638 1371 1 3 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.890 -0.179 25638 1372 1 3 . 1 1 25 25 LEU C C 25 179.524 179.524 179.010 0.514 25638 1373 1 3 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.374 -0.423 25638 1374 1 3 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.728 -1.098 25638 1375 1 3 . 1 1 25 25 LEU H H 25 7.698 7.698 8.267 -0.569 25638 1376 1 3 . 1 1 26 26 LYS N N 26 116.336 116.336 118.674 -2.338 25638 1377 1 3 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.281 -0.118 25638 1378 1 3 . 1 1 26 26 LYS C C 26 179.308 179.308 179.312 -0.004 25638 1379 1 3 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.445 -1.031 25638 1380 1 3 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.518 -0.352 25638 1381 1 3 . 1 1 26 26 LYS H H 26 7.675 7.675 7.896 -0.221 25638 1382 1 3 . 1 1 27 27 GLN N N 27 116.118 116.118 117.082 -0.964 25638 1383 1 3 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.162 0.113 25638 1384 1 3 . 1 1 27 27 GLN C C 27 178.679 178.679 177.719 0.960 25638 1385 1 3 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.114 -1.307 25638 1386 1 3 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.583 1.437 25638 1387 1 3 . 1 1 27 27 GLN H H 27 7.520 7.520 8.136 -0.616 25638 1388 1 3 . 1 1 28 28 LEU N N 28 121.335 121.335 118.381 2.954 25638 1389 1 3 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.440 -0.287 25638 1390 1 3 . 1 1 28 28 LEU C C 28 178.168 178.168 178.806 -0.638 25638 1391 1 3 . 1 1 28 28 LEU CA C 28 58.042 58.042 55.982 2.060 25638 1392 1 3 . 1 1 28 28 LEU CB C 28 41.911 41.911 42.245 -0.334 25638 1393 1 3 . 1 1 28 28 LEU H H 28 7.506 7.506 7.487 0.019 25638 1394 1 3 . 1 1 29 29 ASP N N 29 117.486 117.486 120.700 -3.214 25638 1395 1 3 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.496 0.418 25638 1396 1 3 . 1 1 29 29 ASP C C 29 176.772 176.772 176.704 0.068 25638 1397 1 3 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.734 -2.608 25638 1398 1 3 . 1 1 29 29 ASP CB C 29 42.715 42.715 41.803 0.912 25638 1399 1 3 . 1 1 29 29 ASP H H 29 8.120 8.120 7.952 0.168 25638 1400 1 3 . 1 1 30 30 ARG N N 30 119.107 119.107 118.305 0.802 25638 1401 1 3 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.892 -0.131 25638 1402 1 3 . 1 1 30 30 ARG C C 30 173.824 173.824 173.554 0.270 25638 1403 1 3 . 1 1 30 30 ARG CA C 30 53.231 53.231 52.941 0.291 25638 1404 1 3 . 1 1 30 30 ARG CB C 30 31.311 31.311 32.667 -1.356 25638 1405 1 3 . 1 1 30 30 ARG H H 30 7.701 7.701 8.173 -0.472 25638 1406 1 3 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.454 -0.188 25638 1407 1 3 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.668 0.277 25638 1408 1 3 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.241 -0.227 25638 1409 1 3 . 1 1 32 32 GLU N N 32 122.391 122.391 121.606 0.785 25638 1410 1 3 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.558 -0.370 25638 1411 1 3 . 1 1 32 32 GLU C C 32 177.401 177.401 175.220 2.181 25638 1412 1 3 . 1 1 32 32 GLU CA C 32 56.389 56.389 55.749 0.640 25638 1413 1 3 . 1 1 32 32 GLU CB C 32 30.188 30.188 31.944 -1.756 25638 1414 1 3 . 1 1 32 32 GLU H H 32 8.454 8.454 8.537 -0.083 25638 1415 1 3 . 1 1 33 33 LYS N N 33 123.127 123.127 124.310 -1.183 25638 1416 1 3 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.634 -0.458 25638 1417 1 3 . 1 1 33 33 LYS C C 33 178.482 178.482 177.021 1.461 25638 1418 1 3 . 1 1 33 33 LYS CA C 33 57.127 57.127 55.765 1.362 25638 1419 1 3 . 1 1 33 33 LYS CB C 33 32.640 32.640 32.772 -0.132 25638 1420 1 3 . 1 1 33 33 LYS H H 33 8.338 8.338 8.456 -0.118 25638 1421 1 3 . 1 1 34 34 GLY N N 34 109.507 109.507 108.462 1.045 25638 1422 1 3 . 1 1 34 34 GLY C C 34 175.475 175.475 175.182 0.293 25638 1423 1 3 . 1 1 34 34 GLY CA C 34 45.318 45.318 46.200 -0.882 25638 1424 1 3 . 1 1 34 34 GLY H H 34 8.643 8.643 8.482 0.161 25638 1425 1 3 . 1 1 35 35 LEU N N 35 120.392 120.392 120.796 -0.404 25638 1426 1 3 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.435 0.080 25638 1427 1 3 . 1 1 35 35 LEU C C 35 178.797 178.797 177.329 1.468 25638 1428 1 3 . 1 1 35 35 LEU CA C 35 54.449 54.449 55.785 -1.336 25638 1429 1 3 . 1 1 35 35 LEU CB C 35 43.116 43.116 42.267 0.849 25638 1430 1 3 . 1 1 35 35 LEU H H 35 7.480 7.480 7.777 -0.297 25638 1431 1 3 . 1 1 36 36 SER N N 36 118.629 118.629 109.577 9.052 25638 1432 1 3 . 1 1 36 36 SER HA H 36 4.471 4.471 4.496 -0.025 25638 1433 1 3 . 1 1 36 36 SER C C 36 175.632 175.632 174.028 1.604 25638 1434 1 3 . 1 1 36 36 SER CA C 36 57.814 57.814 57.460 0.354 25638 1435 1 3 . 1 1 36 36 SER CB C 36 64.678 64.678 63.573 1.105 25638 1436 1 3 . 1 1 36 36 SER H H 36 8.838 8.838 7.611 1.227 25638 1437 1 3 . 1 1 37 37 GLU N N 37 122.722 122.722 121.479 1.243 25638 1438 1 3 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.101 -0.087 25638 1439 1 3 . 1 1 37 37 GLU C C 37 179.976 179.976 178.457 1.519 25638 1440 1 3 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.626 0.952 25638 1441 1 3 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.783 -0.434 25638 1442 1 3 . 1 1 37 37 GLU H H 37 9.018 9.018 8.917 0.101 25638 1443 1 3 . 1 1 38 38 ARG N N 38 118.418 118.418 119.531 -1.113 25638 1444 1 3 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.190 -0.077 25638 1445 1 3 . 1 1 38 38 ARG C C 38 180.212 180.212 178.539 1.673 25638 1446 1 3 . 1 1 38 38 ARG CA C 38 59.448 59.448 59.243 0.205 25638 1447 1 3 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.025 -0.218 25638 1448 1 3 . 1 1 38 38 ARG H H 38 8.509 8.509 8.252 0.257 25638 1449 1 3 . 1 1 39 39 GLU N N 39 119.730 119.730 118.909 0.821 25638 1450 1 3 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.097 -0.007 25638 1451 1 3 . 1 1 39 39 GLU C C 39 180.529 180.529 179.290 1.239 25638 1452 1 3 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.357 -0.464 25638 1453 1 3 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.856 1.701 25638 1454 1 3 . 1 1 39 39 GLU H H 39 7.761 7.761 8.505 -0.744 25638 1455 1 3 . 1 1 40 40 GLN N N 40 121.665 121.665 118.827 2.838 25638 1456 1 3 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.080 -0.036 25638 1457 1 3 . 1 1 40 40 GLN C C 40 179.760 179.760 178.385 1.375 25638 1458 1 3 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.528 0.842 25638 1459 1 3 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.287 0.201 25638 1460 1 3 . 1 1 40 40 GLN H H 40 8.871 8.871 8.288 0.583 25638 1461 1 3 . 1 1 41 41 LEU N N 41 121.002 121.002 120.438 0.564 25638 1462 1 3 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.120 0.107 25638 1463 1 3 . 1 1 41 41 LEU C C 41 180.841 180.841 179.335 1.506 25638 1464 1 3 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.466 -0.176 25638 1465 1 3 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.265 0.336 25638 1466 1 3 . 1 1 41 41 LEU H H 41 8.140 8.140 7.627 0.513 25638 1467 1 3 . 1 1 42 42 GLU N N 42 119.818 119.818 118.174 1.644 25638 1468 1 3 . 1 1 42 42 GLU HA H 42 4.234 4.234 4.034 0.200 25638 1469 1 3 . 1 1 42 42 GLU C C 42 179.603 179.603 178.919 0.684 25638 1470 1 3 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.257 -0.347 25638 1471 1 3 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.517 -0.550 25638 1472 1 3 . 1 1 42 42 GLU H H 42 7.894 7.894 7.926 -0.032 25638 1473 1 3 . 1 1 43 43 HIS N N 43 119.964 119.964 120.060 -0.096 25638 1474 1 3 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.305 0.116 25638 1475 1 3 . 1 1 43 43 HIS C C 43 179.140 179.140 177.614 1.526 25638 1476 1 3 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.639 -0.826 25638 1477 1 3 . 1 1 43 43 HIS CB C 43 29.444 29.444 29.874 -0.430 25638 1478 1 3 . 1 1 43 43 HIS H H 43 8.437 8.437 8.395 0.042 25638 1479 1 3 . 1 1 44 44 THR N N 44 117.768 117.768 116.946 0.822 25638 1480 1 3 . 1 1 44 44 THR HA H 44 3.884 3.884 4.030 -0.146 25638 1481 1 3 . 1 1 44 44 THR C C 44 179.008 179.008 176.624 2.384 25638 1482 1 3 . 1 1 44 44 THR CA C 44 67.603 67.603 67.472 0.131 25638 1483 1 3 . 1 1 44 44 THR CB C 44 68.981 68.981 68.324 0.657 25638 1484 1 3 . 1 1 44 44 THR H H 44 8.589 8.589 8.813 -0.224 25638 1485 1 3 . 1 1 45 45 ARG N N 45 121.750 121.750 121.626 0.124 25638 1486 1 3 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.088 -0.209 25638 1487 1 3 . 1 1 45 45 ARG C C 45 178.817 178.817 178.943 -0.126 25638 1488 1 3 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.739 1.120 25638 1489 1 3 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.596 1.120 25638 1490 1 3 . 1 1 45 45 ARG H H 45 8.255 8.255 7.570 0.685 25638 1491 1 3 . 1 1 46 46 GLN N N 46 116.576 116.576 119.099 -2.523 25638 1492 1 3 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.059 -0.035 25638 1493 1 3 . 1 1 46 46 GLN C C 46 181.018 181.018 178.411 2.607 25638 1494 1 3 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.804 0.771 25638 1495 1 3 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.267 -0.513 25638 1496 1 3 . 1 1 46 46 GLN H H 46 8.328 8.328 8.329 -0.001 25638 1497 1 3 . 1 1 47 47 CYS N N 47 118.569 118.569 119.075 -0.506 25638 1498 1 3 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.072 0.011 25638 1499 1 3 . 1 1 47 47 CYS C C 47 177.244 177.244 177.190 0.054 25638 1500 1 3 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.156 0.948 25638 1501 1 3 . 1 1 47 47 CYS CB C 47 27.063 27.063 26.420 0.643 25638 1502 1 3 . 1 1 47 47 CYS H H 47 8.029 8.029 8.507 -0.478 25638 1503 1 3 . 1 1 48 48 LEU N N 48 119.873 119.873 122.672 -2.799 25638 1504 1 3 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.077 -0.008 25638 1505 1 3 . 1 1 48 48 LEU C C 48 179.839 179.839 178.772 1.067 25638 1506 1 3 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.454 -0.141 25638 1507 1 3 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.749 0.476 25638 1508 1 3 . 1 1 48 48 LEU H H 48 8.539 8.539 8.595 -0.057 25638 1509 1 3 . 1 1 49 49 ILE N N 49 119.523 119.523 115.613 3.910 25638 1510 1 3 . 1 1 49 49 ILE HA H 49 3.970 3.970 3.988 -0.018 25638 1511 1 3 . 1 1 49 49 ILE C C 49 178.188 178.188 177.755 0.433 25638 1512 1 3 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.447 0.764 25638 1513 1 3 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.477 0.518 25638 1514 1 3 . 1 1 49 49 ILE H H 49 8.516 8.516 8.170 0.346 25638 1515 1 3 . 1 1 50 50 LYS N N 50 118.622 118.622 120.418 -1.796 25638 1516 1 3 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.087 0.106 25638 1517 1 3 . 1 1 50 50 LYS C C 50 181.391 181.391 179.301 2.090 25638 1518 1 3 . 1 1 50 50 LYS CA C 50 59.547 59.547 60.082 -0.535 25638 1519 1 3 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.320 0.270 25638 1520 1 3 . 1 1 50 50 LYS H H 50 7.522 7.522 8.208 -0.686 25638 1521 1 3 . 1 1 51 51 ILE N N 51 119.288 119.288 120.757 -1.469 25638 1522 1 3 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.635 -0.186 25638 1523 1 3 . 1 1 51 51 ILE C C 51 178.384 178.384 177.846 0.538 25638 1524 1 3 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.795 -0.028 25638 1525 1 3 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.897 1.083 25638 1526 1 3 . 1 1 51 51 ILE H H 51 8.107 8.107 8.652 -0.545 25638 1527 1 3 . 1 1 52 52 GLY N N 52 108.211 108.211 106.742 1.469 25638 1528 1 3 . 1 1 52 52 GLY C C 52 178.168 178.168 175.524 2.644 25638 1529 1 3 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.346 0.718 25638 1530 1 3 . 1 1 52 52 GLY H H 52 9.224 9.224 8.038 1.186 25638 1531 1 3 . 1 1 53 53 ASP N N 53 124.013 124.013 123.883 0.130 25638 1532 1 3 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.407 0.127 25638 1533 1 3 . 1 1 53 53 ASP C C 53 179.976 179.976 178.234 1.742 25638 1534 1 3 . 1 1 53 53 ASP CA C 53 57.628 57.628 58.216 -0.588 25638 1535 1 3 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.877 -1.595 25638 1536 1 3 . 1 1 53 53 ASP H H 53 9.091 9.091 8.452 0.639 25638 1537 1 3 . 1 1 54 54 HIS N N 54 121.598 121.598 119.273 2.325 25638 1538 1 3 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.217 0.189 25638 1539 1 3 . 1 1 54 54 HIS C C 54 178.982 178.982 177.880 1.102 25638 1540 1 3 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.587 0.873 25638 1541 1 3 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.566 2.001 25638 1542 1 3 . 1 1 54 54 HIS H H 54 7.664 7.664 7.940 -0.276 25638 1543 1 3 . 1 1 55 55 ILE N N 55 121.892 121.892 120.350 1.542 25638 1544 1 3 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.430 -0.246 25638 1545 1 3 . 1 1 55 55 ILE C C 55 178.188 178.188 177.661 0.527 25638 1546 1 3 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.612 2.065 25638 1547 1 3 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.263 -0.019 25638 1548 1 3 . 1 1 55 55 ILE H H 55 8.255 8.255 8.290 -0.035 25638 1549 1 3 . 1 1 56 56 THR N N 56 115.458 115.458 116.472 -1.014 25638 1550 1 3 . 1 1 56 56 THR HA H 56 3.759 3.759 3.863 -0.104 25638 1551 1 3 . 1 1 56 56 THR C C 56 180.195 180.195 176.911 3.284 25638 1552 1 3 . 1 1 56 56 THR CA C 56 67.551 67.551 67.034 0.518 25638 1553 1 3 . 1 1 56 56 THR CB C 56 68.756 68.756 68.373 0.383 25638 1554 1 3 . 1 1 56 56 THR H H 56 8.047 8.047 7.951 0.096 25638 1555 1 3 . 1 1 57 57 GLU N N 57 121.544 121.544 121.048 0.496 25638 1556 1 3 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.002 -0.048 25638 1557 1 3 . 1 1 57 57 GLU C C 57 180.979 180.979 178.843 2.136 25638 1558 1 3 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.525 -0.146 25638 1559 1 3 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.193 -0.453 25638 1560 1 3 . 1 1 57 57 GLU H H 57 7.591 7.591 8.514 -0.923 25638 1561 1 3 . 1 1 58 58 CYS N N 58 118.970 118.970 117.812 1.158 25638 1562 1 3 . 1 1 58 58 CYS HA H 58 3.940 3.940 3.969 -0.029 25638 1563 1 3 . 1 1 58 58 CYS C C 58 178.089 178.089 176.568 1.521 25638 1564 1 3 . 1 1 58 58 CYS CA C 58 63.222 63.222 63.404 -0.182 25638 1565 1 3 . 1 1 58 58 CYS CB C 58 26.562 26.562 27.426 -0.864 25638 1566 1 3 . 1 1 58 58 CYS H H 58 8.206 8.206 7.734 0.472 25638 1567 1 3 . 1 1 59 59 LEU N N 59 116.873 116.873 119.241 -2.368 25638 1568 1 3 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.143 0.108 25638 1569 1 3 . 1 1 59 59 LEU C C 59 179.033 179.033 178.828 0.205 25638 1570 1 3 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.250 -1.211 25638 1571 1 3 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.881 -0.844 25638 1572 1 3 . 1 1 59 59 LEU H H 59 7.726 7.726 8.043 -0.317 25638 1573 1 3 . 1 1 60 60 LYS N N 60 117.911 117.911 118.427 -0.516 25638 1574 1 3 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.013 0.118 25638 1575 1 3 . 1 1 60 60 LYS C C 60 177.912 177.912 177.316 0.596 25638 1576 1 3 . 1 1 60 60 LYS CA C 60 58.537 58.537 59.052 -0.515 25638 1577 1 3 . 1 1 60 60 LYS CB C 60 32.390 32.390 32.025 0.365 25638 1578 1 3 . 1 1 60 60 LYS H H 60 7.298 7.298 7.614 -0.316 25638 1579 1 3 . 1 1 61 61 GLU N N 61 115.507 115.507 117.892 -2.385 25638 1580 1 3 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.969 -0.080 25638 1581 1 3 . 1 1 61 61 GLU C C 61 176.576 176.576 177.032 -0.456 25638 1582 1 3 . 1 1 61 61 GLU CA C 61 57.051 57.051 58.352 -1.301 25638 1583 1 3 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.561 0.173 25638 1584 1 3 . 1 1 61 61 GLU H H 61 7.084 7.084 7.594 -0.510 25638 1585 1 3 . 1 1 62 62 TYR N N 62 118.581 118.581 116.362 2.219 25638 1586 1 3 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.403 0.303 25638 1587 1 3 . 1 1 62 62 TYR C C 62 175.935 175.935 176.406 -0.471 25638 1588 1 3 . 1 1 62 62 TYR CA C 62 57.147 57.147 58.267 -1.120 25638 1589 1 3 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.879 1.506 25638 1590 1 3 . 1 1 62 62 TYR H H 62 7.387 7.387 7.406 -0.019 25638 1591 1 3 . 1 1 63 63 THR N N 63 109.064 109.064 110.980 -1.916 25638 1592 1 3 . 1 1 63 63 THR HA H 63 4.507 4.507 4.455 0.052 25638 1593 1 3 . 1 1 63 63 THR C C 63 175.888 175.888 175.387 0.501 25638 1594 1 3 . 1 1 63 63 THR CA C 63 61.684 61.684 62.035 -0.351 25638 1595 1 3 . 1 1 63 63 THR CB C 63 70.092 70.092 70.453 -0.361 25638 1596 1 3 . 1 1 63 63 THR H H 63 8.471 8.471 8.520 -0.049 25638 1597 1 3 . 1 1 64 64 ASN N N 64 123.204 123.204 122.501 0.703 25638 1598 1 3 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.963 0.208 25638 1599 1 3 . 1 1 64 64 ASN C C 64 175.495 175.495 175.234 0.261 25638 1600 1 3 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.114 -0.977 25638 1601 1 3 . 1 1 64 64 ASN CB C 64 39.680 39.680 39.036 0.644 25638 1602 1 3 . 1 1 64 64 ASN H H 64 7.993 7.993 8.152 -0.159 25638 1603 1 3 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.231 0.039 25638 1604 1 3 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.531 0.161 25638 1605 1 3 . 1 1 65 65 PRO CB C 65 32.399 32.399 31.986 0.413 25638 1606 1 3 . 1 1 66 66 GLU N N 66 118.060 118.060 116.964 1.096 25638 1607 1 3 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.042 0.090 25638 1608 1 3 . 1 1 66 66 GLU C C 66 180.409 180.409 179.143 1.266 25638 1609 1 3 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.158 0.216 25638 1610 1 3 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.383 0.420 25638 1611 1 3 . 1 1 66 66 GLU H H 66 8.297 8.297 8.944 -0.647 25638 1612 1 3 . 1 1 67 67 GLN N N 67 120.531 120.531 119.240 1.291 25638 1613 1 3 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.946 0.221 25638 1614 1 3 . 1 1 67 67 GLN C C 67 179.072 179.072 178.581 0.491 25638 1615 1 3 . 1 1 67 67 GLN CA C 67 58.828 58.828 58.916 -0.088 25638 1616 1 3 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.671 0.572 25638 1617 1 3 . 1 1 67 67 GLN H H 67 7.738 7.738 7.534 0.204 25638 1618 1 3 . 1 1 68 68 ILE N N 68 119.632 119.632 118.369 1.263 25638 1619 1 3 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.903 -0.355 25638 1620 1 3 . 1 1 68 68 ILE C C 68 178.109 178.109 178.044 0.065 25638 1621 1 3 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.239 1.358 25638 1622 1 3 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.580 1.359 25638 1623 1 3 . 1 1 68 68 ILE H H 68 7.956 7.956 8.242 -0.286 25638 1624 1 3 . 1 1 69 69 LYS N N 69 117.236 117.236 119.653 -2.417 25638 1625 1 3 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.997 -0.068 25638 1626 1 3 . 1 1 69 69 LYS C C 69 180.271 180.271 178.850 1.421 25638 1627 1 3 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.657 0.264 25638 1628 1 3 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.378 0.229 25638 1629 1 3 . 1 1 69 69 LYS H H 69 7.665 7.665 8.317 -0.652 25638 1630 1 3 . 1 1 70 70 GLN N N 70 118.748 118.748 120.482 -1.734 25638 1631 1 3 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.107 -0.252 25638 1632 1 3 . 1 1 70 70 GLN C C 70 179.131 179.131 178.225 0.906 25638 1633 1 3 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.722 -0.470 25638 1634 1 3 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.182 0.495 25638 1635 1 3 . 1 1 70 70 GLN H H 70 7.787 7.787 7.743 0.044 25638 1636 1 3 . 1 1 71 71 TRP N N 71 118.896 118.896 119.994 -1.098 25638 1637 1 3 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.247 -0.204 25638 1638 1 3 . 1 1 71 71 TRP C C 71 178.679 178.679 178.721 -0.042 25638 1639 1 3 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.300 1.649 25638 1640 1 3 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.233 -0.989 25638 1641 1 3 . 1 1 71 71 TRP H H 71 8.374 8.374 8.637 -0.263 25638 1642 1 3 . 1 1 72 72 ARG N N 72 122.698 122.698 119.077 3.621 25638 1643 1 3 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.865 -0.046 25638 1644 1 3 . 1 1 72 72 ARG C C 72 178.561 178.561 178.612 -0.051 25638 1645 1 3 . 1 1 72 72 ARG CA C 72 61.032 61.032 60.126 0.906 25638 1646 1 3 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.015 0.254 25638 1647 1 3 . 1 1 72 72 ARG H H 72 8.808 8.808 8.340 0.468 25638 1648 1 3 . 1 1 73 73 LYS N N 73 116.946 116.946 118.975 -2.029 25638 1649 1 3 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.098 0.082 25638 1650 1 3 . 1 1 73 73 LYS C C 73 179.622 179.622 178.957 0.665 25638 1651 1 3 . 1 1 73 73 LYS CA C 73 59.535 59.535 60.393 -0.858 25638 1652 1 3 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.387 -0.672 25638 1653 1 3 . 1 1 73 73 LYS H H 73 7.380 7.380 7.754 -0.374 25638 1654 1 3 . 1 1 74 74 ASN N N 74 116.434 116.434 118.582 -2.148 25638 1655 1 3 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.604 -0.327 25638 1656 1 3 . 1 1 74 74 ASN C C 74 178.148 178.148 178.095 0.053 25638 1657 1 3 . 1 1 74 74 ASN CA C 74 55.863 55.863 55.974 -0.111 25638 1658 1 3 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.165 -0.131 25638 1659 1 3 . 1 1 74 74 ASN H H 74 8.309 8.309 8.478 -0.169 25638 1660 1 3 . 1 1 75 75 LEU N N 75 118.967 118.967 122.114 -3.147 25638 1661 1 3 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.191 -0.066 25638 1662 1 3 . 1 1 75 75 LEU C C 75 180.251 180.251 178.732 1.519 25638 1663 1 3 . 1 1 75 75 LEU CA C 75 58.827 58.827 59.475 -0.648 25638 1664 1 3 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.627 -0.643 25638 1665 1 3 . 1 1 75 75 LEU H H 75 8.635 8.635 8.588 0.047 25638 1666 1 3 . 1 1 76 76 TRP N N 76 118.544 118.544 119.486 -0.942 25638 1667 1 3 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.260 0.319 25638 1668 1 3 . 1 1 76 76 TRP C C 76 180.900 180.900 179.240 1.660 25638 1669 1 3 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.339 1.077 25638 1670 1 3 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.512 -0.414 25638 1671 1 3 . 1 1 76 76 TRP H H 76 8.006 8.006 7.550 0.456 25638 1672 1 3 . 1 1 77 77 ILE N N 77 121.982 121.982 118.853 3.129 25638 1673 1 3 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.736 0.095 25638 1674 1 3 . 1 1 77 77 ILE C C 77 181.254 181.254 177.560 3.694 25638 1675 1 3 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.332 0.709 25638 1676 1 3 . 1 1 77 77 ILE CB C 77 37.350 37.350 37.968 -0.618 25638 1677 1 3 . 1 1 77 77 ILE H H 77 8.893 8.893 8.578 0.315 25638 1678 1 3 . 1 1 78 78 PHE N N 78 123.458 123.458 120.376 3.082 25638 1679 1 3 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.218 -0.174 25638 1680 1 3 . 1 1 78 78 PHE C C 78 177.618 177.618 177.719 -0.101 25638 1681 1 3 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.286 1.794 25638 1682 1 3 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.262 -0.552 25638 1683 1 3 . 1 1 78 78 PHE H H 78 8.753 8.753 8.033 0.721 25638 1684 1 3 . 1 1 79 79 VAL N N 79 117.726 117.726 119.278 -1.552 25638 1685 1 3 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.478 0.001 25638 1686 1 3 . 1 1 79 79 VAL C C 79 178.876 178.876 178.233 0.643 25638 1687 1 3 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.541 0.272 25638 1688 1 3 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.492 0.080 25638 1689 1 3 . 1 1 79 79 VAL H H 79 8.232 8.232 8.534 -0.302 25638 1690 1 3 . 1 1 80 80 SER N N 80 114.568 114.568 114.611 -0.043 25638 1691 1 3 . 1 1 80 80 SER HA H 80 4.339 4.339 4.357 -0.018 25638 1692 1 3 . 1 1 80 80 SER C C 80 176.261 176.261 175.873 0.388 25638 1693 1 3 . 1 1 80 80 SER CA C 80 61.337 61.337 60.698 0.639 25638 1694 1 3 . 1 1 80 80 SER CB C 80 62.712 62.712 62.644 0.068 25638 1695 1 3 . 1 1 80 80 SER H H 80 8.353 8.353 8.461 -0.108 25638 1696 1 3 . 1 1 81 81 LYS N N 81 121.180 121.180 121.545 -0.365 25638 1697 1 3 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.086 0.112 25638 1698 1 3 . 1 1 81 81 LYS C C 81 178.305 178.305 178.491 -0.186 25638 1699 1 3 . 1 1 81 81 LYS CA C 81 57.104 57.104 57.693 -0.589 25638 1700 1 3 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.381 -1.722 25638 1701 1 3 . 1 1 81 81 LYS H H 81 7.481 7.481 7.552 -0.071 25638 1702 1 3 . 1 1 82 82 PHE N N 82 117.950 117.950 119.392 -1.442 25638 1703 1 3 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.559 -0.162 25638 1704 1 3 . 1 1 82 82 PHE C C 82 174.787 174.787 174.665 0.122 25638 1705 1 3 . 1 1 82 82 PHE CA C 82 58.398 58.398 58.014 0.383 25638 1706 1 3 . 1 1 82 82 PHE CB C 82 38.937 38.937 37.821 1.116 25638 1707 1 3 . 1 1 82 82 PHE H H 82 8.256 8.256 8.019 0.237 25638 1708 1 3 . 1 1 83 83 THR N N 83 109.995 109.995 111.903 -1.908 25638 1709 1 3 . 1 1 83 83 THR HA H 83 4.988 4.988 4.589 0.399 25638 1710 1 3 . 1 1 83 83 THR C C 83 174.138 174.138 173.897 0.241 25638 1711 1 3 . 1 1 83 83 THR CA C 83 59.609 59.609 60.358 -0.749 25638 1712 1 3 . 1 1 83 83 THR CB C 83 71.080 71.080 70.396 0.684 25638 1713 1 3 . 1 1 83 83 THR H H 83 7.665 7.665 7.455 0.210 25638 1714 1 3 . 1 1 84 84 GLU N N 84 119.416 119.416 120.738 -1.322 25638 1715 1 3 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.257 0.138 25638 1716 1 3 . 1 1 84 84 GLU C C 84 177.912 177.912 176.975 0.937 25638 1717 1 3 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.749 -1.253 25638 1718 1 3 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.965 -0.443 25638 1719 1 3 . 1 1 84 84 GLU H H 84 8.409 8.409 8.744 -0.335 25638 1720 1 3 . 1 1 85 85 PHE N N 85 120.265 120.265 120.255 0.010 25638 1721 1 3 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.626 0.265 25638 1722 1 3 . 1 1 85 85 PHE C C 85 175.809 175.809 174.974 0.835 25638 1723 1 3 . 1 1 85 85 PHE CA C 85 56.109 56.109 56.573 -0.464 25638 1724 1 3 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.081 2.107 25638 1725 1 3 . 1 1 85 85 PHE H H 85 8.210 8.210 7.812 0.398 25638 1726 1 3 . 1 1 86 86 ASP N N 86 118.128 118.128 124.351 -6.223 25638 1727 1 3 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.432 0.304 25638 1728 1 3 . 1 1 86 86 ASP C C 86 176.986 176.986 177.528 -0.542 25638 1729 1 3 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.283 -2.100 25638 1730 1 3 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.926 -0.393 25638 1731 1 3 . 1 1 86 86 ASP H H 86 8.119 8.119 8.632 -0.513 25638 1732 1 3 . 1 1 87 87 ALA N N 87 121.912 121.912 127.765 -5.853 25638 1733 1 3 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.031 -0.042 25638 1734 1 3 . 1 1 87 87 ALA C C 87 180.378 180.378 179.534 0.844 25638 1735 1 3 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.206 0.869 25638 1736 1 3 . 1 1 87 87 ALA CB C 87 20.207 20.207 19.009 1.198 25638 1737 1 3 . 1 1 87 87 ALA H H 87 8.757 8.757 8.436 0.321 25638 1738 1 3 . 1 1 88 88 ARG N N 88 117.072 117.072 118.162 -1.090 25638 1739 1 3 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.940 0.016 25638 1740 1 3 . 1 1 88 88 ARG C C 88 179.975 179.975 178.066 1.909 25638 1741 1 3 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.682 -0.430 25638 1742 1 3 . 1 1 88 88 ARG CB C 88 29.613 29.613 30.078 -0.465 25638 1743 1 3 . 1 1 88 88 ARG H H 88 8.147 8.147 8.698 -0.551 25638 1744 1 3 . 1 1 89 89 LYS N N 89 121.809 121.809 119.479 2.330 25638 1745 1 3 . 1 1 89 89 LYS HA H 89 3.909 3.909 3.943 -0.034 25638 1746 1 3 . 1 1 89 89 LYS C C 89 179.505 179.505 178.976 0.529 25638 1747 1 3 . 1 1 89 89 LYS CA C 89 58.986 58.986 59.329 -0.343 25638 1748 1 3 . 1 1 89 89 LYS CB C 89 32.334 32.334 31.649 0.685 25638 1749 1 3 . 1 1 89 89 LYS H H 89 8.022 8.022 7.542 0.480 25638 1750 1 3 . 1 1 90 90 LEU N N 90 118.429 118.429 119.969 -1.540 25638 1751 1 3 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.666 0.078 25638 1752 1 3 . 1 1 90 90 LEU C C 90 178.069 178.069 177.643 0.426 25638 1753 1 3 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.348 -0.305 25638 1754 1 3 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.729 0.733 25638 1755 1 3 . 1 1 90 90 LEU H H 90 8.139 8.139 8.678 -0.539 25638 1756 1 3 . 1 1 91 91 HIS N N 91 117.214 117.214 116.621 0.593 25638 1757 1 3 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.155 0.824 25638 1758 1 3 . 1 1 91 91 HIS C C 91 178.069 178.069 177.431 0.638 25638 1759 1 3 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.594 -0.416 25638 1760 1 3 . 1 1 91 91 HIS CB C 91 29.428 29.428 28.574 0.854 25638 1761 1 3 . 1 1 91 91 HIS H H 91 7.379 7.379 7.205 0.174 25638 1762 1 3 . 1 1 92 92 LYS N N 92 118.466 118.466 119.311 -0.845 25638 1763 1 3 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.899 -0.264 25638 1764 1 3 . 1 1 92 92 LYS C C 92 180.310 180.310 179.028 1.282 25638 1765 1 3 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.462 0.462 25638 1766 1 3 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.311 0.054 25638 1767 1 3 . 1 1 92 92 LYS H H 92 7.599 7.599 7.341 0.258 25638 1768 1 3 . 1 1 93 93 LEU N N 93 120.752 120.752 120.899 -0.147 25638 1769 1 3 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.910 0.073 25638 1770 1 3 . 1 1 93 93 LEU C C 93 181.269 181.269 179.164 2.105 25638 1771 1 3 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.076 -0.076 25638 1772 1 3 . 1 1 93 93 LEU CB C 93 42.339 42.339 40.734 1.605 25638 1773 1 3 . 1 1 93 93 LEU H H 93 8.351 8.351 8.285 0.066 25638 1774 1 3 . 1 1 94 94 TYR N N 94 122.311 122.311 119.913 2.398 25638 1775 1 3 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.058 0.078 25638 1776 1 3 . 1 1 94 94 TYR C C 94 176.789 176.789 177.401 -0.612 25638 1777 1 3 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.265 0.035 25638 1778 1 3 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.320 0.258 25638 1779 1 3 . 1 1 94 94 TYR H H 94 8.290 8.290 8.834 -0.544 25638 1780 1 3 . 1 1 95 95 LYS N N 95 117.851 117.851 119.641 -1.790 25638 1781 1 3 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.573 -0.147 25638 1782 1 3 . 1 1 95 95 LYS C C 95 180.684 180.684 178.477 2.207 25638 1783 1 3 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.869 -0.490 25638 1784 1 3 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.162 -0.914 25638 1785 1 3 . 1 1 95 95 LYS H H 95 8.180 8.180 7.963 0.217 25638 1786 1 3 . 1 1 96 96 HIS N N 96 117.611 117.611 117.717 -0.106 25638 1787 1 3 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.136 0.077 25638 1788 1 3 . 1 1 96 96 HIS C C 96 178.266 178.266 177.238 1.028 25638 1789 1 3 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.396 -0.122 25638 1790 1 3 . 1 1 96 96 HIS CB C 96 30.203 30.203 30.098 0.105 25638 1791 1 3 . 1 1 96 96 HIS H H 96 8.049 8.049 8.471 -0.422 25638 1792 1 3 . 1 1 97 97 ALA N N 97 122.617 122.617 122.692 -0.075 25638 1793 1 3 . 1 1 97 97 ALA HA H 97 4.091 4.091 3.941 0.150 25638 1794 1 3 . 1 1 97 97 ALA C C 97 181.352 181.352 179.467 1.885 25638 1795 1 3 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.110 -0.465 25638 1796 1 3 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.150 -0.381 25638 1797 1 3 . 1 1 97 97 ALA H H 97 8.104 8.104 8.045 0.059 25638 1798 1 3 . 1 1 98 98 ILE N N 98 111.626 111.626 118.857 -7.231 25638 1799 1 3 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.592 0.516 25638 1800 1 3 . 1 1 98 98 ILE C C 98 178.561 178.561 177.453 1.108 25638 1801 1 3 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.380 -1.650 25638 1802 1 3 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.973 -0.327 25638 1803 1 3 . 1 1 98 98 ILE H H 98 7.636 7.636 7.741 -0.105 25638 1804 1 3 . 1 1 99 99 LYS N N 99 124.158 124.158 120.458 3.700 25638 1805 1 3 . 1 1 99 99 LYS HA H 99 4.045 4.045 4.183 -0.138 25638 1806 1 3 . 1 1 99 99 LYS C C 99 179.111 179.111 178.359 0.752 25638 1807 1 3 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.407 -0.337 25638 1808 1 3 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.189 -0.017 25638 1809 1 3 . 1 1 99 99 LYS H H 99 7.359 7.359 8.317 -0.958 25638 1810 1 3 . 1 1 100 100 LYS N N 100 118.333 118.333 117.474 0.859 25638 1811 1 3 . 1 1 100 100 LYS HA H 100 4.143 4.143 3.836 0.307 25638 1812 1 3 . 1 1 100 100 LYS C C 100 179.111 179.111 178.854 0.257 25638 1813 1 3 . 1 1 100 100 LYS CA C 100 57.212 57.212 59.001 -1.789 25638 1814 1 3 . 1 1 100 100 LYS CB C 100 31.742 31.742 31.997 -0.255 25638 1815 1 3 . 1 1 100 100 LYS H H 100 7.937 7.937 7.707 0.230 25638 1816 1 3 . 1 1 101 101 ARG N N 101 121.125 121.125 117.715 3.410 25638 1817 1 3 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.135 -0.006 25638 1818 1 3 . 1 1 101 101 ARG C C 101 178.541 178.541 177.352 1.189 25638 1819 1 3 . 1 1 101 101 ARG CA C 101 58.166 58.166 58.169 -0.002 25638 1820 1 3 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.603 -0.012 25638 1821 1 3 . 1 1 101 101 ARG H H 101 7.895 7.895 7.647 0.248 25638 1822 1 3 . 1 1 102 102 GLN N N 102 119.756 119.756 114.844 4.912 25638 1823 1 3 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.518 -0.311 25638 1824 1 3 . 1 1 102 102 GLN C C 102 178.129 178.129 174.044 4.085 25638 1825 1 3 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.208 1.704 25638 1826 1 3 . 1 1 102 102 GLN CB C 102 28.921 28.921 32.954 -4.033 25638 1827 1 3 . 1 1 102 102 GLN H H 102 8.167 8.167 8.223 -0.056 25638 1828 1 3 . 1 1 103 103 GLU N N 103 120.553 120.553 119.574 0.979 25638 1829 1 3 . 1 1 103 103 GLU HA H 103 4.200 4.200 3.974 0.226 25638 1830 1 3 . 1 1 103 103 GLU C C 103 178.286 178.286 175.003 3.283 25638 1831 1 3 . 1 1 103 103 GLU CA C 103 57.505 57.505 57.206 0.299 25638 1832 1 3 . 1 1 103 103 GLU CB C 103 29.924 29.924 28.457 1.467 25638 1833 1 3 . 1 1 103 103 GLU H H 103 8.189 8.189 8.732 -0.542 25638 1834 1 3 . 1 1 104 104 SER N N 104 115.381 115.381 112.807 2.574 25638 1835 1 3 . 1 1 104 104 SER HA H 104 4.431 4.431 4.195 0.236 25638 1836 1 3 . 1 1 104 104 SER C C 104 175.750 175.750 175.076 0.674 25638 1837 1 3 . 1 1 104 104 SER CA C 104 59.154 59.154 59.052 0.102 25638 1838 1 3 . 1 1 104 104 SER CB C 104 63.456 63.456 62.087 1.369 25638 1839 1 3 . 1 1 104 104 SER H H 104 8.099 8.099 8.503 -0.404 25638 1840 1 3 . 1 1 105 105 GLN N N 105 121.635 121.635 119.905 1.730 25638 1841 1 3 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.122 0.213 25638 1842 1 3 . 1 1 105 105 GLN C C 105 177.008 177.008 177.066 -0.058 25638 1843 1 3 . 1 1 105 105 GLN CA C 105 56.053 56.053 58.493 -2.440 25638 1844 1 3 . 1 1 105 105 GLN CB C 105 29.128 29.128 29.066 0.062 25638 1845 1 3 . 1 1 105 105 GLN H H 105 8.170 8.170 8.694 -0.524 25638 1846 1 3 . 1 1 106 106 GLN N N 106 120.850 120.850 115.566 5.284 25638 1847 1 3 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.500 -0.169 25638 1848 1 3 . 1 1 106 106 GLN C C 106 176.713 176.713 174.818 1.895 25638 1849 1 3 . 1 1 106 106 GLN CA C 106 55.951 55.951 54.414 1.537 25638 1850 1 3 . 1 1 106 106 GLN CB C 106 29.254 29.254 30.467 -1.213 25638 1851 1 3 . 1 1 106 106 GLN H H 106 8.281 8.281 7.672 0.609 25638 1852 1 3 . 1 1 107 107 ASN N N 107 120.271 120.271 117.238 3.033 25638 1853 1 3 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.538 0.252 25638 1854 1 3 . 1 1 107 107 ASN C C 107 175.337 175.337 174.232 1.105 25638 1855 1 3 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.275 0.078 25638 1856 1 3 . 1 1 107 107 ASN CB C 107 39.094 39.094 38.239 0.855 25638 1857 1 3 . 1 1 107 107 ASN H H 107 8.434 8.434 8.585 -0.151 25638 1858 1 4 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.541 -0.096 25638 1859 1 4 . 1 1 2 2 PRO C C 2 178.089 178.089 175.552 2.537 25638 1860 1 4 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.203 1.103 25638 1861 1 4 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.919 -0.452 25638 1862 1 4 . 1 1 3 3 LEU N N 3 122.239 122.239 119.619 2.620 25638 1863 1 4 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.529 -0.232 25638 1864 1 4 . 1 1 3 3 LEU C C 3 178.876 178.876 177.501 1.375 25638 1865 1 4 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.478 1.051 25638 1866 1 4 . 1 1 3 3 LEU CB C 3 42.150 42.150 41.937 0.213 25638 1867 1 4 . 1 1 3 3 LEU H H 3 8.522 8.522 8.048 0.474 25638 1868 1 4 . 1 1 4 4 GLY N N 4 109.572 109.572 108.366 1.206 25638 1869 1 4 . 1 1 4 4 GLY C C 4 174.630 174.630 174.356 0.274 25638 1870 1 4 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.528 0.805 25638 1871 1 4 . 1 1 4 4 GLY H H 4 8.349 8.349 7.935 0.414 25638 1872 1 4 . 1 1 5 5 SER N N 5 115.481 115.481 114.389 1.092 25638 1873 1 4 . 1 1 5 5 SER HA H 5 4.513 4.513 4.447 0.066 25638 1874 1 4 . 1 1 5 5 SER C C 5 174.667 174.667 174.692 -0.025 25638 1875 1 4 . 1 1 5 5 SER CA C 5 57.801 57.801 57.959 -0.158 25638 1876 1 4 . 1 1 5 5 SER CB C 5 64.536 64.536 64.130 0.406 25638 1877 1 4 . 1 1 5 5 SER H H 5 8.119 8.119 8.125 -0.006 25638 1878 1 4 . 1 1 6 6 LEU N N 6 121.895 121.895 122.657 -0.762 25638 1879 1 4 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.245 0.409 25638 1880 1 4 . 1 1 6 6 LEU C C 6 177.932 177.932 176.336 1.596 25638 1881 1 4 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.403 -0.481 25638 1882 1 4 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.108 2.498 25638 1883 1 4 . 1 1 6 6 LEU H H 6 8.319 8.319 8.117 0.202 25638 1884 1 4 . 1 1 7 7 ASP N N 7 121.978 121.978 124.347 -2.369 25638 1885 1 4 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.635 -0.029 25638 1886 1 4 . 1 1 7 7 ASP C C 7 176.477 176.477 177.490 -1.013 25638 1887 1 4 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.218 -1.000 25638 1888 1 4 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.581 -1.623 25638 1889 1 4 . 1 1 7 7 ASP H H 7 8.318 8.318 8.199 0.119 25638 1890 1 4 . 1 1 8 8 GLN N N 8 119.885 119.885 121.480 -1.595 25638 1891 1 4 . 1 1 8 8 GLN HA H 8 4.086 4.086 3.988 0.098 25638 1892 1 4 . 1 1 8 8 GLN C C 8 179.710 179.710 178.554 1.156 25638 1893 1 4 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.992 -0.167 25638 1894 1 4 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.732 -0.248 25638 1895 1 4 . 1 1 8 8 GLN H H 8 8.746 8.746 8.726 0.020 25638 1896 1 4 . 1 1 9 9 LYS N N 9 120.863 120.863 119.251 1.612 25638 1897 1 4 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.145 0.052 25638 1898 1 4 . 1 1 9 9 LYS C C 9 180.333 180.333 179.024 1.309 25638 1899 1 4 . 1 1 9 9 LYS CA C 9 59.374 59.374 60.044 -0.670 25638 1900 1 4 . 1 1 9 9 LYS CB C 9 31.957 31.957 32.152 -0.195 25638 1901 1 4 . 1 1 9 9 LYS H H 9 8.454 8.454 8.138 0.316 25638 1902 1 4 . 1 1 10 10 THR N N 10 118.654 118.654 116.941 1.713 25638 1903 1 4 . 1 1 10 10 THR HA H 10 3.985 3.985 4.283 -0.298 25638 1904 1 4 . 1 1 10 10 THR C C 10 177.904 177.904 176.037 1.867 25638 1905 1 4 . 1 1 10 10 THR CA C 10 67.618 67.618 67.552 0.066 25638 1906 1 4 . 1 1 10 10 THR CB C 10 67.523 67.523 68.510 -0.987 25638 1907 1 4 . 1 1 10 10 THR H H 10 8.531 8.531 8.006 0.525 25638 1908 1 4 . 1 1 11 11 PHE N N 11 123.876 123.876 122.668 1.208 25638 1909 1 4 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.655 -0.661 25638 1910 1 4 . 1 1 11 11 PHE C C 11 177.676 177.676 178.384 -0.708 25638 1911 1 4 . 1 1 11 11 PHE CA C 11 63.219 63.219 59.002 4.217 25638 1912 1 4 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.577 0.769 25638 1913 1 4 . 1 1 11 11 PHE H H 11 9.296 9.296 9.041 0.255 25638 1914 1 4 . 1 1 12 12 SER N N 12 114.219 114.219 117.130 -2.911 25638 1915 1 4 . 1 1 12 12 SER HA H 12 4.151 4.151 4.121 0.030 25638 1916 1 4 . 1 1 12 12 SER C C 12 177.922 177.922 176.781 1.141 25638 1917 1 4 . 1 1 12 12 SER CA C 12 62.899 62.899 62.173 0.726 25638 1918 1 4 . 1 1 12 12 SER CB C 12 63.194 63.194 63.113 0.081 25638 1919 1 4 . 1 1 12 12 SER H H 12 8.306 8.306 8.410 -0.104 25638 1920 1 4 . 1 1 13 13 ILE N N 13 123.613 123.613 121.634 1.979 25638 1921 1 4 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.663 0.174 25638 1922 1 4 . 1 1 13 13 ILE C C 13 179.563 179.563 177.543 2.020 25638 1923 1 4 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.339 -0.239 25638 1924 1 4 . 1 1 13 13 ILE CB C 13 38.310 38.310 38.164 0.146 25638 1925 1 4 . 1 1 13 13 ILE H H 13 7.897 7.897 7.939 -0.042 25638 1926 1 4 . 1 1 14 14 CYS N N 14 118.125 118.125 117.508 0.617 25638 1927 1 4 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.752 -0.201 25638 1928 1 4 . 1 1 14 14 CYS C C 14 176.010 176.010 176.108 -0.098 25638 1929 1 4 . 1 1 14 14 CYS CA C 14 64.572 64.572 63.055 1.517 25638 1930 1 4 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.988 0.733 25638 1931 1 4 . 1 1 14 14 CYS H H 14 8.329 8.329 8.279 0.050 25638 1932 1 4 . 1 1 15 15 LYS N N 15 118.532 118.532 119.131 -0.599 25638 1933 1 4 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.864 -0.715 25638 1934 1 4 . 1 1 15 15 LYS C C 15 179.846 179.846 177.730 2.116 25638 1935 1 4 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.106 0.626 25638 1936 1 4 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.177 -0.085 25638 1937 1 4 . 1 1 15 15 LYS H H 15 8.025 8.025 7.407 0.618 25638 1938 1 4 . 1 1 16 16 GLU N N 16 118.138 118.138 117.923 0.215 25638 1939 1 4 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.144 -0.117 25638 1940 1 4 . 1 1 16 16 GLU C C 16 180.959 180.959 179.043 1.916 25638 1941 1 4 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.003 1.139 25638 1942 1 4 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.612 -0.499 25638 1943 1 4 . 1 1 16 16 GLU H H 16 7.403 7.403 7.512 -0.109 25638 1944 1 4 . 1 1 17 17 ARG N N 17 117.969 117.969 118.978 -1.009 25638 1945 1 4 . 1 1 17 17 ARG HA H 17 4.063 4.063 3.970 0.093 25638 1946 1 4 . 1 1 17 17 ARG C C 17 179.544 179.544 178.861 0.683 25638 1947 1 4 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.873 0.282 25638 1948 1 4 . 1 1 17 17 ARG CB C 17 29.967 29.967 29.797 0.170 25638 1949 1 4 . 1 1 17 17 ARG H H 17 8.325 8.325 8.351 -0.026 25638 1950 1 4 . 1 1 18 18 MET N N 18 113.332 113.332 118.457 -5.125 25638 1951 1 4 . 1 1 18 18 MET HA H 18 4.561 4.561 4.330 0.231 25638 1952 1 4 . 1 1 18 18 MET C C 18 176.890 176.890 175.135 1.755 25638 1953 1 4 . 1 1 18 18 MET CA C 18 53.377 53.377 54.725 -1.348 25638 1954 1 4 . 1 1 18 18 MET CB C 18 29.724 29.724 31.219 -1.495 25638 1955 1 4 . 1 1 18 18 MET H H 18 7.718 7.718 8.094 -0.376 25638 1956 1 4 . 1 1 19 19 ARG N N 19 123.288 123.288 120.012 3.276 25638 1957 1 4 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.193 -0.042 25638 1958 1 4 . 1 1 19 19 ARG C C 19 176.556 176.556 176.954 -0.398 25638 1959 1 4 . 1 1 19 19 ARG CA C 19 61.133 61.133 61.027 0.106 25638 1960 1 4 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.220 0.038 25638 1961 1 4 . 1 1 19 19 ARG H H 19 7.152 7.152 7.727 -0.575 25638 1962 1 4 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.160 0.183 25638 1963 1 4 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.318 0.679 25638 1964 1 4 . 1 1 20 20 PRO CB C 20 31.840 31.840 30.946 0.894 25638 1965 1 4 . 1 1 21 21 VAL N N 21 105.802 105.802 111.385 -5.583 25638 1966 1 4 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.170 0.651 25638 1967 1 4 . 1 1 21 21 VAL C C 21 176.261 176.261 176.582 -0.321 25638 1968 1 4 . 1 1 21 21 VAL CA C 21 59.103 59.103 61.367 -2.264 25638 1969 1 4 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.803 0.053 25638 1970 1 4 . 1 1 21 21 VAL H H 21 7.352 7.352 7.867 -0.515 25638 1971 1 4 . 1 1 22 22 LYS N N 22 122.802 122.802 121.844 0.958 25638 1972 1 4 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.837 -0.073 25638 1973 1 4 . 1 1 22 22 LYS C C 22 178.758 178.758 177.917 0.841 25638 1974 1 4 . 1 1 22 22 LYS CA C 22 60.332 60.332 59.977 0.355 25638 1975 1 4 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.272 -0.058 25638 1976 1 4 . 1 1 22 22 LYS H H 22 7.640 7.640 7.442 0.198 25638 1977 1 4 . 1 1 23 23 ALA N N 23 120.067 120.067 121.312 -1.245 25638 1978 1 4 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.090 -0.015 25638 1979 1 4 . 1 1 23 23 ALA C C 23 180.998 180.998 179.424 1.574 25638 1980 1 4 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.055 0.104 25638 1981 1 4 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.845 0.069 25638 1982 1 4 . 1 1 23 23 ALA H H 23 8.571 8.571 8.289 0.282 25638 1983 1 4 . 1 1 24 24 ALA N N 24 121.068 121.068 122.031 -0.963 25638 1984 1 4 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.107 0.055 25638 1985 1 4 . 1 1 24 24 ALA C C 24 180.271 180.271 179.744 0.527 25638 1986 1 4 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.566 0.190 25638 1987 1 4 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.218 -0.025 25638 1988 1 4 . 1 1 24 24 ALA H H 24 7.320 7.320 7.564 -0.244 25638 1989 1 4 . 1 1 25 25 LEU N N 25 117.214 117.214 120.030 -2.816 25638 1990 1 4 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.900 -0.189 25638 1991 1 4 . 1 1 25 25 LEU C C 25 179.524 179.524 178.638 0.886 25638 1992 1 4 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.479 -0.528 25638 1993 1 4 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.686 -1.056 25638 1994 1 4 . 1 1 25 25 LEU H H 25 7.698 7.698 8.596 -0.898 25638 1995 1 4 . 1 1 26 26 LYS N N 26 116.336 116.336 117.517 -1.181 25638 1996 1 4 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.112 0.051 25638 1997 1 4 . 1 1 26 26 LYS C C 26 179.308 179.308 179.104 0.204 25638 1998 1 4 . 1 1 26 26 LYS CA C 26 58.414 58.414 58.993 -0.579 25638 1999 1 4 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.364 -0.198 25638 2000 1 4 . 1 1 26 26 LYS H H 26 7.675 7.675 7.819 -0.144 25638 2001 1 4 . 1 1 27 27 GLN N N 27 116.118 116.118 120.062 -3.944 25638 2002 1 4 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.211 0.064 25638 2003 1 4 . 1 1 27 27 GLN C C 27 178.679 178.679 178.637 0.042 25638 2004 1 4 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.528 -1.720 25638 2005 1 4 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.657 1.363 25638 2006 1 4 . 1 1 27 27 GLN H H 27 7.520 7.520 8.258 -0.738 25638 2007 1 4 . 1 1 28 28 LEU N N 28 121.335 121.335 118.663 2.672 25638 2008 1 4 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.160 -0.007 25638 2009 1 4 . 1 1 28 28 LEU C C 28 178.168 178.168 179.013 -0.845 25638 2010 1 4 . 1 1 28 28 LEU CA C 28 58.042 58.042 57.344 0.698 25638 2011 1 4 . 1 1 28 28 LEU CB C 28 41.911 41.911 40.953 0.958 25638 2012 1 4 . 1 1 28 28 LEU H H 28 7.506 7.506 8.330 -0.824 25638 2013 1 4 . 1 1 29 29 ASP N N 29 117.486 117.486 118.971 -1.485 25638 2014 1 4 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.635 0.279 25638 2015 1 4 . 1 1 29 29 ASP C C 29 176.772 176.772 176.527 0.245 25638 2016 1 4 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.664 -2.538 25638 2017 1 4 . 1 1 29 29 ASP CB C 29 42.715 42.715 42.331 0.384 25638 2018 1 4 . 1 1 29 29 ASP H H 29 8.120 8.120 7.793 0.327 25638 2019 1 4 . 1 1 30 30 ARG N N 30 119.107 119.107 118.347 0.760 25638 2020 1 4 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.810 -0.049 25638 2021 1 4 . 1 1 30 30 ARG C C 30 173.824 173.824 173.224 0.600 25638 2022 1 4 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.399 -0.168 25638 2023 1 4 . 1 1 30 30 ARG CB C 30 31.311 31.311 30.580 0.731 25638 2024 1 4 . 1 1 30 30 ARG H H 30 7.701 7.701 7.612 0.089 25638 2025 1 4 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.495 -0.229 25638 2026 1 4 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.665 0.280 25638 2027 1 4 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.928 -0.914 25638 2028 1 4 . 1 1 32 32 GLU N N 32 122.391 122.391 120.403 1.988 25638 2029 1 4 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.517 -0.329 25638 2030 1 4 . 1 1 32 32 GLU C C 32 177.401 177.401 175.913 1.488 25638 2031 1 4 . 1 1 32 32 GLU CA C 32 56.389 56.389 54.588 1.801 25638 2032 1 4 . 1 1 32 32 GLU CB C 32 30.188 30.188 32.310 -2.122 25638 2033 1 4 . 1 1 32 32 GLU H H 32 8.454 8.454 8.796 -0.342 25638 2034 1 4 . 1 1 33 33 LYS N N 33 123.127 123.127 121.244 1.883 25638 2035 1 4 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.506 -0.330 25638 2036 1 4 . 1 1 33 33 LYS C C 33 178.482 178.482 176.193 2.289 25638 2037 1 4 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.116 1.011 25638 2038 1 4 . 1 1 33 33 LYS CB C 33 32.640 32.640 32.746 -0.106 25638 2039 1 4 . 1 1 33 33 LYS H H 33 8.338 8.338 8.354 -0.016 25638 2040 1 4 . 1 1 34 34 GLY N N 34 109.507 109.507 108.326 1.181 25638 2041 1 4 . 1 1 34 34 GLY C C 34 175.475 175.475 174.409 1.066 25638 2042 1 4 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.283 0.035 25638 2043 1 4 . 1 1 34 34 GLY H H 34 8.643 8.643 8.379 0.264 25638 2044 1 4 . 1 1 35 35 LEU N N 35 120.392 120.392 119.089 1.303 25638 2045 1 4 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.842 -0.327 25638 2046 1 4 . 1 1 35 35 LEU C C 35 178.797 178.797 176.695 2.102 25638 2047 1 4 . 1 1 35 35 LEU CA C 35 54.449 54.449 55.172 -0.723 25638 2048 1 4 . 1 1 35 35 LEU CB C 35 43.116 43.116 44.230 -1.114 25638 2049 1 4 . 1 1 35 35 LEU H H 35 7.480 7.480 7.918 -0.438 25638 2050 1 4 . 1 1 36 36 SER N N 36 118.629 118.629 111.792 6.837 25638 2051 1 4 . 1 1 36 36 SER HA H 36 4.471 4.471 4.578 -0.107 25638 2052 1 4 . 1 1 36 36 SER C C 36 175.632 175.632 174.064 1.568 25638 2053 1 4 . 1 1 36 36 SER CA C 36 57.814 57.814 57.189 0.625 25638 2054 1 4 . 1 1 36 36 SER CB C 36 64.678 64.678 63.789 0.888 25638 2055 1 4 . 1 1 36 36 SER H H 36 8.838 8.838 7.718 1.120 25638 2056 1 4 . 1 1 37 37 GLU N N 37 122.722 122.722 122.199 0.523 25638 2057 1 4 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.105 -0.091 25638 2058 1 4 . 1 1 37 37 GLU C C 37 179.976 179.976 178.156 1.820 25638 2059 1 4 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.462 1.116 25638 2060 1 4 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.780 -0.431 25638 2061 1 4 . 1 1 37 37 GLU H H 37 9.018 9.018 8.900 0.118 25638 2062 1 4 . 1 1 38 38 ARG N N 38 118.418 118.418 119.612 -1.194 25638 2063 1 4 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.125 -0.012 25638 2064 1 4 . 1 1 38 38 ARG C C 38 180.212 180.212 178.577 1.635 25638 2065 1 4 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.913 0.535 25638 2066 1 4 . 1 1 38 38 ARG CB C 38 29.807 29.807 29.726 0.081 25638 2067 1 4 . 1 1 38 38 ARG H H 38 8.509 8.509 8.236 0.273 25638 2068 1 4 . 1 1 39 39 GLU N N 39 119.730 119.730 118.413 1.317 25638 2069 1 4 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.032 0.058 25638 2070 1 4 . 1 1 39 39 GLU C C 39 180.529 180.529 178.886 1.643 25638 2071 1 4 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.886 -0.993 25638 2072 1 4 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.905 1.652 25638 2073 1 4 . 1 1 39 39 GLU H H 39 7.761 7.761 8.585 -0.824 25638 2074 1 4 . 1 1 40 40 GLN N N 40 121.665 121.665 117.847 3.818 25638 2075 1 4 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.075 -0.031 25638 2076 1 4 . 1 1 40 40 GLN C C 40 179.760 179.760 178.534 1.226 25638 2077 1 4 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.671 0.699 25638 2078 1 4 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.127 0.361 25638 2079 1 4 . 1 1 40 40 GLN H H 40 8.871 8.871 7.821 1.050 25638 2080 1 4 . 1 1 41 41 LEU N N 41 121.002 121.002 120.288 0.714 25638 2081 1 4 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.127 0.100 25638 2082 1 4 . 1 1 41 41 LEU C C 41 180.841 180.841 179.333 1.508 25638 2083 1 4 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.053 0.237 25638 2084 1 4 . 1 1 41 41 LEU CB C 41 41.601 41.601 40.970 0.631 25638 2085 1 4 . 1 1 41 41 LEU H H 41 8.140 8.140 7.467 0.673 25638 2086 1 4 . 1 1 42 42 GLU N N 42 119.818 119.818 118.920 0.898 25638 2087 1 4 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.964 0.270 25638 2088 1 4 . 1 1 42 42 GLU C C 42 179.603 179.603 178.778 0.825 25638 2089 1 4 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.680 -0.770 25638 2090 1 4 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.448 -0.482 25638 2091 1 4 . 1 1 42 42 GLU H H 42 7.894 7.894 7.882 0.012 25638 2092 1 4 . 1 1 43 43 HIS N N 43 119.964 119.964 118.888 1.076 25638 2093 1 4 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.307 0.114 25638 2094 1 4 . 1 1 43 43 HIS C C 43 179.140 179.140 177.902 1.238 25638 2095 1 4 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.203 -0.390 25638 2096 1 4 . 1 1 43 43 HIS CB C 43 29.444 29.444 29.867 -0.423 25638 2097 1 4 . 1 1 43 43 HIS H H 43 8.437 8.437 8.853 -0.416 25638 2098 1 4 . 1 1 44 44 THR N N 44 117.768 117.768 116.408 1.360 25638 2099 1 4 . 1 1 44 44 THR HA H 44 3.884 3.884 3.930 -0.046 25638 2100 1 4 . 1 1 44 44 THR C C 44 179.008 179.008 176.371 2.637 25638 2101 1 4 . 1 1 44 44 THR CA C 44 67.603 67.603 67.700 -0.097 25638 2102 1 4 . 1 1 44 44 THR CB C 44 68.981 68.981 68.791 0.190 25638 2103 1 4 . 1 1 44 44 THR H H 44 8.589 8.589 8.253 0.336 25638 2104 1 4 . 1 1 45 45 ARG N N 45 121.750 121.750 120.956 0.794 25638 2105 1 4 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.092 -0.213 25638 2106 1 4 . 1 1 45 45 ARG C C 45 178.817 178.817 178.645 0.172 25638 2107 1 4 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.212 1.647 25638 2108 1 4 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.020 1.696 25638 2109 1 4 . 1 1 45 45 ARG H H 45 8.255 8.255 7.519 0.736 25638 2110 1 4 . 1 1 46 46 GLN N N 46 116.576 116.576 119.622 -3.046 25638 2111 1 4 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.108 -0.084 25638 2112 1 4 . 1 1 46 46 GLN C C 46 181.018 181.018 178.714 2.304 25638 2113 1 4 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.698 0.877 25638 2114 1 4 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.016 -0.261 25638 2115 1 4 . 1 1 46 46 GLN H H 46 8.328 8.328 8.363 -0.035 25638 2116 1 4 . 1 1 47 47 CYS N N 47 118.569 118.569 119.525 -0.956 25638 2117 1 4 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.061 0.022 25638 2118 1 4 . 1 1 47 47 CYS C C 47 177.244 177.244 176.896 0.348 25638 2119 1 4 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.945 0.159 25638 2120 1 4 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.793 -0.730 25638 2121 1 4 . 1 1 47 47 CYS H H 47 8.029 8.029 8.279 -0.250 25638 2122 1 4 . 1 1 48 48 LEU N N 48 119.873 119.873 121.629 -1.756 25638 2123 1 4 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.073 -0.004 25638 2124 1 4 . 1 1 48 48 LEU C C 48 179.839 179.839 178.663 1.176 25638 2125 1 4 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.567 -0.254 25638 2126 1 4 . 1 1 48 48 LEU CB C 48 42.225 42.225 42.424 -0.199 25638 2127 1 4 . 1 1 48 48 LEU H H 48 8.539 8.539 8.473 0.066 25638 2128 1 4 . 1 1 49 49 ILE N N 49 119.523 119.523 117.133 2.390 25638 2129 1 4 . 1 1 49 49 ILE HA H 49 3.970 3.970 3.998 -0.028 25638 2130 1 4 . 1 1 49 49 ILE C C 49 178.188 178.188 177.581 0.607 25638 2131 1 4 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.285 0.926 25638 2132 1 4 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.307 0.688 25638 2133 1 4 . 1 1 49 49 ILE H H 49 8.516 8.516 8.399 0.117 25638 2134 1 4 . 1 1 50 50 LYS N N 50 118.622 118.622 120.261 -1.639 25638 2135 1 4 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.123 0.070 25638 2136 1 4 . 1 1 50 50 LYS C C 50 181.391 181.391 178.908 2.483 25638 2137 1 4 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.569 -0.022 25638 2138 1 4 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.147 0.443 25638 2139 1 4 . 1 1 50 50 LYS H H 50 7.522 7.522 7.540 -0.018 25638 2140 1 4 . 1 1 51 51 ILE N N 51 119.288 119.288 119.203 0.085 25638 2141 1 4 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.639 -0.190 25638 2142 1 4 . 1 1 51 51 ILE C C 51 178.384 178.384 177.828 0.556 25638 2143 1 4 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.505 0.262 25638 2144 1 4 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.872 1.108 25638 2145 1 4 . 1 1 51 51 ILE H H 51 8.107 8.107 8.261 -0.154 25638 2146 1 4 . 1 1 52 52 GLY N N 52 108.211 108.211 106.382 1.829 25638 2147 1 4 . 1 1 52 52 GLY C C 52 178.168 178.168 174.954 3.214 25638 2148 1 4 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.444 0.620 25638 2149 1 4 . 1 1 52 52 GLY H H 52 9.224 9.224 8.166 1.058 25638 2150 1 4 . 1 1 53 53 ASP N N 53 124.013 124.013 123.106 0.907 25638 2151 1 4 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.441 0.093 25638 2152 1 4 . 1 1 53 53 ASP C C 53 179.976 179.976 178.004 1.972 25638 2153 1 4 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.289 0.339 25638 2154 1 4 . 1 1 53 53 ASP CB C 53 39.282 39.282 41.092 -1.810 25638 2155 1 4 . 1 1 53 53 ASP H H 53 9.091 9.091 8.340 0.751 25638 2156 1 4 . 1 1 54 54 HIS N N 54 121.598 121.598 118.150 3.448 25638 2157 1 4 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.317 0.089 25638 2158 1 4 . 1 1 54 54 HIS C C 54 178.982 178.982 178.130 0.852 25638 2159 1 4 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.574 0.886 25638 2160 1 4 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.947 1.620 25638 2161 1 4 . 1 1 54 54 HIS H H 54 7.664 7.664 7.986 -0.322 25638 2162 1 4 . 1 1 55 55 ILE N N 55 121.892 121.892 121.142 0.750 25638 2163 1 4 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.481 -0.297 25638 2164 1 4 . 1 1 55 55 ILE C C 55 178.188 178.188 177.588 0.600 25638 2165 1 4 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.973 1.704 25638 2166 1 4 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.476 -0.232 25638 2167 1 4 . 1 1 55 55 ILE H H 55 8.255 8.255 8.249 0.006 25638 2168 1 4 . 1 1 56 56 THR N N 56 115.458 115.458 116.033 -0.575 25638 2169 1 4 . 1 1 56 56 THR HA H 56 3.759 3.759 3.885 -0.126 25638 2170 1 4 . 1 1 56 56 THR C C 56 180.195 180.195 176.902 3.293 25638 2171 1 4 . 1 1 56 56 THR CA C 56 67.551 67.551 66.942 0.609 25638 2172 1 4 . 1 1 56 56 THR CB C 56 68.756 68.756 68.692 0.064 25638 2173 1 4 . 1 1 56 56 THR H H 56 8.047 8.047 7.726 0.321 25638 2174 1 4 . 1 1 57 57 GLU N N 57 121.544 121.544 119.827 1.717 25638 2175 1 4 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.155 -0.201 25638 2176 1 4 . 1 1 57 57 GLU C C 57 180.979 180.979 177.745 3.234 25638 2177 1 4 . 1 1 57 57 GLU CA C 57 59.379 59.379 58.502 0.877 25638 2178 1 4 . 1 1 57 57 GLU CB C 57 28.740 28.740 28.973 -0.233 25638 2179 1 4 . 1 1 57 57 GLU H H 57 7.591 7.591 8.500 -0.909 25638 2180 1 4 . 1 1 58 58 CYS N N 58 118.970 118.970 117.347 1.623 25638 2181 1 4 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.084 -0.144 25638 2182 1 4 . 1 1 58 58 CYS C C 58 178.089 178.089 176.920 1.169 25638 2183 1 4 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.255 0.967 25638 2184 1 4 . 1 1 58 58 CYS CB C 58 26.562 26.562 27.981 -1.419 25638 2185 1 4 . 1 1 58 58 CYS H H 58 8.206 8.206 7.557 0.649 25638 2186 1 4 . 1 1 59 59 LEU N N 59 116.873 116.873 120.656 -3.783 25638 2187 1 4 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.052 0.199 25638 2188 1 4 . 1 1 59 59 LEU C C 59 179.033 179.033 178.801 0.232 25638 2189 1 4 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.349 -1.310 25638 2190 1 4 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.709 -0.673 25638 2191 1 4 . 1 1 59 59 LEU H H 59 7.726 7.726 8.123 -0.397 25638 2192 1 4 . 1 1 60 60 LYS N N 60 117.911 117.911 117.738 0.173 25638 2193 1 4 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.073 0.058 25638 2194 1 4 . 1 1 60 60 LYS C C 60 177.912 177.912 177.277 0.635 25638 2195 1 4 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.189 0.348 25638 2196 1 4 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.653 0.737 25638 2197 1 4 . 1 1 60 60 LYS H H 60 7.298 7.298 7.945 -0.647 25638 2198 1 4 . 1 1 61 61 GLU N N 61 115.507 115.507 117.439 -1.932 25638 2199 1 4 . 1 1 61 61 GLU HA H 61 3.889 3.889 4.019 -0.130 25638 2200 1 4 . 1 1 61 61 GLU C C 61 176.576 176.576 176.942 -0.366 25638 2201 1 4 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.473 -0.422 25638 2202 1 4 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.936 -0.202 25638 2203 1 4 . 1 1 61 61 GLU H H 61 7.084 7.084 7.335 -0.251 25638 2204 1 4 . 1 1 62 62 TYR N N 62 118.581 118.581 119.155 -0.574 25638 2205 1 4 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.472 0.234 25638 2206 1 4 . 1 1 62 62 TYR C C 62 175.935 175.935 176.420 -0.485 25638 2207 1 4 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.393 -0.246 25638 2208 1 4 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.884 1.501 25638 2209 1 4 . 1 1 62 62 TYR H H 62 7.387 7.387 7.356 0.031 25638 2210 1 4 . 1 1 63 63 THR N N 63 109.064 109.064 113.184 -4.120 25638 2211 1 4 . 1 1 63 63 THR HA H 63 4.507 4.507 4.276 0.231 25638 2212 1 4 . 1 1 63 63 THR C C 63 175.888 175.888 175.138 0.750 25638 2213 1 4 . 1 1 63 63 THR CA C 63 61.684 61.684 62.761 -1.077 25638 2214 1 4 . 1 1 63 63 THR CB C 63 70.092 70.092 69.210 0.882 25638 2215 1 4 . 1 1 63 63 THR H H 63 8.471 8.471 8.310 0.161 25638 2216 1 4 . 1 1 64 64 ASN N N 64 123.204 123.204 121.361 1.843 25638 2217 1 4 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.877 0.294 25638 2218 1 4 . 1 1 64 64 ASN C C 64 175.495 175.495 175.538 -0.043 25638 2219 1 4 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.197 -1.060 25638 2220 1 4 . 1 1 64 64 ASN CB C 64 39.680 39.680 39.103 0.577 25638 2221 1 4 . 1 1 64 64 ASN H H 64 7.993 7.993 8.274 -0.281 25638 2222 1 4 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.267 0.003 25638 2223 1 4 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.490 0.202 25638 2224 1 4 . 1 1 65 65 PRO CB C 65 32.399 32.399 31.963 0.436 25638 2225 1 4 . 1 1 66 66 GLU N N 66 118.060 118.060 117.163 0.897 25638 2226 1 4 . 1 1 66 66 GLU HA H 66 4.132 4.132 3.965 0.167 25638 2227 1 4 . 1 1 66 66 GLU C C 66 180.409 180.409 179.172 1.237 25638 2228 1 4 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.942 -0.568 25638 2229 1 4 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.573 0.230 25638 2230 1 4 . 1 1 66 66 GLU H H 66 8.297 8.297 8.974 -0.677 25638 2231 1 4 . 1 1 67 67 GLN N N 67 120.531 120.531 118.730 1.801 25638 2232 1 4 . 1 1 67 67 GLN HA H 67 4.167 4.167 4.052 0.115 25638 2233 1 4 . 1 1 67 67 GLN C C 67 179.072 179.072 178.538 0.534 25638 2234 1 4 . 1 1 67 67 GLN CA C 67 58.828 58.828 58.861 -0.033 25638 2235 1 4 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.900 0.343 25638 2236 1 4 . 1 1 67 67 GLN H H 67 7.738 7.738 7.640 0.098 25638 2237 1 4 . 1 1 68 68 ILE N N 68 119.632 119.632 118.287 1.345 25638 2238 1 4 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.899 -0.351 25638 2239 1 4 . 1 1 68 68 ILE C C 68 178.109 178.109 177.834 0.275 25638 2240 1 4 . 1 1 68 68 ILE CA C 68 66.597 66.597 64.865 1.732 25638 2241 1 4 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.355 1.584 25638 2242 1 4 . 1 1 68 68 ILE H H 68 7.956 7.956 8.197 -0.241 25638 2243 1 4 . 1 1 69 69 LYS N N 69 117.236 117.236 119.931 -2.695 25638 2244 1 4 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.997 -0.068 25638 2245 1 4 . 1 1 69 69 LYS C C 69 180.271 180.271 178.694 1.577 25638 2246 1 4 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.343 0.578 25638 2247 1 4 . 1 1 69 69 LYS CB C 69 32.607 32.607 31.863 0.744 25638 2248 1 4 . 1 1 69 69 LYS H H 69 7.665 7.665 8.260 -0.595 25638 2249 1 4 . 1 1 70 70 GLN N N 70 118.748 118.748 120.996 -2.248 25638 2250 1 4 . 1 1 70 70 GLN HA H 70 3.855 3.855 3.925 -0.070 25638 2251 1 4 . 1 1 70 70 GLN C C 70 179.131 179.131 178.077 1.054 25638 2252 1 4 . 1 1 70 70 GLN CA C 70 58.252 58.252 59.147 -0.895 25638 2253 1 4 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.633 0.044 25638 2254 1 4 . 1 1 70 70 GLN H H 70 7.787 7.787 7.936 -0.149 25638 2255 1 4 . 1 1 71 71 TRP N N 71 118.896 118.896 119.191 -0.295 25638 2256 1 4 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.283 -0.240 25638 2257 1 4 . 1 1 71 71 TRP C C 71 178.679 178.679 178.758 -0.079 25638 2258 1 4 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.140 1.809 25638 2259 1 4 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.300 -1.056 25638 2260 1 4 . 1 1 71 71 TRP H H 71 8.374 8.374 8.391 -0.017 25638 2261 1 4 . 1 1 72 72 ARG N N 72 122.698 122.698 119.016 3.682 25638 2262 1 4 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.917 -0.098 25638 2263 1 4 . 1 1 72 72 ARG C C 72 178.561 178.561 178.741 -0.180 25638 2264 1 4 . 1 1 72 72 ARG CA C 72 61.032 61.032 60.105 0.927 25638 2265 1 4 . 1 1 72 72 ARG CB C 72 30.269 30.269 29.920 0.349 25638 2266 1 4 . 1 1 72 72 ARG H H 72 8.808 8.808 8.477 0.331 25638 2267 1 4 . 1 1 73 73 LYS N N 73 116.946 116.946 119.160 -2.214 25638 2268 1 4 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.068 0.112 25638 2269 1 4 . 1 1 73 73 LYS C C 73 179.622 179.622 178.541 1.081 25638 2270 1 4 . 1 1 73 73 LYS CA C 73 59.535 59.535 60.273 -0.738 25638 2271 1 4 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.483 -0.768 25638 2272 1 4 . 1 1 73 73 LYS H H 73 7.380 7.380 7.762 -0.382 25638 2273 1 4 . 1 1 74 74 ASN N N 74 116.434 116.434 118.801 -2.367 25638 2274 1 4 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.406 -0.129 25638 2275 1 4 . 1 1 74 74 ASN C C 74 178.148 178.148 177.681 0.467 25638 2276 1 4 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.278 -0.415 25638 2277 1 4 . 1 1 74 74 ASN CB C 74 38.034 38.034 37.967 0.067 25638 2278 1 4 . 1 1 74 74 ASN H H 74 8.309 8.309 8.435 -0.126 25638 2279 1 4 . 1 1 75 75 LEU N N 75 118.967 118.967 120.852 -1.885 25638 2280 1 4 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.207 -0.082 25638 2281 1 4 . 1 1 75 75 LEU C C 75 180.251 180.251 179.046 1.205 25638 2282 1 4 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.388 0.439 25638 2283 1 4 . 1 1 75 75 LEU CB C 75 40.984 40.984 40.867 0.117 25638 2284 1 4 . 1 1 75 75 LEU H H 75 8.635 8.635 8.435 0.200 25638 2285 1 4 . 1 1 76 76 TRP N N 76 118.544 118.544 119.540 -0.996 25638 2286 1 4 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.292 0.287 25638 2287 1 4 . 1 1 76 76 TRP C C 76 180.900 180.900 179.324 1.576 25638 2288 1 4 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.340 1.076 25638 2289 1 4 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.422 -0.324 25638 2290 1 4 . 1 1 76 76 TRP H H 76 8.006 8.006 7.400 0.606 25638 2291 1 4 . 1 1 77 77 ILE N N 77 121.982 121.982 119.222 2.760 25638 2292 1 4 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.713 0.118 25638 2293 1 4 . 1 1 77 77 ILE C C 77 181.254 181.254 177.873 3.381 25638 2294 1 4 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.184 0.857 25638 2295 1 4 . 1 1 77 77 ILE CB C 77 37.350 37.350 37.924 -0.574 25638 2296 1 4 . 1 1 77 77 ILE H H 77 8.893 8.893 8.617 0.276 25638 2297 1 4 . 1 1 78 78 PHE N N 78 123.458 123.458 121.532 1.926 25638 2298 1 4 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.201 -0.157 25638 2299 1 4 . 1 1 78 78 PHE C C 78 177.618 177.618 177.541 0.077 25638 2300 1 4 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.681 1.399 25638 2301 1 4 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.159 -0.449 25638 2302 1 4 . 1 1 78 78 PHE H H 78 8.753 8.753 8.240 0.513 25638 2303 1 4 . 1 1 79 79 VAL N N 79 117.726 117.726 119.462 -1.736 25638 2304 1 4 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.610 -0.131 25638 2305 1 4 . 1 1 79 79 VAL C C 79 178.876 178.876 178.426 0.450 25638 2306 1 4 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.489 0.324 25638 2307 1 4 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.326 0.246 25638 2308 1 4 . 1 1 79 79 VAL H H 79 8.232 8.232 8.521 -0.289 25638 2309 1 4 . 1 1 80 80 SER N N 80 114.568 114.568 115.568 -1.000 25638 2310 1 4 . 1 1 80 80 SER HA H 80 4.339 4.339 4.437 -0.098 25638 2311 1 4 . 1 1 80 80 SER C C 80 176.261 176.261 176.402 -0.141 25638 2312 1 4 . 1 1 80 80 SER CA C 80 61.337 61.337 61.730 -0.393 25638 2313 1 4 . 1 1 80 80 SER CB C 80 62.712 62.712 62.937 -0.225 25638 2314 1 4 . 1 1 80 80 SER H H 80 8.353 8.353 8.279 0.074 25638 2315 1 4 . 1 1 81 81 LYS N N 81 121.180 121.180 118.999 2.181 25638 2316 1 4 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.179 0.019 25638 2317 1 4 . 1 1 81 81 LYS C C 81 178.305 178.305 177.193 1.112 25638 2318 1 4 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.087 -0.983 25638 2319 1 4 . 1 1 81 81 LYS CB C 81 30.659 30.659 31.828 -1.169 25638 2320 1 4 . 1 1 81 81 LYS H H 81 7.481 7.481 7.448 0.033 25638 2321 1 4 . 1 1 82 82 PHE N N 82 117.950 117.950 118.964 -1.014 25638 2322 1 4 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.973 -0.576 25638 2323 1 4 . 1 1 82 82 PHE C C 82 174.787 174.787 174.905 -0.118 25638 2324 1 4 . 1 1 82 82 PHE CA C 82 58.398 58.398 57.772 0.626 25638 2325 1 4 . 1 1 82 82 PHE CB C 82 38.937 38.937 39.040 -0.103 25638 2326 1 4 . 1 1 82 82 PHE H H 82 8.256 8.256 8.201 0.055 25638 2327 1 4 . 1 1 83 83 THR N N 83 109.995 109.995 112.221 -2.226 25638 2328 1 4 . 1 1 83 83 THR HA H 83 4.988 4.988 4.750 0.238 25638 2329 1 4 . 1 1 83 83 THR C C 83 174.138 174.138 173.249 0.889 25638 2330 1 4 . 1 1 83 83 THR CA C 83 59.609 59.609 59.857 -0.248 25638 2331 1 4 . 1 1 83 83 THR CB C 83 71.080 71.080 70.287 0.793 25638 2332 1 4 . 1 1 83 83 THR H H 83 7.665 7.665 7.411 0.254 25638 2333 1 4 . 1 1 84 84 GLU N N 84 119.416 119.416 120.173 -0.757 25638 2334 1 4 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.424 -0.029 25638 2335 1 4 . 1 1 84 84 GLU C C 84 177.912 177.912 176.452 1.460 25638 2336 1 4 . 1 1 84 84 GLU CA C 84 56.496 56.496 56.481 0.015 25638 2337 1 4 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.763 -0.241 25638 2338 1 4 . 1 1 84 84 GLU H H 84 8.409 8.409 8.525 -0.116 25638 2339 1 4 . 1 1 85 85 PHE N N 85 120.265 120.265 121.914 -1.649 25638 2340 1 4 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.523 0.368 25638 2341 1 4 . 1 1 85 85 PHE C C 85 175.809 175.809 175.478 0.331 25638 2342 1 4 . 1 1 85 85 PHE CA C 85 56.109 56.109 56.344 -0.235 25638 2343 1 4 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.103 2.085 25638 2344 1 4 . 1 1 85 85 PHE H H 85 8.210 8.210 7.321 0.889 25638 2345 1 4 . 1 1 86 86 ASP N N 86 118.128 118.128 124.313 -6.185 25638 2346 1 4 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.478 0.258 25638 2347 1 4 . 1 1 86 86 ASP C C 86 176.986 176.986 177.478 -0.492 25638 2348 1 4 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.454 -2.271 25638 2349 1 4 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.924 -0.391 25638 2350 1 4 . 1 1 86 86 ASP H H 86 8.119 8.119 8.699 -0.580 25638 2351 1 4 . 1 1 87 87 ALA N N 87 121.912 121.912 128.316 -6.404 25638 2352 1 4 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.096 -0.107 25638 2353 1 4 . 1 1 87 87 ALA C C 87 180.378 180.378 179.502 0.876 25638 2354 1 4 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.328 0.748 25638 2355 1 4 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.938 1.269 25638 2356 1 4 . 1 1 87 87 ALA H H 87 8.757 8.757 8.589 0.168 25638 2357 1 4 . 1 1 88 88 ARG N N 88 117.072 117.072 119.146 -2.074 25638 2358 1 4 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.950 0.006 25638 2359 1 4 . 1 1 88 88 ARG C C 88 179.975 179.975 177.822 2.153 25638 2360 1 4 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.602 -0.350 25638 2361 1 4 . 1 1 88 88 ARG CB C 88 29.613 29.613 30.257 -0.644 25638 2362 1 4 . 1 1 88 88 ARG H H 88 8.147 8.147 8.728 -0.581 25638 2363 1 4 . 1 1 89 89 LYS N N 89 121.809 121.809 119.425 2.384 25638 2364 1 4 . 1 1 89 89 LYS HA H 89 3.909 3.909 3.934 -0.025 25638 2365 1 4 . 1 1 89 89 LYS C C 89 179.505 179.505 178.763 0.742 25638 2366 1 4 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.535 0.451 25638 2367 1 4 . 1 1 89 89 LYS CB C 89 32.334 32.334 31.448 0.886 25638 2368 1 4 . 1 1 89 89 LYS H H 89 8.022 8.022 7.703 0.319 25638 2369 1 4 . 1 1 90 90 LEU N N 90 118.429 118.429 121.470 -3.041 25638 2370 1 4 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.819 -0.075 25638 2371 1 4 . 1 1 90 90 LEU C C 90 178.069 178.069 177.808 0.261 25638 2372 1 4 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.128 -0.085 25638 2373 1 4 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.671 0.791 25638 2374 1 4 . 1 1 90 90 LEU H H 90 8.139 8.139 8.537 -0.398 25638 2375 1 4 . 1 1 91 91 HIS N N 91 117.214 117.214 118.449 -1.235 25638 2376 1 4 . 1 1 91 91 HIS HA H 91 3.979 3.979 2.876 1.103 25638 2377 1 4 . 1 1 91 91 HIS C C 91 178.069 178.069 176.840 1.229 25638 2378 1 4 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.901 -0.723 25638 2379 1 4 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.284 0.144 25638 2380 1 4 . 1 1 91 91 HIS H H 91 7.379 7.379 7.313 0.066 25638 2381 1 4 . 1 1 92 92 LYS N N 92 118.466 118.466 119.691 -1.225 25638 2382 1 4 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.722 -0.087 25638 2383 1 4 . 1 1 92 92 LYS C C 92 180.310 180.310 178.636 1.674 25638 2384 1 4 . 1 1 92 92 LYS CA C 92 59.924 59.924 58.825 1.099 25638 2385 1 4 . 1 1 92 92 LYS CB C 92 32.365 32.365 31.773 0.592 25638 2386 1 4 . 1 1 92 92 LYS H H 92 7.599 7.599 7.373 0.226 25638 2387 1 4 . 1 1 93 93 LEU N N 93 120.752 120.752 120.502 0.250 25638 2388 1 4 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.864 0.119 25638 2389 1 4 . 1 1 93 93 LEU C C 93 181.269 181.269 178.443 2.826 25638 2390 1 4 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.600 -0.600 25638 2391 1 4 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.601 0.738 25638 2392 1 4 . 1 1 93 93 LEU H H 93 8.351 8.351 7.978 0.373 25638 2393 1 4 . 1 1 94 94 TYR N N 94 122.311 122.311 119.890 2.421 25638 2394 1 4 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.014 0.122 25638 2395 1 4 . 1 1 94 94 TYR C C 94 176.789 176.789 177.570 -0.781 25638 2396 1 4 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.990 -0.690 25638 2397 1 4 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.429 0.149 25638 2398 1 4 . 1 1 94 94 TYR H H 94 8.290 8.290 8.656 -0.366 25638 2399 1 4 . 1 1 95 95 LYS N N 95 117.851 117.851 118.781 -0.930 25638 2400 1 4 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.741 -0.315 25638 2401 1 4 . 1 1 95 95 LYS C C 95 180.684 180.684 179.129 1.555 25638 2402 1 4 . 1 1 95 95 LYS CA C 95 59.379 59.379 60.007 -0.628 25638 2403 1 4 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.271 -1.023 25638 2404 1 4 . 1 1 95 95 LYS H H 95 8.180 8.180 8.115 0.065 25638 2405 1 4 . 1 1 96 96 HIS N N 96 117.611 117.611 117.958 -0.347 25638 2406 1 4 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.280 -0.067 25638 2407 1 4 . 1 1 96 96 HIS C C 96 178.266 178.266 177.268 0.998 25638 2408 1 4 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.751 -0.477 25638 2409 1 4 . 1 1 96 96 HIS CB C 96 30.203 30.203 30.123 0.080 25638 2410 1 4 . 1 1 96 96 HIS H H 96 8.049 8.049 8.075 -0.026 25638 2411 1 4 . 1 1 97 97 ALA N N 97 122.617 122.617 122.690 -0.073 25638 2412 1 4 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.018 0.073 25638 2413 1 4 . 1 1 97 97 ALA C C 97 181.352 181.352 179.658 1.694 25638 2414 1 4 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.237 -0.592 25638 2415 1 4 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.159 -0.390 25638 2416 1 4 . 1 1 97 97 ALA H H 97 8.104 8.104 8.179 -0.075 25638 2417 1 4 . 1 1 98 98 ILE N N 98 111.626 111.626 118.476 -6.850 25638 2418 1 4 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.572 0.537 25638 2419 1 4 . 1 1 98 98 ILE C C 98 178.561 178.561 177.297 1.264 25638 2420 1 4 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.099 -1.369 25638 2421 1 4 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.843 -0.197 25638 2422 1 4 . 1 1 98 98 ILE H H 98 7.636 7.636 7.756 -0.120 25638 2423 1 4 . 1 1 99 99 LYS N N 99 124.158 124.158 120.249 3.909 25638 2424 1 4 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.862 0.183 25638 2425 1 4 . 1 1 99 99 LYS C C 99 179.111 179.111 179.215 -0.104 25638 2426 1 4 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.212 -0.142 25638 2427 1 4 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.102 0.070 25638 2428 1 4 . 1 1 99 99 LYS H H 99 7.359 7.359 7.796 -0.437 25638 2429 1 4 . 1 1 100 100 LYS N N 100 118.333 118.333 118.708 -0.375 25638 2430 1 4 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.007 0.136 25638 2431 1 4 . 1 1 100 100 LYS C C 100 179.111 179.111 179.014 0.097 25638 2432 1 4 . 1 1 100 100 LYS CA C 100 57.212 57.212 59.074 -1.862 25638 2433 1 4 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.284 -0.542 25638 2434 1 4 . 1 1 100 100 LYS H H 100 7.937 7.937 8.120 -0.183 25638 2435 1 4 . 1 1 101 101 ARG N N 101 121.125 121.125 117.010 4.115 25638 2436 1 4 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.155 -0.026 25638 2437 1 4 . 1 1 101 101 ARG C C 101 178.541 178.541 176.869 1.672 25638 2438 1 4 . 1 1 101 101 ARG CA C 101 58.166 58.166 57.796 0.370 25638 2439 1 4 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.518 0.073 25638 2440 1 4 . 1 1 101 101 ARG H H 101 7.895 7.895 7.312 0.583 25638 2441 1 4 . 1 1 102 102 GLN N N 102 119.756 119.756 117.581 2.175 25638 2442 1 4 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.445 -0.238 25638 2443 1 4 . 1 1 102 102 GLN C C 102 178.129 178.129 174.051 4.078 25638 2444 1 4 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.094 1.818 25638 2445 1 4 . 1 1 102 102 GLN CB C 102 28.921 28.921 29.234 -0.313 25638 2446 1 4 . 1 1 102 102 GLN H H 102 8.167 8.167 7.535 0.632 25638 2447 1 4 . 1 1 103 103 GLU N N 103 120.553 120.553 124.788 -4.235 25638 2448 1 4 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.204 -0.004 25638 2449 1 4 . 1 1 103 103 GLU C C 103 178.286 178.286 175.693 2.593 25638 2450 1 4 . 1 1 103 103 GLU CA C 103 57.505 57.505 57.165 0.340 25638 2451 1 4 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.970 -0.046 25638 2452 1 4 . 1 1 103 103 GLU H H 103 8.189 8.189 8.571 -0.382 25638 2453 1 4 . 1 1 104 104 SER N N 104 115.381 115.381 118.668 -3.287 25638 2454 1 4 . 1 1 104 104 SER HA H 104 4.431 4.431 4.500 -0.069 25638 2455 1 4 . 1 1 104 104 SER C C 104 175.750 175.750 173.314 2.436 25638 2456 1 4 . 1 1 104 104 SER CA C 104 59.154 59.154 57.718 1.436 25638 2457 1 4 . 1 1 104 104 SER CB C 104 63.456 63.456 64.492 -1.036 25638 2458 1 4 . 1 1 104 104 SER H H 104 8.099 8.099 8.373 -0.274 25638 2459 1 4 . 1 1 105 105 GLN N N 105 121.635 121.635 121.535 0.100 25638 2460 1 4 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.711 -0.376 25638 2461 1 4 . 1 1 105 105 GLN C C 105 177.008 177.008 174.803 2.205 25638 2462 1 4 . 1 1 105 105 GLN CA C 105 56.053 56.053 55.382 0.671 25638 2463 1 4 . 1 1 105 105 GLN CB C 105 29.128 29.128 31.085 -1.957 25638 2464 1 4 . 1 1 105 105 GLN H H 105 8.170 8.170 8.380 -0.210 25638 2465 1 4 . 1 1 106 106 GLN N N 106 120.850 120.850 118.887 1.963 25638 2466 1 4 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.519 -0.188 25638 2467 1 4 . 1 1 106 106 GLN C C 106 176.713 176.713 174.848 1.865 25638 2468 1 4 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.569 0.382 25638 2469 1 4 . 1 1 106 106 GLN CB C 106 29.254 29.254 30.344 -1.090 25638 2470 1 4 . 1 1 106 106 GLN H H 106 8.281 8.281 8.464 -0.183 25638 2471 1 4 . 1 1 107 107 ASN N N 107 120.271 120.271 122.985 -2.714 25638 2472 1 4 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.493 0.297 25638 2473 1 4 . 1 1 107 107 ASN C C 107 175.337 175.337 174.337 1.000 25638 2474 1 4 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.781 -0.428 25638 2475 1 4 . 1 1 107 107 ASN CB C 107 39.094 39.094 37.350 1.744 25638 2476 1 4 . 1 1 107 107 ASN H H 107 8.434 8.434 8.942 -0.508 25638 2477 1 5 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.356 0.089 25638 2478 1 5 . 1 1 2 2 PRO C C 2 178.089 178.089 177.546 0.543 25638 2479 1 5 . 1 1 2 2 PRO CA C 2 63.306 63.306 64.524 -1.218 25638 2480 1 5 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.206 0.262 25638 2481 1 5 . 1 1 3 3 LEU N N 3 122.239 122.239 118.452 3.787 25638 2482 1 5 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.406 -0.109 25638 2483 1 5 . 1 1 3 3 LEU C C 3 178.876 178.876 176.360 2.516 25638 2484 1 5 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.448 1.081 25638 2485 1 5 . 1 1 3 3 LEU CB C 3 42.150 42.150 41.780 0.370 25638 2486 1 5 . 1 1 3 3 LEU H H 3 8.522 8.522 7.868 0.654 25638 2487 1 5 . 1 1 4 4 GLY N N 4 109.572 109.572 106.439 3.133 25638 2488 1 5 . 1 1 4 4 GLY C C 4 174.630 174.630 173.799 0.831 25638 2489 1 5 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.843 0.490 25638 2490 1 5 . 1 1 4 4 GLY H H 4 8.349 8.349 7.622 0.727 25638 2491 1 5 . 1 1 5 5 SER N N 5 115.481 115.481 118.505 -3.024 25638 2492 1 5 . 1 1 5 5 SER HA H 5 4.513 4.513 4.605 -0.092 25638 2493 1 5 . 1 1 5 5 SER C C 5 174.667 174.667 173.848 0.819 25638 2494 1 5 . 1 1 5 5 SER CA C 5 57.801 57.801 58.283 -0.482 25638 2495 1 5 . 1 1 5 5 SER CB C 5 64.536 64.536 63.391 1.145 25638 2496 1 5 . 1 1 5 5 SER H H 5 8.119 8.119 8.636 -0.517 25638 2497 1 5 . 1 1 6 6 LEU N N 6 121.895 121.895 119.516 2.379 25638 2498 1 5 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.052 0.602 25638 2499 1 5 . 1 1 6 6 LEU C C 6 177.932 177.932 175.328 2.604 25638 2500 1 5 . 1 1 6 6 LEU CA C 6 53.922 53.922 55.395 -1.473 25638 2501 1 5 . 1 1 6 6 LEU CB C 6 44.606 44.606 41.566 3.040 25638 2502 1 5 . 1 1 6 6 LEU H H 6 8.319 8.319 7.979 0.340 25638 2503 1 5 . 1 1 7 7 ASP N N 7 121.978 121.978 122.532 -0.554 25638 2504 1 5 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.552 0.054 25638 2505 1 5 . 1 1 7 7 ASP C C 7 176.477 176.477 177.291 -0.814 25638 2506 1 5 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.380 -1.162 25638 2507 1 5 . 1 1 7 7 ASP CB C 7 40.958 40.958 41.992 -1.034 25638 2508 1 5 . 1 1 7 7 ASP H H 7 8.318 8.318 8.235 0.083 25638 2509 1 5 . 1 1 8 8 GLN N N 8 119.885 119.885 121.011 -1.126 25638 2510 1 5 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.019 0.067 25638 2511 1 5 . 1 1 8 8 GLN C C 8 179.710 179.710 178.029 1.681 25638 2512 1 5 . 1 1 8 8 GLN CA C 8 59.825 59.825 60.238 -0.413 25638 2513 1 5 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.817 -0.333 25638 2514 1 5 . 1 1 8 8 GLN H H 8 8.746 8.746 8.739 0.007 25638 2515 1 5 . 1 1 9 9 LYS N N 9 120.863 120.863 118.579 2.284 25638 2516 1 5 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.070 0.127 25638 2517 1 5 . 1 1 9 9 LYS C C 9 180.333 180.333 178.798 1.535 25638 2518 1 5 . 1 1 9 9 LYS CA C 9 59.374 59.374 60.057 -0.683 25638 2519 1 5 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.373 0.584 25638 2520 1 5 . 1 1 9 9 LYS H H 9 8.454 8.454 8.778 -0.324 25638 2521 1 5 . 1 1 10 10 THR N N 10 118.654 118.654 116.585 2.069 25638 2522 1 5 . 1 1 10 10 THR HA H 10 3.985 3.985 4.338 -0.353 25638 2523 1 5 . 1 1 10 10 THR C C 10 177.904 177.904 176.773 1.131 25638 2524 1 5 . 1 1 10 10 THR CA C 10 67.618 67.618 66.672 0.946 25638 2525 1 5 . 1 1 10 10 THR CB C 10 67.523 67.523 68.501 -0.978 25638 2526 1 5 . 1 1 10 10 THR H H 10 8.531 8.531 7.964 0.567 25638 2527 1 5 . 1 1 11 11 PHE N N 11 123.876 123.876 122.527 1.349 25638 2528 1 5 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.282 -0.288 25638 2529 1 5 . 1 1 11 11 PHE C C 11 177.676 177.676 176.802 0.874 25638 2530 1 5 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.126 2.093 25638 2531 1 5 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.095 0.251 25638 2532 1 5 . 1 1 11 11 PHE H H 11 9.296 9.296 8.833 0.463 25638 2533 1 5 . 1 1 12 12 SER N N 12 114.219 114.219 116.727 -2.508 25638 2534 1 5 . 1 1 12 12 SER HA H 12 4.151 4.151 4.038 0.113 25638 2535 1 5 . 1 1 12 12 SER C C 12 177.922 177.922 176.848 1.074 25638 2536 1 5 . 1 1 12 12 SER CA C 12 62.899 62.899 62.824 0.075 25638 2537 1 5 . 1 1 12 12 SER CB C 12 63.194 63.194 63.188 0.006 25638 2538 1 5 . 1 1 12 12 SER H H 12 8.306 8.306 8.287 0.019 25638 2539 1 5 . 1 1 13 13 ILE N N 13 123.613 123.613 122.451 1.162 25638 2540 1 5 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.620 0.217 25638 2541 1 5 . 1 1 13 13 ILE C C 13 179.563 179.563 177.637 1.926 25638 2542 1 5 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.278 -0.178 25638 2543 1 5 . 1 1 13 13 ILE CB C 13 38.310 38.310 37.691 0.619 25638 2544 1 5 . 1 1 13 13 ILE H H 13 7.897 7.897 8.142 -0.245 25638 2545 1 5 . 1 1 14 14 CYS N N 14 118.125 118.125 119.283 -1.158 25638 2546 1 5 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.598 -0.047 25638 2547 1 5 . 1 1 14 14 CYS C C 14 176.010 176.010 176.505 -0.495 25638 2548 1 5 . 1 1 14 14 CYS CA C 14 64.572 64.572 63.292 1.280 25638 2549 1 5 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.482 1.239 25638 2550 1 5 . 1 1 14 14 CYS H H 14 8.329 8.329 8.478 -0.149 25638 2551 1 5 . 1 1 15 15 LYS N N 15 118.532 118.532 119.373 -0.841 25638 2552 1 5 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.712 -0.563 25638 2553 1 5 . 1 1 15 15 LYS C C 15 179.846 179.846 177.680 2.166 25638 2554 1 5 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.306 0.426 25638 2555 1 5 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.072 0.020 25638 2556 1 5 . 1 1 15 15 LYS H H 15 8.025 8.025 7.367 0.658 25638 2557 1 5 . 1 1 16 16 GLU N N 16 118.138 118.138 116.298 1.840 25638 2558 1 5 . 1 1 16 16 GLU HA H 16 4.027 4.027 3.972 0.055 25638 2559 1 5 . 1 1 16 16 GLU C C 16 180.959 180.959 178.938 2.021 25638 2560 1 5 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.610 0.532 25638 2561 1 5 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.756 -0.643 25638 2562 1 5 . 1 1 16 16 GLU H H 16 7.403 7.403 7.625 -0.222 25638 2563 1 5 . 1 1 17 17 ARG N N 17 117.969 117.969 117.297 0.672 25638 2564 1 5 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.096 -0.033 25638 2565 1 5 . 1 1 17 17 ARG C C 17 179.544 179.544 178.545 0.999 25638 2566 1 5 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.282 0.873 25638 2567 1 5 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.507 -0.540 25638 2568 1 5 . 1 1 17 17 ARG H H 17 8.325 8.325 7.996 0.329 25638 2569 1 5 . 1 1 18 18 MET N N 18 113.332 113.332 117.603 -4.271 25638 2570 1 5 . 1 1 18 18 MET HA H 18 4.561 4.561 4.478 0.083 25638 2571 1 5 . 1 1 18 18 MET C C 18 176.890 176.890 175.275 1.615 25638 2572 1 5 . 1 1 18 18 MET CA C 18 53.377 53.377 53.641 -0.264 25638 2573 1 5 . 1 1 18 18 MET CB C 18 29.724 29.724 29.805 -0.081 25638 2574 1 5 . 1 1 18 18 MET H H 18 7.718 7.718 8.129 -0.411 25638 2575 1 5 . 1 1 19 19 ARG N N 19 123.288 123.288 120.778 2.510 25638 2576 1 5 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.332 -0.181 25638 2577 1 5 . 1 1 19 19 ARG C C 19 176.556 176.556 176.645 -0.089 25638 2578 1 5 . 1 1 19 19 ARG CA C 19 61.133 61.133 61.166 -0.033 25638 2579 1 5 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.188 0.070 25638 2580 1 5 . 1 1 19 19 ARG H H 19 7.152 7.152 7.870 -0.718 25638 2581 1 5 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.192 0.151 25638 2582 1 5 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.433 0.564 25638 2583 1 5 . 1 1 20 20 PRO CB C 20 31.840 31.840 30.849 0.991 25638 2584 1 5 . 1 1 21 21 VAL N N 21 105.802 105.802 111.282 -5.480 25638 2585 1 5 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.016 0.805 25638 2586 1 5 . 1 1 21 21 VAL C C 21 176.261 176.261 176.965 -0.704 25638 2587 1 5 . 1 1 21 21 VAL CA C 21 59.103 59.103 61.484 -2.381 25638 2588 1 5 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.647 0.209 25638 2589 1 5 . 1 1 21 21 VAL H H 21 7.352 7.352 7.587 -0.235 25638 2590 1 5 . 1 1 22 22 LYS N N 22 122.802 122.802 122.012 0.790 25638 2591 1 5 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.726 0.038 25638 2592 1 5 . 1 1 22 22 LYS C C 22 178.758 178.758 178.376 0.382 25638 2593 1 5 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.270 0.062 25638 2594 1 5 . 1 1 22 22 LYS CB C 22 32.214 32.214 31.916 0.298 25638 2595 1 5 . 1 1 22 22 LYS H H 22 7.640 7.640 8.002 -0.362 25638 2596 1 5 . 1 1 23 23 ALA N N 23 120.067 120.067 120.483 -0.416 25638 2597 1 5 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.090 -0.015 25638 2598 1 5 . 1 1 23 23 ALA C C 23 180.998 180.998 179.556 1.442 25638 2599 1 5 . 1 1 23 23 ALA CA C 23 55.159 55.159 54.905 0.254 25638 2600 1 5 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.934 -0.020 25638 2601 1 5 . 1 1 23 23 ALA H H 23 8.571 8.571 8.405 0.166 25638 2602 1 5 . 1 1 24 24 ALA N N 24 121.068 121.068 122.256 -1.188 25638 2603 1 5 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.095 0.067 25638 2604 1 5 . 1 1 24 24 ALA C C 24 180.271 180.271 179.474 0.797 25638 2605 1 5 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.676 0.080 25638 2606 1 5 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.383 -0.190 25638 2607 1 5 . 1 1 24 24 ALA H H 24 7.320 7.320 7.465 -0.145 25638 2608 1 5 . 1 1 25 25 LEU N N 25 117.214 117.214 118.272 -1.058 25638 2609 1 5 . 1 1 25 25 LEU HA H 25 3.711 3.711 4.019 -0.308 25638 2610 1 5 . 1 1 25 25 LEU C C 25 179.524 179.524 178.304 1.220 25638 2611 1 5 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.979 -0.028 25638 2612 1 5 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.391 -0.761 25638 2613 1 5 . 1 1 25 25 LEU H H 25 7.698 7.698 8.302 -0.604 25638 2614 1 5 . 1 1 26 26 LYS N N 26 116.336 116.336 118.020 -1.684 25638 2615 1 5 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.004 0.159 25638 2616 1 5 . 1 1 26 26 LYS C C 26 179.308 179.308 179.200 0.108 25638 2617 1 5 . 1 1 26 26 LYS CA C 26 58.414 58.414 58.971 -0.557 25638 2618 1 5 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.780 -0.614 25638 2619 1 5 . 1 1 26 26 LYS H H 26 7.675 7.675 7.752 -0.077 25638 2620 1 5 . 1 1 27 27 GLN N N 27 116.118 116.118 118.877 -2.759 25638 2621 1 5 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.071 0.204 25638 2622 1 5 . 1 1 27 27 GLN C C 27 178.679 178.679 178.460 0.219 25638 2623 1 5 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.748 -1.942 25638 2624 1 5 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.386 1.634 25638 2625 1 5 . 1 1 27 27 GLN H H 27 7.520 7.520 8.348 -0.828 25638 2626 1 5 . 1 1 28 28 LEU N N 28 121.335 121.335 119.144 2.191 25638 2627 1 5 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.336 -0.183 25638 2628 1 5 . 1 1 28 28 LEU C C 28 178.168 178.168 179.040 -0.872 25638 2629 1 5 . 1 1 28 28 LEU CA C 28 58.042 58.042 56.958 1.084 25638 2630 1 5 . 1 1 28 28 LEU CB C 28 41.911 41.911 41.181 0.730 25638 2631 1 5 . 1 1 28 28 LEU H H 28 7.506 7.506 7.852 -0.346 25638 2632 1 5 . 1 1 29 29 ASP N N 29 117.486 117.486 118.430 -0.944 25638 2633 1 5 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.456 0.458 25638 2634 1 5 . 1 1 29 29 ASP C C 29 176.772 176.772 176.343 0.429 25638 2635 1 5 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.456 -2.330 25638 2636 1 5 . 1 1 29 29 ASP CB C 29 42.715 42.715 41.748 0.967 25638 2637 1 5 . 1 1 29 29 ASP H H 29 8.120 8.120 8.360 -0.240 25638 2638 1 5 . 1 1 30 30 ARG N N 30 119.107 119.107 120.013 -0.906 25638 2639 1 5 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.659 0.102 25638 2640 1 5 . 1 1 30 30 ARG C C 30 173.824 173.824 173.731 0.093 25638 2641 1 5 . 1 1 30 30 ARG CA C 30 53.231 53.231 54.185 -0.955 25638 2642 1 5 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.932 -0.621 25638 2643 1 5 . 1 1 30 30 ARG H H 30 7.701 7.701 7.393 0.308 25638 2644 1 5 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.866 -0.600 25638 2645 1 5 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.390 0.555 25638 2646 1 5 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.329 -0.315 25638 2647 1 5 . 1 1 32 32 GLU N N 32 122.391 122.391 120.145 2.246 25638 2648 1 5 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.190 -0.002 25638 2649 1 5 . 1 1 32 32 GLU C C 32 177.401 177.401 176.316 1.085 25638 2650 1 5 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.535 -0.146 25638 2651 1 5 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.193 -0.005 25638 2652 1 5 . 1 1 32 32 GLU H H 32 8.454 8.454 8.289 0.165 25638 2653 1 5 . 1 1 33 33 LYS N N 33 123.127 123.127 117.218 5.909 25638 2654 1 5 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.722 -0.546 25638 2655 1 5 . 1 1 33 33 LYS C C 33 178.482 178.482 177.502 0.980 25638 2656 1 5 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.096 1.031 25638 2657 1 5 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.154 -0.513 25638 2658 1 5 . 1 1 33 33 LYS H H 33 8.338 8.338 8.365 -0.027 25638 2659 1 5 . 1 1 34 34 GLY N N 34 109.507 109.507 111.276 -1.769 25638 2660 1 5 . 1 1 34 34 GLY C C 34 175.475 175.475 173.783 1.692 25638 2661 1 5 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.038 0.280 25638 2662 1 5 . 1 1 34 34 GLY H H 34 8.643 8.643 8.699 -0.056 25638 2663 1 5 . 1 1 35 35 LEU N N 35 120.392 120.392 119.242 1.150 25638 2664 1 5 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.742 -0.227 25638 2665 1 5 . 1 1 35 35 LEU C C 35 178.797 178.797 176.699 2.098 25638 2666 1 5 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.038 1.411 25638 2667 1 5 . 1 1 35 35 LEU CB C 35 43.116 43.116 44.321 -1.205 25638 2668 1 5 . 1 1 35 35 LEU H H 35 7.480 7.480 7.427 0.053 25638 2669 1 5 . 1 1 36 36 SER N N 36 118.629 118.629 116.217 2.412 25638 2670 1 5 . 1 1 36 36 SER HA H 36 4.471 4.471 4.526 -0.055 25638 2671 1 5 . 1 1 36 36 SER C C 36 175.632 175.632 175.668 -0.036 25638 2672 1 5 . 1 1 36 36 SER CA C 36 57.814 57.814 57.971 -0.157 25638 2673 1 5 . 1 1 36 36 SER CB C 36 64.678 64.678 63.923 0.755 25638 2674 1 5 . 1 1 36 36 SER H H 36 8.838 8.838 8.320 0.518 25638 2675 1 5 . 1 1 37 37 GLU N N 37 122.722 122.722 122.307 0.415 25638 2676 1 5 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.062 -0.048 25638 2677 1 5 . 1 1 37 37 GLU C C 37 179.976 179.976 179.147 0.829 25638 2678 1 5 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.657 0.920 25638 2679 1 5 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.615 -0.266 25638 2680 1 5 . 1 1 37 37 GLU H H 37 9.018 9.018 8.931 0.087 25638 2681 1 5 . 1 1 38 38 ARG N N 38 118.418 118.418 119.806 -1.388 25638 2682 1 5 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.181 -0.068 25638 2683 1 5 . 1 1 38 38 ARG C C 38 180.212 180.212 178.443 1.769 25638 2684 1 5 . 1 1 38 38 ARG CA C 38 59.448 59.448 59.286 0.162 25638 2685 1 5 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.047 -0.240 25638 2686 1 5 . 1 1 38 38 ARG H H 38 8.509 8.509 8.458 0.051 25638 2687 1 5 . 1 1 39 39 GLU N N 39 119.730 119.730 118.745 0.985 25638 2688 1 5 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.057 0.033 25638 2689 1 5 . 1 1 39 39 GLU C C 39 180.529 180.529 179.391 1.138 25638 2690 1 5 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.704 -0.811 25638 2691 1 5 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.866 1.691 25638 2692 1 5 . 1 1 39 39 GLU H H 39 7.761 7.761 8.694 -0.933 25638 2693 1 5 . 1 1 40 40 GLN N N 40 121.665 121.665 118.365 3.300 25638 2694 1 5 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.070 -0.026 25638 2695 1 5 . 1 1 40 40 GLN C C 40 179.760 179.760 178.513 1.247 25638 2696 1 5 . 1 1 40 40 GLN CA C 40 59.370 59.370 59.248 0.122 25638 2697 1 5 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.342 0.146 25638 2698 1 5 . 1 1 40 40 GLN H H 40 8.871 8.871 7.710 1.161 25638 2699 1 5 . 1 1 41 41 LEU N N 41 121.002 121.002 120.718 0.284 25638 2700 1 5 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.086 0.141 25638 2701 1 5 . 1 1 41 41 LEU C C 41 180.841 180.841 179.194 1.647 25638 2702 1 5 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.376 -0.086 25638 2703 1 5 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.617 -0.016 25638 2704 1 5 . 1 1 41 41 LEU H H 41 8.140 8.140 7.688 0.452 25638 2705 1 5 . 1 1 42 42 GLU N N 42 119.818 119.818 119.237 0.581 25638 2706 1 5 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.938 0.296 25638 2707 1 5 . 1 1 42 42 GLU C C 42 179.603 179.603 178.707 0.896 25638 2708 1 5 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.695 -0.785 25638 2709 1 5 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.343 -0.376 25638 2710 1 5 . 1 1 42 42 GLU H H 42 7.894 7.894 8.655 -0.761 25638 2711 1 5 . 1 1 43 43 HIS N N 43 119.964 119.964 118.558 1.406 25638 2712 1 5 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.280 0.141 25638 2713 1 5 . 1 1 43 43 HIS C C 43 179.140 179.140 177.665 1.475 25638 2714 1 5 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.144 -0.331 25638 2715 1 5 . 1 1 43 43 HIS CB C 43 29.444 29.444 29.963 -0.519 25638 2716 1 5 . 1 1 43 43 HIS H H 43 8.437 8.437 8.404 0.033 25638 2717 1 5 . 1 1 44 44 THR N N 44 117.768 117.768 116.039 1.729 25638 2718 1 5 . 1 1 44 44 THR HA H 44 3.884 3.884 4.163 -0.279 25638 2719 1 5 . 1 1 44 44 THR C C 44 179.008 179.008 176.999 2.009 25638 2720 1 5 . 1 1 44 44 THR CA C 44 67.603 67.603 67.088 0.515 25638 2721 1 5 . 1 1 44 44 THR CB C 44 68.981 68.981 68.415 0.566 25638 2722 1 5 . 1 1 44 44 THR H H 44 8.589 8.589 8.283 0.306 25638 2723 1 5 . 1 1 45 45 ARG N N 45 121.750 121.750 122.006 -0.256 25638 2724 1 5 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.065 -0.186 25638 2725 1 5 . 1 1 45 45 ARG C C 45 178.817 178.817 178.839 -0.022 25638 2726 1 5 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.578 1.281 25638 2727 1 5 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.581 1.135 25638 2728 1 5 . 1 1 45 45 ARG H H 45 8.255 8.255 8.660 -0.405 25638 2729 1 5 . 1 1 46 46 GLN N N 46 116.576 116.576 118.957 -2.381 25638 2730 1 5 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.077 -0.053 25638 2731 1 5 . 1 1 46 46 GLN C C 46 181.018 181.018 178.756 2.262 25638 2732 1 5 . 1 1 46 46 GLN CA C 46 59.575 59.575 59.025 0.550 25638 2733 1 5 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.409 -0.654 25638 2734 1 5 . 1 1 46 46 GLN H H 46 8.328 8.328 8.423 -0.095 25638 2735 1 5 . 1 1 47 47 CYS N N 47 118.569 118.569 119.550 -0.981 25638 2736 1 5 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.101 -0.018 25638 2737 1 5 . 1 1 47 47 CYS C C 47 177.244 177.244 176.887 0.357 25638 2738 1 5 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.176 -0.072 25638 2739 1 5 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.292 -0.229 25638 2740 1 5 . 1 1 47 47 CYS H H 47 8.029 8.029 8.487 -0.458 25638 2741 1 5 . 1 1 48 48 LEU N N 48 119.873 119.873 121.768 -1.895 25638 2742 1 5 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.057 0.012 25638 2743 1 5 . 1 1 48 48 LEU C C 48 179.839 179.839 179.049 0.790 25638 2744 1 5 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.044 0.269 25638 2745 1 5 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.433 0.792 25638 2746 1 5 . 1 1 48 48 LEU H H 48 8.539 8.539 8.489 0.050 25638 2747 1 5 . 1 1 49 49 ILE N N 49 119.523 119.523 115.871 3.652 25638 2748 1 5 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.029 -0.059 25638 2749 1 5 . 1 1 49 49 ILE C C 49 178.188 178.188 177.516 0.672 25638 2750 1 5 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.600 0.611 25638 2751 1 5 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.116 0.879 25638 2752 1 5 . 1 1 49 49 ILE H H 49 8.516 8.516 8.552 -0.036 25638 2753 1 5 . 1 1 50 50 LYS N N 50 118.622 118.622 120.068 -1.446 25638 2754 1 5 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.110 0.083 25638 2755 1 5 . 1 1 50 50 LYS C C 50 181.391 181.391 178.962 2.429 25638 2756 1 5 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.319 0.229 25638 2757 1 5 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.153 0.437 25638 2758 1 5 . 1 1 50 50 LYS H H 50 7.522 7.522 7.448 0.074 25638 2759 1 5 . 1 1 51 51 ILE N N 51 119.288 119.288 119.285 0.003 25638 2760 1 5 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.575 -0.126 25638 2761 1 5 . 1 1 51 51 ILE C C 51 178.384 178.384 177.770 0.614 25638 2762 1 5 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.787 -0.020 25638 2763 1 5 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.803 1.177 25638 2764 1 5 . 1 1 51 51 ILE H H 51 8.107 8.107 8.325 -0.218 25638 2765 1 5 . 1 1 52 52 GLY N N 52 108.211 108.211 106.971 1.240 25638 2766 1 5 . 1 1 52 52 GLY C C 52 178.168 178.168 175.401 2.767 25638 2767 1 5 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.481 0.583 25638 2768 1 5 . 1 1 52 52 GLY H H 52 9.224 9.224 8.267 0.957 25638 2769 1 5 . 1 1 53 53 ASP N N 53 124.013 124.013 122.834 1.179 25638 2770 1 5 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.421 0.113 25638 2771 1 5 . 1 1 53 53 ASP C C 53 179.976 179.976 178.094 1.882 25638 2772 1 5 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.381 0.247 25638 2773 1 5 . 1 1 53 53 ASP CB C 53 39.282 39.282 41.058 -1.776 25638 2774 1 5 . 1 1 53 53 ASP H H 53 9.091 9.091 8.391 0.700 25638 2775 1 5 . 1 1 54 54 HIS N N 54 121.598 121.598 118.310 3.288 25638 2776 1 5 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.200 0.206 25638 2777 1 5 . 1 1 54 54 HIS C C 54 178.982 178.982 177.760 1.222 25638 2778 1 5 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.922 0.538 25638 2779 1 5 . 1 1 54 54 HIS CB C 54 31.567 31.567 30.061 1.506 25638 2780 1 5 . 1 1 54 54 HIS H H 54 7.664 7.664 8.058 -0.394 25638 2781 1 5 . 1 1 55 55 ILE N N 55 121.892 121.892 120.389 1.503 25638 2782 1 5 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.532 -0.348 25638 2783 1 5 . 1 1 55 55 ILE C C 55 178.188 178.188 177.992 0.196 25638 2784 1 5 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.533 2.144 25638 2785 1 5 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.575 -0.331 25638 2786 1 5 . 1 1 55 55 ILE H H 55 8.255 8.255 8.206 0.049 25638 2787 1 5 . 1 1 56 56 THR N N 56 115.458 115.458 115.996 -0.538 25638 2788 1 5 . 1 1 56 56 THR HA H 56 3.759 3.759 3.880 -0.121 25638 2789 1 5 . 1 1 56 56 THR C C 56 180.195 180.195 177.021 3.174 25638 2790 1 5 . 1 1 56 56 THR CA C 56 67.551 67.551 66.823 0.728 25638 2791 1 5 . 1 1 56 56 THR CB C 56 68.756 68.756 68.177 0.579 25638 2792 1 5 . 1 1 56 56 THR H H 56 8.047 8.047 7.907 0.140 25638 2793 1 5 . 1 1 57 57 GLU N N 57 121.544 121.544 119.564 1.980 25638 2794 1 5 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.070 -0.116 25638 2795 1 5 . 1 1 57 57 GLU C C 57 180.979 180.979 177.719 3.260 25638 2796 1 5 . 1 1 57 57 GLU CA C 57 59.379 59.379 58.648 0.732 25638 2797 1 5 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.028 -0.288 25638 2798 1 5 . 1 1 57 57 GLU H H 57 7.591 7.591 8.523 -0.932 25638 2799 1 5 . 1 1 58 58 CYS N N 58 118.970 118.970 117.423 1.547 25638 2800 1 5 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.228 -0.288 25638 2801 1 5 . 1 1 58 58 CYS C C 58 178.089 178.089 176.752 1.337 25638 2802 1 5 . 1 1 58 58 CYS CA C 58 63.222 63.222 60.817 2.405 25638 2803 1 5 . 1 1 58 58 CYS CB C 58 26.562 26.562 29.346 -2.784 25638 2804 1 5 . 1 1 58 58 CYS H H 58 8.206 8.206 7.640 0.566 25638 2805 1 5 . 1 1 59 59 LEU N N 59 116.873 116.873 121.033 -4.160 25638 2806 1 5 . 1 1 59 59 LEU HA H 59 4.251 4.251 3.835 0.416 25638 2807 1 5 . 1 1 59 59 LEU C C 59 179.033 179.033 178.763 0.270 25638 2808 1 5 . 1 1 59 59 LEU CA C 59 56.039 56.039 58.047 -2.008 25638 2809 1 5 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.493 -0.456 25638 2810 1 5 . 1 1 59 59 LEU H H 59 7.726 7.726 8.431 -0.705 25638 2811 1 5 . 1 1 60 60 LYS N N 60 117.911 117.911 117.053 0.858 25638 2812 1 5 . 1 1 60 60 LYS HA H 60 4.131 4.131 3.993 0.138 25638 2813 1 5 . 1 1 60 60 LYS C C 60 177.912 177.912 177.213 0.699 25638 2814 1 5 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.597 -0.060 25638 2815 1 5 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.615 0.775 25638 2816 1 5 . 1 1 60 60 LYS H H 60 7.298 7.298 7.887 -0.589 25638 2817 1 5 . 1 1 61 61 GLU N N 61 115.507 115.507 117.917 -2.410 25638 2818 1 5 . 1 1 61 61 GLU HA H 61 3.889 3.889 4.011 -0.122 25638 2819 1 5 . 1 1 61 61 GLU C C 61 176.576 176.576 176.773 -0.197 25638 2820 1 5 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.740 -0.690 25638 2821 1 5 . 1 1 61 61 GLU CB C 61 29.734 29.734 30.285 -0.551 25638 2822 1 5 . 1 1 61 61 GLU H H 61 7.084 7.084 7.508 -0.424 25638 2823 1 5 . 1 1 62 62 TYR N N 62 118.581 118.581 116.967 1.614 25638 2824 1 5 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.413 0.293 25638 2825 1 5 . 1 1 62 62 TYR C C 62 175.935 175.935 176.539 -0.604 25638 2826 1 5 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.538 -0.391 25638 2827 1 5 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.712 1.673 25638 2828 1 5 . 1 1 62 62 TYR H H 62 7.387 7.387 6.797 0.590 25638 2829 1 5 . 1 1 63 63 THR N N 63 109.064 109.064 111.830 -2.766 25638 2830 1 5 . 1 1 63 63 THR HA H 63 4.507 4.507 4.387 0.120 25638 2831 1 5 . 1 1 63 63 THR C C 63 175.888 175.888 175.221 0.667 25638 2832 1 5 . 1 1 63 63 THR CA C 63 61.684 61.684 61.964 -0.280 25638 2833 1 5 . 1 1 63 63 THR CB C 63 70.092 70.092 70.176 -0.084 25638 2834 1 5 . 1 1 63 63 THR H H 63 8.471 8.471 8.541 -0.070 25638 2835 1 5 . 1 1 64 64 ASN N N 64 123.204 123.204 122.617 0.587 25638 2836 1 5 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.963 0.208 25638 2837 1 5 . 1 1 64 64 ASN C C 64 175.495 175.495 175.185 0.310 25638 2838 1 5 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.491 -1.354 25638 2839 1 5 . 1 1 64 64 ASN CB C 64 39.680 39.680 39.521 0.159 25638 2840 1 5 . 1 1 64 64 ASN H H 64 7.993 7.993 8.236 -0.243 25638 2841 1 5 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.281 -0.011 25638 2842 1 5 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.514 0.178 25638 2843 1 5 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.007 0.392 25638 2844 1 5 . 1 1 66 66 GLU N N 66 118.060 118.060 119.276 -1.216 25638 2845 1 5 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.092 0.040 25638 2846 1 5 . 1 1 66 66 GLU C C 66 180.409 180.409 179.039 1.370 25638 2847 1 5 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.854 -0.480 25638 2848 1 5 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.981 -0.178 25638 2849 1 5 . 1 1 66 66 GLU H H 66 8.297 8.297 8.798 -0.501 25638 2850 1 5 . 1 1 67 67 GLN N N 67 120.531 120.531 119.255 1.276 25638 2851 1 5 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.989 0.178 25638 2852 1 5 . 1 1 67 67 GLN C C 67 179.072 179.072 178.661 0.411 25638 2853 1 5 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.137 -0.309 25638 2854 1 5 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.480 0.763 25638 2855 1 5 . 1 1 67 67 GLN H H 67 7.738 7.738 8.225 -0.487 25638 2856 1 5 . 1 1 68 68 ILE N N 68 119.632 119.632 117.585 2.047 25638 2857 1 5 . 1 1 68 68 ILE HA H 68 3.548 3.548 4.101 -0.553 25638 2858 1 5 . 1 1 68 68 ILE C C 68 178.109 178.109 178.001 0.108 25638 2859 1 5 . 1 1 68 68 ILE CA C 68 66.597 66.597 64.981 1.615 25638 2860 1 5 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.611 1.328 25638 2861 1 5 . 1 1 68 68 ILE H H 68 7.956 7.956 8.301 -0.345 25638 2862 1 5 . 1 1 69 69 LYS N N 69 117.236 117.236 120.325 -3.089 25638 2863 1 5 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.004 -0.075 25638 2864 1 5 . 1 1 69 69 LYS C C 69 180.271 180.271 178.695 1.576 25638 2865 1 5 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.628 0.293 25638 2866 1 5 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.379 0.228 25638 2867 1 5 . 1 1 69 69 LYS H H 69 7.665 7.665 8.063 -0.398 25638 2868 1 5 . 1 1 70 70 GLN N N 70 118.748 118.748 120.306 -1.558 25638 2869 1 5 . 1 1 70 70 GLN HA H 70 3.855 3.855 3.999 -0.144 25638 2870 1 5 . 1 1 70 70 GLN C C 70 179.131 179.131 178.184 0.947 25638 2871 1 5 . 1 1 70 70 GLN CA C 70 58.252 58.252 59.064 -0.812 25638 2872 1 5 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.156 0.521 25638 2873 1 5 . 1 1 70 70 GLN H H 70 7.787 7.787 8.254 -0.467 25638 2874 1 5 . 1 1 71 71 TRP N N 71 118.896 118.896 119.587 -0.691 25638 2875 1 5 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.294 -0.251 25638 2876 1 5 . 1 1 71 71 TRP C C 71 178.679 178.679 178.617 0.062 25638 2877 1 5 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.214 1.735 25638 2878 1 5 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.351 -1.107 25638 2879 1 5 . 1 1 71 71 TRP H H 71 8.374 8.374 8.513 -0.139 25638 2880 1 5 . 1 1 72 72 ARG N N 72 122.698 122.698 120.225 2.473 25638 2881 1 5 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.919 -0.100 25638 2882 1 5 . 1 1 72 72 ARG C C 72 178.561 178.561 178.111 0.450 25638 2883 1 5 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.944 1.088 25638 2884 1 5 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.164 0.105 25638 2885 1 5 . 1 1 72 72 ARG H H 72 8.808 8.808 8.428 0.380 25638 2886 1 5 . 1 1 73 73 LYS N N 73 116.946 116.946 118.168 -1.222 25638 2887 1 5 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.247 -0.067 25638 2888 1 5 . 1 1 73 73 LYS C C 73 179.622 179.622 179.065 0.557 25638 2889 1 5 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.463 0.072 25638 2890 1 5 . 1 1 73 73 LYS CB C 73 31.715 31.715 31.951 -0.236 25638 2891 1 5 . 1 1 73 73 LYS H H 73 7.380 7.380 8.045 -0.665 25638 2892 1 5 . 1 1 74 74 ASN N N 74 116.434 116.434 120.281 -3.847 25638 2893 1 5 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.548 -0.271 25638 2894 1 5 . 1 1 74 74 ASN C C 74 178.148 178.148 178.010 0.138 25638 2895 1 5 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.184 -0.321 25638 2896 1 5 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.156 -0.122 25638 2897 1 5 . 1 1 74 74 ASN H H 74 8.309 8.309 8.373 -0.064 25638 2898 1 5 . 1 1 75 75 LEU N N 75 118.967 118.967 120.523 -1.556 25638 2899 1 5 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.023 0.102 25638 2900 1 5 . 1 1 75 75 LEU C C 75 180.251 180.251 178.868 1.383 25638 2901 1 5 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.191 0.635 25638 2902 1 5 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.459 -0.475 25638 2903 1 5 . 1 1 75 75 LEU H H 75 8.635 8.635 8.403 0.232 25638 2904 1 5 . 1 1 76 76 TRP N N 76 118.544 118.544 119.518 -0.974 25638 2905 1 5 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.275 0.304 25638 2906 1 5 . 1 1 76 76 TRP C C 76 180.900 180.900 179.036 1.864 25638 2907 1 5 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.711 0.705 25638 2908 1 5 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.425 -0.327 25638 2909 1 5 . 1 1 76 76 TRP H H 76 8.006 8.006 7.577 0.429 25638 2910 1 5 . 1 1 77 77 ILE N N 77 121.982 121.982 120.420 1.562 25638 2911 1 5 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.854 -0.023 25638 2912 1 5 . 1 1 77 77 ILE C C 77 181.254 181.254 179.184 2.070 25638 2913 1 5 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.432 0.609 25638 2914 1 5 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.252 -0.902 25638 2915 1 5 . 1 1 77 77 ILE H H 77 8.893 8.893 8.861 0.032 25638 2916 1 5 . 1 1 78 78 PHE N N 78 123.458 123.458 121.271 2.187 25638 2917 1 5 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.271 -0.227 25638 2918 1 5 . 1 1 78 78 PHE C C 78 177.618 177.618 177.396 0.222 25638 2919 1 5 . 1 1 78 78 PHE CA C 78 63.080 63.080 62.248 0.832 25638 2920 1 5 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.254 -0.544 25638 2921 1 5 . 1 1 78 78 PHE H H 78 8.753 8.753 8.648 0.105 25638 2922 1 5 . 1 1 79 79 VAL N N 79 117.726 117.726 117.784 -0.058 25638 2923 1 5 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.750 -0.271 25638 2924 1 5 . 1 1 79 79 VAL C C 79 178.876 178.876 178.281 0.595 25638 2925 1 5 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.264 0.548 25638 2926 1 5 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.203 0.369 25638 2927 1 5 . 1 1 79 79 VAL H H 79 8.232 8.232 8.371 -0.139 25638 2928 1 5 . 1 1 80 80 SER N N 80 114.568 114.568 114.005 0.563 25638 2929 1 5 . 1 1 80 80 SER HA H 80 4.339 4.339 4.588 -0.249 25638 2930 1 5 . 1 1 80 80 SER C C 80 176.261 176.261 175.607 0.654 25638 2931 1 5 . 1 1 80 80 SER CA C 80 61.337 61.337 60.705 0.633 25638 2932 1 5 . 1 1 80 80 SER CB C 80 62.712 62.712 62.754 -0.042 25638 2933 1 5 . 1 1 80 80 SER H H 80 8.353 8.353 8.658 -0.305 25638 2934 1 5 . 1 1 81 81 LYS N N 81 121.180 121.180 121.317 -0.137 25638 2935 1 5 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.202 -0.004 25638 2936 1 5 . 1 1 81 81 LYS C C 81 178.305 178.305 177.729 0.576 25638 2937 1 5 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.240 -1.137 25638 2938 1 5 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.496 -1.837 25638 2939 1 5 . 1 1 81 81 LYS H H 81 7.481 7.481 7.421 0.060 25638 2940 1 5 . 1 1 82 82 PHE N N 82 117.950 117.950 117.612 0.338 25638 2941 1 5 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.260 0.137 25638 2942 1 5 . 1 1 82 82 PHE C C 82 174.787 174.787 177.171 -2.384 25638 2943 1 5 . 1 1 82 82 PHE CA C 82 58.398 58.398 60.307 -1.909 25638 2944 1 5 . 1 1 82 82 PHE CB C 82 38.937 38.937 38.989 -0.052 25638 2945 1 5 . 1 1 82 82 PHE H H 82 8.256 8.256 7.505 0.751 25638 2946 1 5 . 1 1 83 83 THR N N 83 109.995 109.995 110.892 -0.897 25638 2947 1 5 . 1 1 83 83 THR HA H 83 4.988 4.988 4.379 0.609 25638 2948 1 5 . 1 1 83 83 THR C C 83 174.138 174.138 174.656 -0.518 25638 2949 1 5 . 1 1 83 83 THR CA C 83 59.609 59.609 61.065 -1.456 25638 2950 1 5 . 1 1 83 83 THR CB C 83 71.080 71.080 70.736 0.344 25638 2951 1 5 . 1 1 83 83 THR H H 83 7.665 7.665 7.899 -0.234 25638 2952 1 5 . 1 1 84 84 GLU N N 84 119.416 119.416 120.229 -0.813 25638 2953 1 5 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.272 0.123 25638 2954 1 5 . 1 1 84 84 GLU C C 84 177.912 177.912 176.917 0.995 25638 2955 1 5 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.535 -1.039 25638 2956 1 5 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.931 -0.409 25638 2957 1 5 . 1 1 84 84 GLU H H 84 8.409 8.409 8.770 -0.361 25638 2958 1 5 . 1 1 85 85 PHE N N 85 120.265 120.265 120.748 -0.483 25638 2959 1 5 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.490 0.401 25638 2960 1 5 . 1 1 85 85 PHE C C 85 175.809 175.809 175.526 0.283 25638 2961 1 5 . 1 1 85 85 PHE CA C 85 56.109 56.109 57.975 -1.866 25638 2962 1 5 . 1 1 85 85 PHE CB C 85 41.188 41.188 38.264 2.924 25638 2963 1 5 . 1 1 85 85 PHE H H 85 8.210 8.210 7.697 0.513 25638 2964 1 5 . 1 1 86 86 ASP N N 86 118.128 118.128 124.115 -5.987 25638 2965 1 5 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.469 0.267 25638 2966 1 5 . 1 1 86 86 ASP C C 86 176.986 176.986 177.521 -0.535 25638 2967 1 5 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.592 -2.409 25638 2968 1 5 . 1 1 86 86 ASP CB C 86 42.533 42.533 43.200 -0.667 25638 2969 1 5 . 1 1 86 86 ASP H H 86 8.119 8.119 8.037 0.082 25638 2970 1 5 . 1 1 87 87 ALA N N 87 121.912 121.912 125.469 -3.557 25638 2971 1 5 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.051 -0.062 25638 2972 1 5 . 1 1 87 87 ALA C C 87 180.378 180.378 179.172 1.206 25638 2973 1 5 . 1 1 87 87 ALA CA C 87 56.075 56.075 54.931 1.144 25638 2974 1 5 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.878 1.329 25638 2975 1 5 . 1 1 87 87 ALA H H 87 8.757 8.757 8.844 -0.087 25638 2976 1 5 . 1 1 88 88 ARG N N 88 117.072 117.072 115.808 1.264 25638 2977 1 5 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.196 -0.240 25638 2978 1 5 . 1 1 88 88 ARG C C 88 179.975 179.975 177.351 2.624 25638 2979 1 5 . 1 1 88 88 ARG CA C 88 59.252 59.252 58.005 1.247 25638 2980 1 5 . 1 1 88 88 ARG CB C 88 29.613 29.613 30.525 -0.912 25638 2981 1 5 . 1 1 88 88 ARG H H 88 8.147 8.147 8.252 -0.105 25638 2982 1 5 . 1 1 89 89 LYS N N 89 121.809 121.809 119.556 2.253 25638 2983 1 5 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.286 -0.377 25638 2984 1 5 . 1 1 89 89 LYS C C 89 179.505 179.505 178.077 1.428 25638 2985 1 5 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.289 0.697 25638 2986 1 5 . 1 1 89 89 LYS CB C 89 32.334 32.334 33.001 -0.667 25638 2987 1 5 . 1 1 89 89 LYS H H 89 8.022 8.022 7.835 0.187 25638 2988 1 5 . 1 1 90 90 LEU N N 90 118.429 118.429 120.634 -2.205 25638 2989 1 5 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.769 -0.025 25638 2990 1 5 . 1 1 90 90 LEU C C 90 178.069 178.069 177.554 0.515 25638 2991 1 5 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.223 -0.180 25638 2992 1 5 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.959 0.503 25638 2993 1 5 . 1 1 90 90 LEU H H 90 8.139 8.139 8.607 -0.468 25638 2994 1 5 . 1 1 91 91 HIS N N 91 117.214 117.214 117.161 0.053 25638 2995 1 5 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.271 0.708 25638 2996 1 5 . 1 1 91 91 HIS C C 91 178.069 178.069 177.362 0.707 25638 2997 1 5 . 1 1 91 91 HIS CA C 91 58.178 58.178 59.041 -0.863 25638 2998 1 5 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.345 0.083 25638 2999 1 5 . 1 1 91 91 HIS H H 91 7.379 7.379 7.580 -0.201 25638 3000 1 5 . 1 1 92 92 LYS N N 92 118.466 118.466 119.246 -0.780 25638 3001 1 5 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.852 -0.217 25638 3002 1 5 . 1 1 92 92 LYS C C 92 180.310 180.310 178.879 1.431 25638 3003 1 5 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.049 0.875 25638 3004 1 5 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.392 -0.027 25638 3005 1 5 . 1 1 92 92 LYS H H 92 7.599 7.599 7.618 -0.019 25638 3006 1 5 . 1 1 93 93 LEU N N 93 120.752 120.752 121.867 -1.115 25638 3007 1 5 . 1 1 93 93 LEU HA H 93 3.983 3.983 4.089 -0.106 25638 3008 1 5 . 1 1 93 93 LEU C C 93 181.269 181.269 179.060 2.209 25638 3009 1 5 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.496 -0.496 25638 3010 1 5 . 1 1 93 93 LEU CB C 93 42.339 42.339 40.886 1.453 25638 3011 1 5 . 1 1 93 93 LEU H H 93 8.351 8.351 7.994 0.357 25638 3012 1 5 . 1 1 94 94 TYR N N 94 122.311 122.311 119.450 2.861 25638 3013 1 5 . 1 1 94 94 TYR HA H 94 4.136 4.136 3.985 0.151 25638 3014 1 5 . 1 1 94 94 TYR C C 94 176.789 176.789 177.596 -0.807 25638 3015 1 5 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.331 -0.031 25638 3016 1 5 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.250 0.328 25638 3017 1 5 . 1 1 94 94 TYR H H 94 8.290 8.290 8.739 -0.449 25638 3018 1 5 . 1 1 95 95 LYS N N 95 117.851 117.851 118.668 -0.817 25638 3019 1 5 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.584 -0.158 25638 3020 1 5 . 1 1 95 95 LYS C C 95 180.684 180.684 178.468 2.216 25638 3021 1 5 . 1 1 95 95 LYS CA C 95 59.379 59.379 60.258 -0.879 25638 3022 1 5 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.204 -0.956 25638 3023 1 5 . 1 1 95 95 LYS H H 95 8.180 8.180 7.982 0.198 25638 3024 1 5 . 1 1 96 96 HIS N N 96 117.611 117.611 117.285 0.326 25638 3025 1 5 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.285 -0.072 25638 3026 1 5 . 1 1 96 96 HIS C C 96 178.266 178.266 176.958 1.308 25638 3027 1 5 . 1 1 96 96 HIS CA C 96 59.274 59.274 58.814 0.460 25638 3028 1 5 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.020 1.183 25638 3029 1 5 . 1 1 96 96 HIS H H 96 8.049 8.049 8.166 -0.117 25638 3030 1 5 . 1 1 97 97 ALA N N 97 122.617 122.617 122.081 0.536 25638 3031 1 5 . 1 1 97 97 ALA HA H 97 4.091 4.091 3.777 0.314 25638 3032 1 5 . 1 1 97 97 ALA C C 97 181.352 181.352 179.603 1.749 25638 3033 1 5 . 1 1 97 97 ALA CA C 97 54.645 54.645 54.770 -0.125 25638 3034 1 5 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.009 -0.240 25638 3035 1 5 . 1 1 97 97 ALA H H 97 8.104 8.104 7.552 0.552 25638 3036 1 5 . 1 1 98 98 ILE N N 98 111.626 111.626 118.079 -6.453 25638 3037 1 5 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.556 0.553 25638 3038 1 5 . 1 1 98 98 ILE C C 98 178.561 178.561 177.470 1.091 25638 3039 1 5 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.076 -1.346 25638 3040 1 5 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.831 -0.185 25638 3041 1 5 . 1 1 98 98 ILE H H 98 7.636 7.636 8.032 -0.396 25638 3042 1 5 . 1 1 99 99 LYS N N 99 124.158 124.158 119.319 4.839 25638 3043 1 5 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.883 0.162 25638 3044 1 5 . 1 1 99 99 LYS C C 99 179.111 179.111 178.370 0.741 25638 3045 1 5 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.502 -0.432 25638 3046 1 5 . 1 1 99 99 LYS CB C 99 32.172 32.172 31.958 0.214 25638 3047 1 5 . 1 1 99 99 LYS H H 99 7.359 7.359 7.962 -0.603 25638 3048 1 5 . 1 1 100 100 LYS N N 100 118.333 118.333 116.546 1.787 25638 3049 1 5 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.069 0.074 25638 3050 1 5 . 1 1 100 100 LYS C C 100 179.111 179.111 178.130 0.981 25638 3051 1 5 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.242 -1.030 25638 3052 1 5 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.386 -0.644 25638 3053 1 5 . 1 1 100 100 LYS H H 100 7.937 7.937 7.798 0.139 25638 3054 1 5 . 1 1 101 101 ARG N N 101 121.125 121.125 117.264 3.861 25638 3055 1 5 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.421 -0.292 25638 3056 1 5 . 1 1 101 101 ARG C C 101 178.541 178.541 177.354 1.187 25638 3057 1 5 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.160 2.006 25638 3058 1 5 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.919 -0.329 25638 3059 1 5 . 1 1 101 101 ARG H H 101 7.895 7.895 7.619 0.276 25638 3060 1 5 . 1 1 102 102 GLN N N 102 119.756 119.756 119.423 0.333 25638 3061 1 5 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.345 -0.138 25638 3062 1 5 . 1 1 102 102 GLN C C 102 178.129 178.129 177.272 0.857 25638 3063 1 5 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.680 1.232 25638 3064 1 5 . 1 1 102 102 GLN CB C 102 28.921 28.921 29.578 -0.657 25638 3065 1 5 . 1 1 102 102 GLN H H 102 8.167 8.167 7.986 0.181 25638 3066 1 5 . 1 1 103 103 GLU N N 103 120.553 120.553 122.742 -2.189 25638 3067 1 5 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.198 0.002 25638 3068 1 5 . 1 1 103 103 GLU C C 103 178.286 178.286 175.700 2.586 25638 3069 1 5 . 1 1 103 103 GLU CA C 103 57.505 57.505 56.817 0.688 25638 3070 1 5 . 1 1 103 103 GLU CB C 103 29.924 29.924 28.432 1.492 25638 3071 1 5 . 1 1 103 103 GLU H H 103 8.189 8.189 9.021 -0.832 25638 3072 1 5 . 1 1 104 104 SER N N 104 115.381 115.381 112.714 2.667 25638 3073 1 5 . 1 1 104 104 SER HA H 104 4.431 4.431 4.104 0.327 25638 3074 1 5 . 1 1 104 104 SER C C 104 175.750 175.750 173.519 2.231 25638 3075 1 5 . 1 1 104 104 SER CA C 104 59.154 59.154 58.330 0.824 25638 3076 1 5 . 1 1 104 104 SER CB C 104 63.456 63.456 62.520 0.937 25638 3077 1 5 . 1 1 104 104 SER H H 104 8.099 8.099 7.549 0.550 25638 3078 1 5 . 1 1 105 105 GLN N N 105 121.635 121.635 121.443 0.192 25638 3079 1 5 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.256 0.079 25638 3080 1 5 . 1 1 105 105 GLN C C 105 177.008 177.008 175.827 1.181 25638 3081 1 5 . 1 1 105 105 GLN CA C 105 56.053 56.053 56.168 -0.115 25638 3082 1 5 . 1 1 105 105 GLN CB C 105 29.128 29.128 29.111 0.017 25638 3083 1 5 . 1 1 105 105 GLN H H 105 8.170 8.170 8.293 -0.123 25638 3084 1 5 . 1 1 106 106 GLN N N 106 120.850 120.850 123.103 -2.253 25638 3085 1 5 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.478 -0.147 25638 3086 1 5 . 1 1 106 106 GLN C C 106 176.713 176.713 175.454 1.259 25638 3087 1 5 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.429 0.522 25638 3088 1 5 . 1 1 106 106 GLN CB C 106 29.254 29.254 29.938 -0.684 25638 3089 1 5 . 1 1 106 106 GLN H H 106 8.281 8.281 8.711 -0.430 25638 3090 1 5 . 1 1 107 107 ASN N N 107 120.271 120.271 117.858 2.413 25638 3091 1 5 . 1 1 107 107 ASN HA H 107 4.790 4.790 5.044 -0.254 25638 3092 1 5 . 1 1 107 107 ASN C C 107 175.337 175.337 174.625 0.712 25638 3093 1 5 . 1 1 107 107 ASN CA C 107 53.353 53.353 52.506 0.847 25638 3094 1 5 . 1 1 107 107 ASN CB C 107 39.094 39.094 39.870 -0.775 25638 3095 1 5 . 1 1 107 107 ASN H H 107 8.434 8.434 8.491 -0.057 25638 3096 1 6 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.510 -0.065 25638 3097 1 6 . 1 1 2 2 PRO C C 2 178.089 178.089 175.889 2.200 25638 3098 1 6 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.969 0.337 25638 3099 1 6 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.494 -0.026 25638 3100 1 6 . 1 1 3 3 LEU N N 3 122.239 122.239 124.287 -2.048 25638 3101 1 6 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.544 -0.247 25638 3102 1 6 . 1 1 3 3 LEU C C 3 178.876 178.876 176.610 2.266 25638 3103 1 6 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.573 0.956 25638 3104 1 6 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.266 -0.116 25638 3105 1 6 . 1 1 3 3 LEU H H 3 8.522 8.522 8.490 0.032 25638 3106 1 6 . 1 1 4 4 GLY N N 4 109.572 109.572 108.854 0.718 25638 3107 1 6 . 1 1 4 4 GLY C C 4 174.630 174.630 172.907 1.723 25638 3108 1 6 . 1 1 4 4 GLY CA C 4 45.333 45.333 45.211 0.122 25638 3109 1 6 . 1 1 4 4 GLY H H 4 8.349 8.349 8.031 0.318 25638 3110 1 6 . 1 1 5 5 SER N N 5 115.481 115.481 113.959 1.522 25638 3111 1 6 . 1 1 5 5 SER HA H 5 4.513 4.513 4.232 0.281 25638 3112 1 6 . 1 1 5 5 SER C C 5 174.667 174.667 174.309 0.358 25638 3113 1 6 . 1 1 5 5 SER CA C 5 57.801 57.801 58.402 -0.601 25638 3114 1 6 . 1 1 5 5 SER CB C 5 64.536 64.536 63.825 0.711 25638 3115 1 6 . 1 1 5 5 SER H H 5 8.119 8.119 8.162 -0.043 25638 3116 1 6 . 1 1 6 6 LEU N N 6 121.895 121.895 123.405 -1.510 25638 3117 1 6 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.316 0.338 25638 3118 1 6 . 1 1 6 6 LEU C C 6 177.932 177.932 176.406 1.526 25638 3119 1 6 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.479 -0.557 25638 3120 1 6 . 1 1 6 6 LEU CB C 6 44.606 44.606 41.737 2.869 25638 3121 1 6 . 1 1 6 6 LEU H H 6 8.319 8.319 8.273 0.046 25638 3122 1 6 . 1 1 7 7 ASP N N 7 121.978 121.978 124.601 -2.623 25638 3123 1 6 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.556 0.050 25638 3124 1 6 . 1 1 7 7 ASP C C 7 176.477 176.477 177.522 -1.045 25638 3125 1 6 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.136 -0.918 25638 3126 1 6 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.578 -1.620 25638 3127 1 6 . 1 1 7 7 ASP H H 7 8.318 8.318 8.326 -0.008 25638 3128 1 6 . 1 1 8 8 GLN N N 8 119.885 119.885 120.812 -0.927 25638 3129 1 6 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.084 0.002 25638 3130 1 6 . 1 1 8 8 GLN C C 8 179.710 179.710 178.124 1.586 25638 3131 1 6 . 1 1 8 8 GLN CA C 8 59.825 59.825 60.293 -0.468 25638 3132 1 6 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.475 0.009 25638 3133 1 6 . 1 1 8 8 GLN H H 8 8.746 8.746 8.752 -0.006 25638 3134 1 6 . 1 1 9 9 LYS N N 9 120.863 120.863 119.253 1.610 25638 3135 1 6 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.246 -0.049 25638 3136 1 6 . 1 1 9 9 LYS C C 9 180.333 180.333 178.984 1.349 25638 3137 1 6 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.419 -0.045 25638 3138 1 6 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.271 0.686 25638 3139 1 6 . 1 1 9 9 LYS H H 9 8.454 8.454 8.686 -0.232 25638 3140 1 6 . 1 1 10 10 THR N N 10 118.654 118.654 117.040 1.614 25638 3141 1 6 . 1 1 10 10 THR HA H 10 3.985 3.985 4.274 -0.289 25638 3142 1 6 . 1 1 10 10 THR C C 10 177.904 177.904 176.681 1.223 25638 3143 1 6 . 1 1 10 10 THR CA C 10 67.618 67.618 66.637 0.981 25638 3144 1 6 . 1 1 10 10 THR CB C 10 67.523 67.523 68.419 -0.896 25638 3145 1 6 . 1 1 10 10 THR H H 10 8.531 8.531 7.971 0.560 25638 3146 1 6 . 1 1 11 11 PHE N N 11 123.876 123.876 122.280 1.596 25638 3147 1 6 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.556 -0.562 25638 3148 1 6 . 1 1 11 11 PHE C C 11 177.676 177.676 177.282 0.394 25638 3149 1 6 . 1 1 11 11 PHE CA C 11 63.219 63.219 60.386 2.833 25638 3150 1 6 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.111 0.235 25638 3151 1 6 . 1 1 11 11 PHE H H 11 9.296 9.296 8.866 0.430 25638 3152 1 6 . 1 1 12 12 SER N N 12 114.219 114.219 114.978 -0.759 25638 3153 1 6 . 1 1 12 12 SER HA H 12 4.151 4.151 4.181 -0.030 25638 3154 1 6 . 1 1 12 12 SER C C 12 177.922 177.922 175.592 2.330 25638 3155 1 6 . 1 1 12 12 SER CA C 12 62.899 62.899 61.433 1.466 25638 3156 1 6 . 1 1 12 12 SER CB C 12 63.194 63.194 63.132 0.062 25638 3157 1 6 . 1 1 12 12 SER H H 12 8.306 8.306 7.954 0.352 25638 3158 1 6 . 1 1 13 13 ILE N N 13 123.613 123.613 121.323 2.290 25638 3159 1 6 . 1 1 13 13 ILE HA H 13 3.837 3.837 4.008 -0.171 25638 3160 1 6 . 1 1 13 13 ILE C C 13 179.563 179.563 177.242 2.321 25638 3161 1 6 . 1 1 13 13 ILE CA C 13 65.100 65.100 63.724 1.376 25638 3162 1 6 . 1 1 13 13 ILE CB C 13 38.310 38.310 38.682 -0.372 25638 3163 1 6 . 1 1 13 13 ILE H H 13 7.897 7.897 7.820 0.077 25638 3164 1 6 . 1 1 14 14 CYS N N 14 118.125 118.125 118.969 -0.844 25638 3165 1 6 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.742 -0.191 25638 3166 1 6 . 1 1 14 14 CYS C C 14 176.010 176.010 175.760 0.250 25638 3167 1 6 . 1 1 14 14 CYS CA C 14 64.572 64.572 62.355 2.217 25638 3168 1 6 . 1 1 14 14 CYS CB C 14 26.721 26.721 26.510 0.211 25638 3169 1 6 . 1 1 14 14 CYS H H 14 8.329 8.329 8.566 -0.237 25638 3170 1 6 . 1 1 15 15 LYS N N 15 118.532 118.532 118.788 -0.256 25638 3171 1 6 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.754 -0.605 25638 3172 1 6 . 1 1 15 15 LYS C C 15 179.846 179.846 177.544 2.302 25638 3173 1 6 . 1 1 15 15 LYS CA C 15 59.732 59.732 58.975 0.757 25638 3174 1 6 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.077 0.015 25638 3175 1 6 . 1 1 15 15 LYS H H 15 8.025 8.025 7.218 0.807 25638 3176 1 6 . 1 1 16 16 GLU N N 16 118.138 118.138 116.314 1.824 25638 3177 1 6 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.248 -0.221 25638 3178 1 6 . 1 1 16 16 GLU C C 16 180.959 180.959 178.729 2.230 25638 3179 1 6 . 1 1 16 16 GLU CA C 16 59.142 59.142 56.964 2.178 25638 3180 1 6 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.901 -0.788 25638 3181 1 6 . 1 1 16 16 GLU H H 16 7.403 7.403 7.521 -0.118 25638 3182 1 6 . 1 1 17 17 ARG N N 17 117.969 117.969 120.315 -2.346 25638 3183 1 6 . 1 1 17 17 ARG HA H 17 4.063 4.063 3.982 0.081 25638 3184 1 6 . 1 1 17 17 ARG C C 17 179.544 179.544 178.723 0.821 25638 3185 1 6 . 1 1 17 17 ARG CA C 17 58.155 58.155 58.217 -0.062 25638 3186 1 6 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.159 -0.192 25638 3187 1 6 . 1 1 17 17 ARG H H 17 8.325 8.325 7.847 0.478 25638 3188 1 6 . 1 1 18 18 MET N N 18 113.332 113.332 118.947 -5.615 25638 3189 1 6 . 1 1 18 18 MET HA H 18 4.561 4.561 4.392 0.169 25638 3190 1 6 . 1 1 18 18 MET C C 18 176.890 176.890 175.533 1.357 25638 3191 1 6 . 1 1 18 18 MET CA C 18 53.377 53.377 54.172 -0.795 25638 3192 1 6 . 1 1 18 18 MET CB C 18 29.724 29.724 30.781 -1.057 25638 3193 1 6 . 1 1 18 18 MET H H 18 7.718 7.718 7.926 -0.208 25638 3194 1 6 . 1 1 19 19 ARG N N 19 123.288 123.288 120.822 2.466 25638 3195 1 6 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.186 -0.035 25638 3196 1 6 . 1 1 19 19 ARG C C 19 176.556 176.556 176.754 -0.198 25638 3197 1 6 . 1 1 19 19 ARG CA C 19 61.133 61.133 61.472 -0.339 25638 3198 1 6 . 1 1 19 19 ARG CB C 19 28.258 28.258 27.971 0.287 25638 3199 1 6 . 1 1 19 19 ARG H H 19 7.152 7.152 7.920 -0.768 25638 3200 1 6 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.219 0.124 25638 3201 1 6 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.333 0.664 25638 3202 1 6 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.078 0.762 25638 3203 1 6 . 1 1 21 21 VAL N N 21 105.802 105.802 111.975 -6.173 25638 3204 1 6 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.255 0.566 25638 3205 1 6 . 1 1 21 21 VAL C C 21 176.261 176.261 176.514 -0.253 25638 3206 1 6 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.254 -1.151 25638 3207 1 6 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.660 0.196 25638 3208 1 6 . 1 1 21 21 VAL H H 21 7.352 7.352 7.751 -0.399 25638 3209 1 6 . 1 1 22 22 LYS N N 22 122.802 122.802 123.033 -0.231 25638 3210 1 6 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.848 -0.084 25638 3211 1 6 . 1 1 22 22 LYS C C 22 178.758 178.758 177.946 0.812 25638 3212 1 6 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.501 -0.169 25638 3213 1 6 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.229 -0.015 25638 3214 1 6 . 1 1 22 22 LYS H H 22 7.640 7.640 7.813 -0.173 25638 3215 1 6 . 1 1 23 23 ALA N N 23 120.067 120.067 120.578 -0.511 25638 3216 1 6 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.065 0.010 25638 3217 1 6 . 1 1 23 23 ALA C C 23 180.998 180.998 179.509 1.489 25638 3218 1 6 . 1 1 23 23 ALA CA C 23 55.159 55.159 54.773 0.386 25638 3219 1 6 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.706 0.208 25638 3220 1 6 . 1 1 23 23 ALA H H 23 8.571 8.571 8.455 0.116 25638 3221 1 6 . 1 1 24 24 ALA N N 24 121.068 121.068 121.642 -0.574 25638 3222 1 6 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.100 0.062 25638 3223 1 6 . 1 1 24 24 ALA C C 24 180.271 180.271 179.458 0.813 25638 3224 1 6 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.680 0.076 25638 3225 1 6 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.512 -0.319 25638 3226 1 6 . 1 1 24 24 ALA H H 24 7.320 7.320 7.710 -0.390 25638 3227 1 6 . 1 1 25 25 LEU N N 25 117.214 117.214 118.538 -1.324 25638 3228 1 6 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.998 -0.287 25638 3229 1 6 . 1 1 25 25 LEU C C 25 179.524 179.524 179.340 0.184 25638 3230 1 6 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.000 -0.049 25638 3231 1 6 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.243 -0.613 25638 3232 1 6 . 1 1 25 25 LEU H H 25 7.698 7.698 8.343 -0.645 25638 3233 1 6 . 1 1 26 26 LYS N N 26 116.336 116.336 119.308 -2.972 25638 3234 1 6 . 1 1 26 26 LYS HA H 26 4.163 4.163 3.998 0.165 25638 3235 1 6 . 1 1 26 26 LYS C C 26 179.308 179.308 178.887 0.421 25638 3236 1 6 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.753 -1.339 25638 3237 1 6 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.074 0.092 25638 3238 1 6 . 1 1 26 26 LYS H H 26 7.675 7.675 8.422 -0.747 25638 3239 1 6 . 1 1 27 27 GLN N N 27 116.118 116.118 116.052 0.066 25638 3240 1 6 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.265 0.010 25638 3241 1 6 . 1 1 27 27 GLN C C 27 178.679 178.679 177.173 1.506 25638 3242 1 6 . 1 1 27 27 GLN CA C 27 56.807 56.807 57.654 -0.847 25638 3243 1 6 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.872 1.148 25638 3244 1 6 . 1 1 27 27 GLN H H 27 7.520 7.520 7.771 -0.251 25638 3245 1 6 . 1 1 28 28 LEU N N 28 121.335 121.335 117.124 4.211 25638 3246 1 6 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.380 -0.227 25638 3247 1 6 . 1 1 28 28 LEU C C 28 178.168 178.168 178.250 -0.082 25638 3248 1 6 . 1 1 28 28 LEU CA C 28 58.042 58.042 56.234 1.808 25638 3249 1 6 . 1 1 28 28 LEU CB C 28 41.911 41.911 42.709 -0.798 25638 3250 1 6 . 1 1 28 28 LEU H H 28 7.506 7.506 7.566 -0.060 25638 3251 1 6 . 1 1 29 29 ASP N N 29 117.486 117.486 121.152 -3.666 25638 3252 1 6 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.684 0.230 25638 3253 1 6 . 1 1 29 29 ASP C C 29 176.772 176.772 176.552 0.220 25638 3254 1 6 . 1 1 29 29 ASP CA C 29 54.126 54.126 55.780 -1.654 25638 3255 1 6 . 1 1 29 29 ASP CB C 29 42.715 42.715 42.075 0.640 25638 3256 1 6 . 1 1 29 29 ASP H H 29 8.120 8.120 7.594 0.526 25638 3257 1 6 . 1 1 30 30 ARG N N 30 119.107 119.107 119.443 -0.336 25638 3258 1 6 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.859 -0.098 25638 3259 1 6 . 1 1 30 30 ARG C C 30 173.824 173.824 174.101 -0.277 25638 3260 1 6 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.728 -0.497 25638 3261 1 6 . 1 1 30 30 ARG CB C 30 31.311 31.311 32.181 -0.870 25638 3262 1 6 . 1 1 30 30 ARG H H 30 7.701 7.701 8.439 -0.738 25638 3263 1 6 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.542 -0.276 25638 3264 1 6 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.795 0.150 25638 3265 1 6 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.447 -0.433 25638 3266 1 6 . 1 1 32 32 GLU N N 32 122.391 122.391 119.232 3.159 25638 3267 1 6 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.543 -0.355 25638 3268 1 6 . 1 1 32 32 GLU C C 32 177.401 177.401 175.246 2.155 25638 3269 1 6 . 1 1 32 32 GLU CA C 32 56.389 56.389 55.492 0.897 25638 3270 1 6 . 1 1 32 32 GLU CB C 32 30.188 30.188 31.939 -1.751 25638 3271 1 6 . 1 1 32 32 GLU H H 32 8.454 8.454 8.362 0.092 25638 3272 1 6 . 1 1 33 33 LYS N N 33 123.127 123.127 117.899 5.228 25638 3273 1 6 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.674 -0.498 25638 3274 1 6 . 1 1 33 33 LYS C C 33 178.482 178.482 176.705 1.777 25638 3275 1 6 . 1 1 33 33 LYS CA C 33 57.127 57.127 55.719 1.408 25638 3276 1 6 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.067 -0.427 25638 3277 1 6 . 1 1 33 33 LYS H H 33 8.338 8.338 8.266 0.072 25638 3278 1 6 . 1 1 34 34 GLY N N 34 109.507 109.507 108.816 0.691 25638 3279 1 6 . 1 1 34 34 GLY C C 34 175.475 175.475 174.096 1.379 25638 3280 1 6 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.234 0.084 25638 3281 1 6 . 1 1 34 34 GLY H H 34 8.643 8.643 8.155 0.488 25638 3282 1 6 . 1 1 35 35 LEU N N 35 120.392 120.392 118.597 1.795 25638 3283 1 6 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.678 -0.163 25638 3284 1 6 . 1 1 35 35 LEU C C 35 178.797 178.797 176.717 2.080 25638 3285 1 6 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.317 1.132 25638 3286 1 6 . 1 1 35 35 LEU CB C 35 43.116 43.116 44.315 -1.198 25638 3287 1 6 . 1 1 35 35 LEU H H 35 7.480 7.480 7.430 0.050 25638 3288 1 6 . 1 1 36 36 SER N N 36 118.629 118.629 115.824 2.805 25638 3289 1 6 . 1 1 36 36 SER HA H 36 4.471 4.471 4.531 -0.060 25638 3290 1 6 . 1 1 36 36 SER C C 36 175.632 175.632 175.418 0.214 25638 3291 1 6 . 1 1 36 36 SER CA C 36 57.814 57.814 57.975 -0.161 25638 3292 1 6 . 1 1 36 36 SER CB C 36 64.678 64.678 63.896 0.782 25638 3293 1 6 . 1 1 36 36 SER H H 36 8.838 8.838 8.262 0.576 25638 3294 1 6 . 1 1 37 37 GLU N N 37 122.722 122.722 122.674 0.048 25638 3295 1 6 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.100 -0.086 25638 3296 1 6 . 1 1 37 37 GLU C C 37 179.976 179.976 179.182 0.794 25638 3297 1 6 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.371 1.207 25638 3298 1 6 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.701 -0.351 25638 3299 1 6 . 1 1 37 37 GLU H H 37 9.018 9.018 9.029 -0.011 25638 3300 1 6 . 1 1 38 38 ARG N N 38 118.418 118.418 119.731 -1.313 25638 3301 1 6 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.320 -0.207 25638 3302 1 6 . 1 1 38 38 ARG C C 38 180.212 180.212 178.277 1.935 25638 3303 1 6 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.584 0.864 25638 3304 1 6 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.217 -0.410 25638 3305 1 6 . 1 1 38 38 ARG H H 38 8.509 8.509 8.404 0.105 25638 3306 1 6 . 1 1 39 39 GLU N N 39 119.730 119.730 120.287 -0.557 25638 3307 1 6 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.059 0.031 25638 3308 1 6 . 1 1 39 39 GLU C C 39 180.529 180.529 179.226 1.303 25638 3309 1 6 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.658 -0.765 25638 3310 1 6 . 1 1 39 39 GLU CB C 39 30.557 30.557 29.049 1.508 25638 3311 1 6 . 1 1 39 39 GLU H H 39 7.761 7.761 8.531 -0.770 25638 3312 1 6 . 1 1 40 40 GLN N N 40 121.665 121.665 118.410 3.255 25638 3313 1 6 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.034 0.011 25638 3314 1 6 . 1 1 40 40 GLN C C 40 179.760 179.760 178.310 1.450 25638 3315 1 6 . 1 1 40 40 GLN CA C 40 59.370 59.370 59.281 0.089 25638 3316 1 6 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.441 0.047 25638 3317 1 6 . 1 1 40 40 GLN H H 40 8.871 8.871 8.419 0.452 25638 3318 1 6 . 1 1 41 41 LEU N N 41 121.002 121.002 121.265 -0.263 25638 3319 1 6 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.022 0.205 25638 3320 1 6 . 1 1 41 41 LEU C C 41 180.841 180.841 179.303 1.538 25638 3321 1 6 . 1 1 41 41 LEU CA C 41 58.290 58.290 57.633 0.658 25638 3322 1 6 . 1 1 41 41 LEU CB C 41 41.601 41.601 42.012 -0.411 25638 3323 1 6 . 1 1 41 41 LEU H H 41 8.140 8.140 7.769 0.371 25638 3324 1 6 . 1 1 42 42 GLU N N 42 119.818 119.818 118.862 0.956 25638 3325 1 6 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.907 0.327 25638 3326 1 6 . 1 1 42 42 GLU C C 42 179.603 179.603 178.887 0.716 25638 3327 1 6 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.824 -0.914 25638 3328 1 6 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.401 -0.434 25638 3329 1 6 . 1 1 42 42 GLU H H 42 7.894 7.894 8.533 -0.639 25638 3330 1 6 . 1 1 43 43 HIS N N 43 119.964 119.964 119.533 0.431 25638 3331 1 6 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.356 0.065 25638 3332 1 6 . 1 1 43 43 HIS C C 43 179.140 179.140 177.808 1.332 25638 3333 1 6 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.017 -0.204 25638 3334 1 6 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.001 -0.557 25638 3335 1 6 . 1 1 43 43 HIS H H 43 8.437 8.437 8.285 0.152 25638 3336 1 6 . 1 1 44 44 THR N N 44 117.768 117.768 116.022 1.746 25638 3337 1 6 . 1 1 44 44 THR HA H 44 3.884 3.884 4.028 -0.144 25638 3338 1 6 . 1 1 44 44 THR C C 44 179.008 179.008 177.002 2.006 25638 3339 1 6 . 1 1 44 44 THR CA C 44 67.603 67.603 67.274 0.329 25638 3340 1 6 . 1 1 44 44 THR CB C 44 68.981 68.981 68.318 0.663 25638 3341 1 6 . 1 1 44 44 THR H H 44 8.589 8.589 8.286 0.303 25638 3342 1 6 . 1 1 45 45 ARG N N 45 121.750 121.750 121.619 0.131 25638 3343 1 6 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.091 -0.212 25638 3344 1 6 . 1 1 45 45 ARG C C 45 178.817 178.817 178.689 0.128 25638 3345 1 6 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.150 1.709 25638 3346 1 6 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.446 1.270 25638 3347 1 6 . 1 1 45 45 ARG H H 45 8.255 8.255 8.183 0.072 25638 3348 1 6 . 1 1 46 46 GLN N N 46 116.576 116.576 119.561 -2.985 25638 3349 1 6 . 1 1 46 46 GLN HA H 46 4.024 4.024 3.975 0.049 25638 3350 1 6 . 1 1 46 46 GLN C C 46 181.018 181.018 178.559 2.459 25638 3351 1 6 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.923 0.652 25638 3352 1 6 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.499 -0.744 25638 3353 1 6 . 1 1 46 46 GLN H H 46 8.328 8.328 8.343 -0.015 25638 3354 1 6 . 1 1 47 47 CYS N N 47 118.569 118.569 119.559 -0.990 25638 3355 1 6 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.059 0.024 25638 3356 1 6 . 1 1 47 47 CYS C C 47 177.244 177.244 176.867 0.377 25638 3357 1 6 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.077 0.027 25638 3358 1 6 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.131 -0.068 25638 3359 1 6 . 1 1 47 47 CYS H H 47 8.029 8.029 8.455 -0.426 25638 3360 1 6 . 1 1 48 48 LEU N N 48 119.873 119.873 120.723 -0.850 25638 3361 1 6 . 1 1 48 48 LEU HA H 48 4.069 4.069 3.937 0.132 25638 3362 1 6 . 1 1 48 48 LEU C C 48 179.839 179.839 179.146 0.693 25638 3363 1 6 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.490 -0.178 25638 3364 1 6 . 1 1 48 48 LEU CB C 48 42.225 42.225 42.227 -0.002 25638 3365 1 6 . 1 1 48 48 LEU H H 48 8.539 8.539 8.084 0.455 25638 3366 1 6 . 1 1 49 49 ILE N N 49 119.523 119.523 116.762 2.761 25638 3367 1 6 . 1 1 49 49 ILE HA H 49 3.970 3.970 3.924 0.046 25638 3368 1 6 . 1 1 49 49 ILE C C 49 178.188 178.188 177.670 0.518 25638 3369 1 6 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.277 0.934 25638 3370 1 6 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.201 0.794 25638 3371 1 6 . 1 1 49 49 ILE H H 49 8.516 8.516 8.295 0.221 25638 3372 1 6 . 1 1 50 50 LYS N N 50 118.622 118.622 120.185 -1.563 25638 3373 1 6 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.100 0.093 25638 3374 1 6 . 1 1 50 50 LYS C C 50 181.391 181.391 178.970 2.421 25638 3375 1 6 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.309 0.238 25638 3376 1 6 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.152 0.438 25638 3377 1 6 . 1 1 50 50 LYS H H 50 7.522 7.522 7.962 -0.440 25638 3378 1 6 . 1 1 51 51 ILE N N 51 119.288 119.288 119.420 -0.132 25638 3379 1 6 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.594 -0.145 25638 3380 1 6 . 1 1 51 51 ILE C C 51 178.384 178.384 177.992 0.392 25638 3381 1 6 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.905 -0.138 25638 3382 1 6 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.866 1.114 25638 3383 1 6 . 1 1 51 51 ILE H H 51 8.107 8.107 8.560 -0.453 25638 3384 1 6 . 1 1 52 52 GLY N N 52 108.211 108.211 106.902 1.309 25638 3385 1 6 . 1 1 52 52 GLY C C 52 178.168 178.168 175.571 2.597 25638 3386 1 6 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.579 0.485 25638 3387 1 6 . 1 1 52 52 GLY H H 52 9.224 9.224 8.312 0.912 25638 3388 1 6 . 1 1 53 53 ASP N N 53 124.013 124.013 123.441 0.572 25638 3389 1 6 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.442 0.092 25638 3390 1 6 . 1 1 53 53 ASP C C 53 179.976 179.976 178.375 1.601 25638 3391 1 6 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.570 0.058 25638 3392 1 6 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.751 -1.469 25638 3393 1 6 . 1 1 53 53 ASP H H 53 9.091 9.091 8.650 0.441 25638 3394 1 6 . 1 1 54 54 HIS N N 54 121.598 121.598 119.566 2.032 25638 3395 1 6 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.236 0.170 25638 3396 1 6 . 1 1 54 54 HIS C C 54 178.982 178.982 177.936 1.046 25638 3397 1 6 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.869 0.591 25638 3398 1 6 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.624 1.943 25638 3399 1 6 . 1 1 54 54 HIS H H 54 7.664 7.664 8.010 -0.346 25638 3400 1 6 . 1 1 55 55 ILE N N 55 121.892 121.892 120.411 1.481 25638 3401 1 6 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.461 -0.277 25638 3402 1 6 . 1 1 55 55 ILE C C 55 178.188 178.188 177.856 0.332 25638 3403 1 6 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.580 2.097 25638 3404 1 6 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.302 -0.058 25638 3405 1 6 . 1 1 55 55 ILE H H 55 8.255 8.255 8.121 0.134 25638 3406 1 6 . 1 1 56 56 THR N N 56 115.458 115.458 115.883 -0.425 25638 3407 1 6 . 1 1 56 56 THR HA H 56 3.759 3.759 3.908 -0.149 25638 3408 1 6 . 1 1 56 56 THR C C 56 180.195 180.195 176.670 3.525 25638 3409 1 6 . 1 1 56 56 THR CA C 56 67.551 67.551 67.111 0.440 25638 3410 1 6 . 1 1 56 56 THR CB C 56 68.756 68.756 68.298 0.458 25638 3411 1 6 . 1 1 56 56 THR H H 56 8.047 8.047 7.914 0.133 25638 3412 1 6 . 1 1 57 57 GLU N N 57 121.544 121.544 120.401 1.143 25638 3413 1 6 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.029 -0.075 25638 3414 1 6 . 1 1 57 57 GLU C C 57 180.979 180.979 178.131 2.848 25638 3415 1 6 . 1 1 57 57 GLU CA C 57 59.379 59.379 58.927 0.452 25638 3416 1 6 . 1 1 57 57 GLU CB C 57 28.740 28.740 28.968 -0.228 25638 3417 1 6 . 1 1 57 57 GLU H H 57 7.591 7.591 8.316 -0.725 25638 3418 1 6 . 1 1 58 58 CYS N N 58 118.970 118.970 117.233 1.737 25638 3419 1 6 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.124 -0.184 25638 3420 1 6 . 1 1 58 58 CYS C C 58 178.089 178.089 177.006 1.083 25638 3421 1 6 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.290 0.932 25638 3422 1 6 . 1 1 58 58 CYS CB C 58 26.562 26.562 27.966 -1.404 25638 3423 1 6 . 1 1 58 58 CYS H H 58 8.206 8.206 7.620 0.586 25638 3424 1 6 . 1 1 59 59 LEU N N 59 116.873 116.873 119.525 -2.652 25638 3425 1 6 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.432 -0.181 25638 3426 1 6 . 1 1 59 59 LEU C C 59 179.033 179.033 178.196 0.837 25638 3427 1 6 . 1 1 59 59 LEU CA C 59 56.039 56.039 55.912 0.127 25638 3428 1 6 . 1 1 59 59 LEU CB C 59 41.037 41.037 40.633 0.404 25638 3429 1 6 . 1 1 59 59 LEU H H 59 7.726 7.726 8.102 -0.376 25638 3430 1 6 . 1 1 60 60 LYS N N 60 117.911 117.911 116.894 1.017 25638 3431 1 6 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.046 0.085 25638 3432 1 6 . 1 1 60 60 LYS C C 60 177.912 177.912 177.351 0.561 25638 3433 1 6 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.659 -0.122 25638 3434 1 6 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.874 0.516 25638 3435 1 6 . 1 1 60 60 LYS H H 60 7.298 7.298 7.852 -0.554 25638 3436 1 6 . 1 1 61 61 GLU N N 61 115.507 115.507 118.358 -2.851 25638 3437 1 6 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.946 -0.057 25638 3438 1 6 . 1 1 61 61 GLU C C 61 176.576 176.576 176.286 0.290 25638 3439 1 6 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.779 -0.729 25638 3440 1 6 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.832 -0.098 25638 3441 1 6 . 1 1 61 61 GLU H H 61 7.084 7.084 7.478 -0.394 25638 3442 1 6 . 1 1 62 62 TYR N N 62 118.581 118.581 117.210 1.371 25638 3443 1 6 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.582 0.124 25638 3444 1 6 . 1 1 62 62 TYR C C 62 175.935 175.935 175.976 -0.041 25638 3445 1 6 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.943 -0.796 25638 3446 1 6 . 1 1 62 62 TYR CB C 62 40.385 40.385 39.062 1.323 25638 3447 1 6 . 1 1 62 62 TYR H H 62 7.387 7.387 7.041 0.346 25638 3448 1 6 . 1 1 63 63 THR N N 63 109.064 109.064 114.078 -5.014 25638 3449 1 6 . 1 1 63 63 THR HA H 63 4.507 4.507 4.318 0.189 25638 3450 1 6 . 1 1 63 63 THR C C 63 175.888 175.888 174.867 1.021 25638 3451 1 6 . 1 1 63 63 THR CA C 63 61.684 61.684 61.915 -0.231 25638 3452 1 6 . 1 1 63 63 THR CB C 63 70.092 70.092 69.584 0.508 25638 3453 1 6 . 1 1 63 63 THR H H 63 8.471 8.471 8.401 0.070 25638 3454 1 6 . 1 1 64 64 ASN N N 64 123.204 123.204 121.418 1.786 25638 3455 1 6 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.912 0.259 25638 3456 1 6 . 1 1 64 64 ASN C C 64 175.495 175.495 175.144 0.351 25638 3457 1 6 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.227 -1.090 25638 3458 1 6 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.727 0.953 25638 3459 1 6 . 1 1 64 64 ASN H H 64 7.993 7.993 8.340 -0.347 25638 3460 1 6 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.280 -0.010 25638 3461 1 6 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.487 0.205 25638 3462 1 6 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.051 0.348 25638 3463 1 6 . 1 1 66 66 GLU N N 66 118.060 118.060 119.698 -1.638 25638 3464 1 6 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.061 0.071 25638 3465 1 6 . 1 1 66 66 GLU C C 66 180.409 180.409 179.100 1.309 25638 3466 1 6 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.920 -0.547 25638 3467 1 6 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.656 0.147 25638 3468 1 6 . 1 1 66 66 GLU H H 66 8.297 8.297 8.853 -0.556 25638 3469 1 6 . 1 1 67 67 GLN N N 67 120.531 120.531 118.156 2.375 25638 3470 1 6 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.940 0.227 25638 3471 1 6 . 1 1 67 67 GLN C C 67 179.072 179.072 178.687 0.385 25638 3472 1 6 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.008 -0.180 25638 3473 1 6 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.439 0.804 25638 3474 1 6 . 1 1 67 67 GLN H H 67 7.738 7.738 8.250 -0.512 25638 3475 1 6 . 1 1 68 68 ILE N N 68 119.632 119.632 118.269 1.363 25638 3476 1 6 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.963 -0.415 25638 3477 1 6 . 1 1 68 68 ILE C C 68 178.109 178.109 178.097 0.012 25638 3478 1 6 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.113 1.484 25638 3479 1 6 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.529 1.410 25638 3480 1 6 . 1 1 68 68 ILE H H 68 7.956 7.956 8.287 -0.331 25638 3481 1 6 . 1 1 69 69 LYS N N 69 117.236 117.236 119.699 -2.463 25638 3482 1 6 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.046 -0.117 25638 3483 1 6 . 1 1 69 69 LYS C C 69 180.271 180.271 179.187 1.084 25638 3484 1 6 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.520 0.401 25638 3485 1 6 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.188 0.419 25638 3486 1 6 . 1 1 69 69 LYS H H 69 7.665 7.665 7.965 -0.300 25638 3487 1 6 . 1 1 70 70 GLN N N 70 118.748 118.748 120.240 -1.492 25638 3488 1 6 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.061 -0.206 25638 3489 1 6 . 1 1 70 70 GLN C C 70 179.131 179.131 178.112 1.019 25638 3490 1 6 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.368 -0.116 25638 3491 1 6 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.097 0.580 25638 3492 1 6 . 1 1 70 70 GLN H H 70 7.787 7.787 8.338 -0.551 25638 3493 1 6 . 1 1 71 71 TRP N N 71 118.896 118.896 120.001 -1.105 25638 3494 1 6 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.312 -0.269 25638 3495 1 6 . 1 1 71 71 TRP C C 71 178.679 178.679 178.687 -0.008 25638 3496 1 6 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.260 1.689 25638 3497 1 6 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.234 -0.990 25638 3498 1 6 . 1 1 71 71 TRP H H 71 8.374 8.374 8.492 -0.118 25638 3499 1 6 . 1 1 72 72 ARG N N 72 122.698 122.698 119.247 3.451 25638 3500 1 6 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.980 -0.161 25638 3501 1 6 . 1 1 72 72 ARG C C 72 178.561 178.561 178.650 -0.089 25638 3502 1 6 . 1 1 72 72 ARG CA C 72 61.032 61.032 60.298 0.734 25638 3503 1 6 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.201 0.068 25638 3504 1 6 . 1 1 72 72 ARG H H 72 8.808 8.808 8.404 0.404 25638 3505 1 6 . 1 1 73 73 LYS N N 73 116.946 116.946 118.118 -1.172 25638 3506 1 6 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.304 -0.124 25638 3507 1 6 . 1 1 73 73 LYS C C 73 179.622 179.622 178.891 0.731 25638 3508 1 6 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.295 0.240 25638 3509 1 6 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.121 -0.406 25638 3510 1 6 . 1 1 73 73 LYS H H 73 7.380 7.380 7.718 -0.338 25638 3511 1 6 . 1 1 74 74 ASN N N 74 116.434 116.434 120.228 -3.794 25638 3512 1 6 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.558 -0.281 25638 3513 1 6 . 1 1 74 74 ASN C C 74 178.148 178.148 178.223 -0.075 25638 3514 1 6 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.207 -0.344 25638 3515 1 6 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.154 -0.120 25638 3516 1 6 . 1 1 74 74 ASN H H 74 8.309 8.309 8.422 -0.113 25638 3517 1 6 . 1 1 75 75 LEU N N 75 118.967 118.967 121.180 -2.213 25638 3518 1 6 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.290 -0.165 25638 3519 1 6 . 1 1 75 75 LEU C C 75 180.251 180.251 178.990 1.261 25638 3520 1 6 . 1 1 75 75 LEU CA C 75 58.827 58.827 59.262 -0.435 25638 3521 1 6 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.776 -0.792 25638 3522 1 6 . 1 1 75 75 LEU H H 75 8.635 8.635 8.493 0.142 25638 3523 1 6 . 1 1 76 76 TRP N N 76 118.544 118.544 119.583 -1.039 25638 3524 1 6 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.299 0.280 25638 3525 1 6 . 1 1 76 76 TRP C C 76 180.900 180.900 179.182 1.718 25638 3526 1 6 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.541 0.875 25638 3527 1 6 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.562 -0.464 25638 3528 1 6 . 1 1 76 76 TRP H H 76 8.006 8.006 7.528 0.478 25638 3529 1 6 . 1 1 77 77 ILE N N 77 121.982 121.982 119.437 2.545 25638 3530 1 6 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.682 0.149 25638 3531 1 6 . 1 1 77 77 ILE C C 77 181.254 181.254 177.890 3.364 25638 3532 1 6 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.562 0.479 25638 3533 1 6 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.014 -0.664 25638 3534 1 6 . 1 1 77 77 ILE H H 77 8.893 8.893 8.922 -0.029 25638 3535 1 6 . 1 1 78 78 PHE N N 78 123.458 123.458 120.702 2.756 25638 3536 1 6 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.243 -0.199 25638 3537 1 6 . 1 1 78 78 PHE C C 78 177.618 177.618 177.477 0.141 25638 3538 1 6 . 1 1 78 78 PHE CA C 78 63.080 63.080 62.185 0.895 25638 3539 1 6 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.128 -0.418 25638 3540 1 6 . 1 1 78 78 PHE H H 78 8.753 8.753 8.350 0.403 25638 3541 1 6 . 1 1 79 79 VAL N N 79 117.726 117.726 118.693 -0.967 25638 3542 1 6 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.581 -0.102 25638 3543 1 6 . 1 1 79 79 VAL C C 79 178.876 178.876 178.108 0.768 25638 3544 1 6 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.528 0.286 25638 3545 1 6 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.391 0.181 25638 3546 1 6 . 1 1 79 79 VAL H H 79 8.232 8.232 8.286 -0.054 25638 3547 1 6 . 1 1 80 80 SER N N 80 114.568 114.568 115.333 -0.765 25638 3548 1 6 . 1 1 80 80 SER HA H 80 4.339 4.339 4.463 -0.124 25638 3549 1 6 . 1 1 80 80 SER C C 80 176.261 176.261 176.344 -0.083 25638 3550 1 6 . 1 1 80 80 SER CA C 80 61.337 61.337 61.253 0.084 25638 3551 1 6 . 1 1 80 80 SER CB C 80 62.712 62.712 62.860 -0.148 25638 3552 1 6 . 1 1 80 80 SER H H 80 8.353 8.353 8.477 -0.124 25638 3553 1 6 . 1 1 81 81 LYS N N 81 121.180 121.180 119.728 1.452 25638 3554 1 6 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.184 0.014 25638 3555 1 6 . 1 1 81 81 LYS C C 81 178.305 178.305 178.022 0.283 25638 3556 1 6 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.224 -1.120 25638 3557 1 6 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.553 -1.895 25638 3558 1 6 . 1 1 81 81 LYS H H 81 7.481 7.481 7.584 -0.103 25638 3559 1 6 . 1 1 82 82 PHE N N 82 117.950 117.950 117.711 0.239 25638 3560 1 6 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.301 0.096 25638 3561 1 6 . 1 1 82 82 PHE C C 82 174.787 174.787 176.527 -1.740 25638 3562 1 6 . 1 1 82 82 PHE CA C 82 58.398 58.398 60.599 -2.201 25638 3563 1 6 . 1 1 82 82 PHE CB C 82 38.937 38.937 39.375 -0.438 25638 3564 1 6 . 1 1 82 82 PHE H H 82 8.256 8.256 7.639 0.617 25638 3565 1 6 . 1 1 83 83 THR N N 83 109.995 109.995 111.805 -1.810 25638 3566 1 6 . 1 1 83 83 THR HA H 83 4.988 4.988 4.429 0.559 25638 3567 1 6 . 1 1 83 83 THR C C 83 174.138 174.138 175.001 -0.863 25638 3568 1 6 . 1 1 83 83 THR CA C 83 59.609 59.609 61.568 -1.959 25638 3569 1 6 . 1 1 83 83 THR CB C 83 71.080 71.080 70.491 0.589 25638 3570 1 6 . 1 1 83 83 THR H H 83 7.665 7.665 7.798 -0.133 25638 3571 1 6 . 1 1 84 84 GLU N N 84 119.416 119.416 122.032 -2.616 25638 3572 1 6 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.177 0.218 25638 3573 1 6 . 1 1 84 84 GLU C C 84 177.912 177.912 177.037 0.875 25638 3574 1 6 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.759 -1.263 25638 3575 1 6 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.561 -0.039 25638 3576 1 6 . 1 1 84 84 GLU H H 84 8.409 8.409 8.721 -0.312 25638 3577 1 6 . 1 1 85 85 PHE N N 85 120.265 120.265 121.926 -1.661 25638 3578 1 6 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.461 0.430 25638 3579 1 6 . 1 1 85 85 PHE C C 85 175.809 175.809 175.041 0.768 25638 3580 1 6 . 1 1 85 85 PHE CA C 85 56.109 56.109 58.422 -2.312 25638 3581 1 6 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.092 2.096 25638 3582 1 6 . 1 1 85 85 PHE H H 85 8.210 8.210 7.716 0.494 25638 3583 1 6 . 1 1 86 86 ASP N N 86 118.128 118.128 124.462 -6.334 25638 3584 1 6 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.577 0.159 25638 3585 1 6 . 1 1 86 86 ASP C C 86 176.986 176.986 177.434 -0.448 25638 3586 1 6 . 1 1 86 86 ASP CA C 86 53.183 53.183 54.770 -1.587 25638 3587 1 6 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.824 -0.291 25638 3588 1 6 . 1 1 86 86 ASP H H 86 8.119 8.119 8.196 -0.077 25638 3589 1 6 . 1 1 87 87 ALA N N 87 121.912 121.912 127.454 -5.542 25638 3590 1 6 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.010 -0.021 25638 3591 1 6 . 1 1 87 87 ALA C C 87 180.378 180.378 179.531 0.847 25638 3592 1 6 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.696 0.379 25638 3593 1 6 . 1 1 87 87 ALA CB C 87 20.207 20.207 19.084 1.123 25638 3594 1 6 . 1 1 87 87 ALA H H 87 8.757 8.757 8.333 0.424 25638 3595 1 6 . 1 1 88 88 ARG N N 88 117.072 117.072 117.107 -0.035 25638 3596 1 6 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.910 0.046 25638 3597 1 6 . 1 1 88 88 ARG C C 88 179.975 179.975 178.694 1.281 25638 3598 1 6 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.647 -0.395 25638 3599 1 6 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.924 -0.311 25638 3600 1 6 . 1 1 88 88 ARG H H 88 8.147 8.147 8.032 0.115 25638 3601 1 6 . 1 1 89 89 LYS N N 89 121.809 121.809 120.400 1.409 25638 3602 1 6 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.110 -0.201 25638 3603 1 6 . 1 1 89 89 LYS C C 89 179.505 179.505 178.978 0.527 25638 3604 1 6 . 1 1 89 89 LYS CA C 89 58.986 58.986 59.303 -0.317 25638 3605 1 6 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.104 0.230 25638 3606 1 6 . 1 1 89 89 LYS H H 89 8.022 8.022 7.660 0.362 25638 3607 1 6 . 1 1 90 90 LEU N N 90 118.429 118.429 120.218 -1.789 25638 3608 1 6 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.825 -0.081 25638 3609 1 6 . 1 1 90 90 LEU C C 90 178.069 178.069 178.390 -0.321 25638 3610 1 6 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.170 -0.127 25638 3611 1 6 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.798 0.664 25638 3612 1 6 . 1 1 90 90 LEU H H 90 8.139 8.139 8.613 -0.474 25638 3613 1 6 . 1 1 91 91 HIS N N 91 117.214 117.214 117.614 -0.400 25638 3614 1 6 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.504 0.475 25638 3615 1 6 . 1 1 91 91 HIS C C 91 178.069 178.069 177.096 0.973 25638 3616 1 6 . 1 1 91 91 HIS CA C 91 58.178 58.178 60.539 -2.361 25638 3617 1 6 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.561 -0.133 25638 3618 1 6 . 1 1 91 91 HIS H H 91 7.379 7.379 7.530 -0.151 25638 3619 1 6 . 1 1 92 92 LYS N N 92 118.466 118.466 119.740 -1.274 25638 3620 1 6 . 1 1 92 92 LYS HA H 92 3.635 3.635 4.136 -0.501 25638 3621 1 6 . 1 1 92 92 LYS C C 92 180.310 180.310 178.908 1.402 25638 3622 1 6 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.547 0.377 25638 3623 1 6 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.163 0.202 25638 3624 1 6 . 1 1 92 92 LYS H H 92 7.599 7.599 7.608 -0.009 25638 3625 1 6 . 1 1 93 93 LEU N N 93 120.752 120.752 121.205 -0.453 25638 3626 1 6 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.804 0.179 25638 3627 1 6 . 1 1 93 93 LEU C C 93 181.269 181.269 179.170 2.099 25638 3628 1 6 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.222 -0.222 25638 3629 1 6 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.638 0.701 25638 3630 1 6 . 1 1 93 93 LEU H H 93 8.351 8.351 8.095 0.256 25638 3631 1 6 . 1 1 94 94 TYR N N 94 122.311 122.311 119.915 2.396 25638 3632 1 6 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.002 0.134 25638 3633 1 6 . 1 1 94 94 TYR C C 94 176.789 176.789 177.452 -0.663 25638 3634 1 6 . 1 1 94 94 TYR CA C 94 61.300 61.300 62.094 -0.794 25638 3635 1 6 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.366 0.212 25638 3636 1 6 . 1 1 94 94 TYR H H 94 8.290 8.290 8.564 -0.274 25638 3637 1 6 . 1 1 95 95 LYS N N 95 117.851 117.851 118.510 -0.659 25638 3638 1 6 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.743 -0.317 25638 3639 1 6 . 1 1 95 95 LYS C C 95 180.684 180.684 179.134 1.550 25638 3640 1 6 . 1 1 95 95 LYS CA C 95 59.379 59.379 58.852 0.527 25638 3641 1 6 . 1 1 95 95 LYS CB C 95 31.248 31.248 31.979 -0.731 25638 3642 1 6 . 1 1 95 95 LYS H H 95 8.180 8.180 7.972 0.208 25638 3643 1 6 . 1 1 96 96 HIS N N 96 117.611 117.611 118.080 -0.469 25638 3644 1 6 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.186 0.027 25638 3645 1 6 . 1 1 96 96 HIS C C 96 178.266 178.266 177.473 0.793 25638 3646 1 6 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.709 -0.435 25638 3647 1 6 . 1 1 96 96 HIS CB C 96 30.203 30.203 30.037 0.166 25638 3648 1 6 . 1 1 96 96 HIS H H 96 8.049 8.049 8.320 -0.271 25638 3649 1 6 . 1 1 97 97 ALA N N 97 122.617 122.617 121.558 1.059 25638 3650 1 6 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.060 0.031 25638 3651 1 6 . 1 1 97 97 ALA C C 97 181.352 181.352 179.552 1.800 25638 3652 1 6 . 1 1 97 97 ALA CA C 97 54.645 54.645 54.788 -0.142 25638 3653 1 6 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.376 -0.607 25638 3654 1 6 . 1 1 97 97 ALA H H 97 8.104 8.104 7.911 0.193 25638 3655 1 6 . 1 1 98 98 ILE N N 98 111.626 111.626 119.725 -8.099 25638 3656 1 6 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.497 0.612 25638 3657 1 6 . 1 1 98 98 ILE C C 98 178.561 178.561 177.253 1.308 25638 3658 1 6 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.011 -1.281 25638 3659 1 6 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.892 -0.246 25638 3660 1 6 . 1 1 98 98 ILE H H 98 7.636 7.636 8.029 -0.393 25638 3661 1 6 . 1 1 99 99 LYS N N 99 124.158 124.158 119.163 4.995 25638 3662 1 6 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.944 0.101 25638 3663 1 6 . 1 1 99 99 LYS C C 99 179.111 179.111 178.515 0.596 25638 3664 1 6 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.020 0.050 25638 3665 1 6 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.037 0.135 25638 3666 1 6 . 1 1 99 99 LYS H H 99 7.359 7.359 7.844 -0.485 25638 3667 1 6 . 1 1 100 100 LYS N N 100 118.333 118.333 118.290 0.043 25638 3668 1 6 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.133 0.010 25638 3669 1 6 . 1 1 100 100 LYS C C 100 179.111 179.111 177.901 1.210 25638 3670 1 6 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.299 -1.087 25638 3671 1 6 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.675 -0.933 25638 3672 1 6 . 1 1 100 100 LYS H H 100 7.937 7.937 7.908 0.029 25638 3673 1 6 . 1 1 101 101 ARG N N 101 121.125 121.125 118.136 2.989 25638 3674 1 6 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.312 -0.183 25638 3675 1 6 . 1 1 101 101 ARG C C 101 178.541 178.541 176.426 2.115 25638 3676 1 6 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.315 1.851 25638 3677 1 6 . 1 1 101 101 ARG CB C 101 30.591 30.591 31.558 -0.967 25638 3678 1 6 . 1 1 101 101 ARG H H 101 7.895 7.895 7.653 0.242 25638 3679 1 6 . 1 1 102 102 GLN N N 102 119.756 119.756 117.325 2.431 25638 3680 1 6 . 1 1 102 102 GLN HA H 102 4.207 4.207 3.948 0.259 25638 3681 1 6 . 1 1 102 102 GLN C C 102 178.129 178.129 175.192 2.937 25638 3682 1 6 . 1 1 102 102 GLN CA C 102 56.912 56.912 57.211 -0.299 25638 3683 1 6 . 1 1 102 102 GLN CB C 102 28.921 28.921 26.129 2.792 25638 3684 1 6 . 1 1 102 102 GLN H H 102 8.167 8.167 8.225 -0.058 25638 3685 1 6 . 1 1 103 103 GLU N N 103 120.553 120.553 114.025 6.528 25638 3686 1 6 . 1 1 103 103 GLU HA H 103 4.200 4.200 3.955 0.245 25638 3687 1 6 . 1 1 103 103 GLU C C 103 178.286 178.286 175.755 2.531 25638 3688 1 6 . 1 1 103 103 GLU CA C 103 57.505 57.505 57.745 -0.240 25638 3689 1 6 . 1 1 103 103 GLU CB C 103 29.924 29.924 28.127 1.797 25638 3690 1 6 . 1 1 103 103 GLU H H 103 8.189 8.189 8.868 -0.679 25638 3691 1 6 . 1 1 104 104 SER N N 104 115.381 115.381 115.002 0.379 25638 3692 1 6 . 1 1 104 104 SER HA H 104 4.431 4.431 4.545 -0.114 25638 3693 1 6 . 1 1 104 104 SER C C 104 175.750 175.750 174.261 1.489 25638 3694 1 6 . 1 1 104 104 SER CA C 104 59.154 59.154 59.072 0.082 25638 3695 1 6 . 1 1 104 104 SER CB C 104 63.456 63.456 64.397 -0.941 25638 3696 1 6 . 1 1 104 104 SER H H 104 8.099 8.099 8.084 0.015 25638 3697 1 6 . 1 1 105 105 GLN N N 105 121.635 121.635 118.946 2.689 25638 3698 1 6 . 1 1 105 105 GLN HA H 105 4.335 4.335 3.891 0.444 25638 3699 1 6 . 1 1 105 105 GLN C C 105 177.008 177.008 175.209 1.799 25638 3700 1 6 . 1 1 105 105 GLN CA C 105 56.053 56.053 56.551 -0.498 25638 3701 1 6 . 1 1 105 105 GLN CB C 105 29.128 29.128 27.829 1.299 25638 3702 1 6 . 1 1 105 105 GLN H H 105 8.170 8.170 8.646 -0.476 25638 3703 1 6 . 1 1 106 106 GLN N N 106 120.850 120.850 122.961 -2.111 25638 3704 1 6 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.384 -0.053 25638 3705 1 6 . 1 1 106 106 GLN C C 106 176.713 176.713 176.037 0.676 25638 3706 1 6 . 1 1 106 106 GLN CA C 106 55.951 55.951 56.544 -0.593 25638 3707 1 6 . 1 1 106 106 GLN CB C 106 29.254 29.254 29.822 -0.568 25638 3708 1 6 . 1 1 106 106 GLN H H 106 8.281 8.281 8.584 -0.303 25638 3709 1 6 . 1 1 107 107 ASN N N 107 120.271 120.271 115.033 5.238 25638 3710 1 6 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.693 0.097 25638 3711 1 6 . 1 1 107 107 ASN C C 107 175.337 175.337 174.924 0.413 25638 3712 1 6 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.539 -0.186 25638 3713 1 6 . 1 1 107 107 ASN CB C 107 39.094 39.094 38.813 0.281 25638 3714 1 6 . 1 1 107 107 ASN H H 107 8.434 8.434 8.235 0.199 25638 3715 1 7 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.907 -0.462 25638 3716 1 7 . 1 1 2 2 PRO C C 2 178.089 178.089 176.338 1.751 25638 3717 1 7 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.508 0.798 25638 3718 1 7 . 1 1 2 2 PRO CB C 2 32.468 32.468 33.809 -1.341 25638 3719 1 7 . 1 1 3 3 LEU N N 3 122.239 122.239 119.612 2.627 25638 3720 1 7 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.405 -0.108 25638 3721 1 7 . 1 1 3 3 LEU C C 3 178.876 178.876 177.544 1.332 25638 3722 1 7 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.704 0.825 25638 3723 1 7 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.165 -0.015 25638 3724 1 7 . 1 1 3 3 LEU H H 3 8.522 8.522 8.389 0.133 25638 3725 1 7 . 1 1 4 4 GLY N N 4 109.572 109.572 107.302 2.270 25638 3726 1 7 . 1 1 4 4 GLY C C 4 174.630 174.630 173.218 1.412 25638 3727 1 7 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.099 1.234 25638 3728 1 7 . 1 1 4 4 GLY H H 4 8.349 8.349 7.665 0.684 25638 3729 1 7 . 1 1 5 5 SER N N 5 115.481 115.481 117.488 -2.007 25638 3730 1 7 . 1 1 5 5 SER HA H 5 4.513 4.513 4.435 0.078 25638 3731 1 7 . 1 1 5 5 SER C C 5 174.667 174.667 174.165 0.502 25638 3732 1 7 . 1 1 5 5 SER CA C 5 57.801 57.801 58.450 -0.649 25638 3733 1 7 . 1 1 5 5 SER CB C 5 64.536 64.536 63.415 1.121 25638 3734 1 7 . 1 1 5 5 SER H H 5 8.119 8.119 8.092 0.027 25638 3735 1 7 . 1 1 6 6 LEU N N 6 121.895 121.895 122.887 -0.992 25638 3736 1 7 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.114 0.540 25638 3737 1 7 . 1 1 6 6 LEU C C 6 177.932 177.932 176.003 1.929 25638 3738 1 7 . 1 1 6 6 LEU CA C 6 53.922 53.922 55.737 -1.815 25638 3739 1 7 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.353 2.253 25638 3740 1 7 . 1 1 6 6 LEU H H 6 8.319 8.319 8.449 -0.130 25638 3741 1 7 . 1 1 7 7 ASP N N 7 121.978 121.978 119.289 2.689 25638 3742 1 7 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.657 -0.051 25638 3743 1 7 . 1 1 7 7 ASP C C 7 176.477 176.477 177.731 -1.254 25638 3744 1 7 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.938 -1.720 25638 3745 1 7 . 1 1 7 7 ASP CB C 7 40.958 40.958 41.922 -0.964 25638 3746 1 7 . 1 1 7 7 ASP H H 7 8.318 8.318 8.385 -0.067 25638 3747 1 7 . 1 1 8 8 GLN N N 8 119.885 119.885 123.265 -3.380 25638 3748 1 7 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.021 0.065 25638 3749 1 7 . 1 1 8 8 GLN C C 8 179.710 179.710 177.893 1.817 25638 3750 1 7 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.515 0.310 25638 3751 1 7 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.505 -0.021 25638 3752 1 7 . 1 1 8 8 GLN H H 8 8.746 8.746 8.744 0.002 25638 3753 1 7 . 1 1 9 9 LYS N N 9 120.863 120.863 120.303 0.560 25638 3754 1 7 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.210 -0.013 25638 3755 1 7 . 1 1 9 9 LYS C C 9 180.333 180.333 178.843 1.490 25638 3756 1 7 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.987 -0.613 25638 3757 1 7 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.745 0.212 25638 3758 1 7 . 1 1 9 9 LYS H H 9 8.454 8.454 8.664 -0.210 25638 3759 1 7 . 1 1 10 10 THR N N 10 118.654 118.654 117.018 1.636 25638 3760 1 7 . 1 1 10 10 THR HA H 10 3.985 3.985 4.248 -0.263 25638 3761 1 7 . 1 1 10 10 THR C C 10 177.904 177.904 176.420 1.484 25638 3762 1 7 . 1 1 10 10 THR CA C 10 67.618 67.618 66.952 0.666 25638 3763 1 7 . 1 1 10 10 THR CB C 10 67.523 67.523 68.382 -0.859 25638 3764 1 7 . 1 1 10 10 THR H H 10 8.531 8.531 7.951 0.580 25638 3765 1 7 . 1 1 11 11 PHE N N 11 123.876 123.876 122.515 1.361 25638 3766 1 7 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.359 -0.365 25638 3767 1 7 . 1 1 11 11 PHE C C 11 177.676 177.676 177.287 0.389 25638 3768 1 7 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.190 2.029 25638 3769 1 7 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.045 0.301 25638 3770 1 7 . 1 1 11 11 PHE H H 11 9.296 9.296 8.789 0.507 25638 3771 1 7 . 1 1 12 12 SER N N 12 114.219 114.219 115.889 -1.670 25638 3772 1 7 . 1 1 12 12 SER HA H 12 4.151 4.151 4.040 0.111 25638 3773 1 7 . 1 1 12 12 SER C C 12 177.922 177.922 176.708 1.214 25638 3774 1 7 . 1 1 12 12 SER CA C 12 62.899 62.899 62.396 0.503 25638 3775 1 7 . 1 1 12 12 SER CB C 12 63.194 63.194 63.014 0.180 25638 3776 1 7 . 1 1 12 12 SER H H 12 8.306 8.306 7.977 0.329 25638 3777 1 7 . 1 1 13 13 ILE N N 13 123.613 123.613 122.012 1.601 25638 3778 1 7 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.692 0.145 25638 3779 1 7 . 1 1 13 13 ILE C C 13 179.563 179.563 177.282 2.281 25638 3780 1 7 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.125 -0.025 25638 3781 1 7 . 1 1 13 13 ILE CB C 13 38.310 38.310 38.090 0.220 25638 3782 1 7 . 1 1 13 13 ILE H H 13 7.897 7.897 8.280 -0.383 25638 3783 1 7 . 1 1 14 14 CYS N N 14 118.125 118.125 118.035 0.090 25638 3784 1 7 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.648 -0.097 25638 3785 1 7 . 1 1 14 14 CYS C C 14 176.010 176.010 175.931 0.079 25638 3786 1 7 . 1 1 14 14 CYS CA C 14 64.572 64.572 62.883 1.689 25638 3787 1 7 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.495 1.226 25638 3788 1 7 . 1 1 14 14 CYS H H 14 8.329 8.329 8.081 0.248 25638 3789 1 7 . 1 1 15 15 LYS N N 15 118.532 118.532 119.226 -0.694 25638 3790 1 7 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.831 -0.682 25638 3791 1 7 . 1 1 15 15 LYS C C 15 179.846 179.846 178.122 1.724 25638 3792 1 7 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.615 0.117 25638 3793 1 7 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.780 0.312 25638 3794 1 7 . 1 1 15 15 LYS H H 15 8.025 8.025 7.040 0.985 25638 3795 1 7 . 1 1 16 16 GLU N N 16 118.138 118.138 117.273 0.865 25638 3796 1 7 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.075 -0.048 25638 3797 1 7 . 1 1 16 16 GLU C C 16 180.959 180.959 178.573 2.386 25638 3798 1 7 . 1 1 16 16 GLU CA C 16 59.142 59.142 57.934 1.208 25638 3799 1 7 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.643 -0.530 25638 3800 1 7 . 1 1 16 16 GLU H H 16 7.403 7.403 7.472 -0.069 25638 3801 1 7 . 1 1 17 17 ARG N N 17 117.969 117.969 118.677 -0.708 25638 3802 1 7 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.015 0.048 25638 3803 1 7 . 1 1 17 17 ARG C C 17 179.544 179.544 178.652 0.892 25638 3804 1 7 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.682 0.472 25638 3805 1 7 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.203 -0.236 25638 3806 1 7 . 1 1 17 17 ARG H H 17 8.325 8.325 8.069 0.256 25638 3807 1 7 . 1 1 18 18 MET N N 18 113.332 113.332 119.833 -6.501 25638 3808 1 7 . 1 1 18 18 MET HA H 18 4.561 4.561 4.322 0.239 25638 3809 1 7 . 1 1 18 18 MET C C 18 176.890 176.890 175.386 1.504 25638 3810 1 7 . 1 1 18 18 MET CA C 18 53.377 53.377 54.603 -1.226 25638 3811 1 7 . 1 1 18 18 MET CB C 18 29.724 29.724 31.767 -2.043 25638 3812 1 7 . 1 1 18 18 MET H H 18 7.718 7.718 8.098 -0.380 25638 3813 1 7 . 1 1 19 19 ARG N N 19 123.288 123.288 120.536 2.752 25638 3814 1 7 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.179 -0.028 25638 3815 1 7 . 1 1 19 19 ARG C C 19 176.556 176.556 176.757 -0.201 25638 3816 1 7 . 1 1 19 19 ARG CA C 19 61.133 61.133 61.111 0.022 25638 3817 1 7 . 1 1 19 19 ARG CB C 19 28.258 28.258 27.990 0.268 25638 3818 1 7 . 1 1 19 19 ARG H H 19 7.152 7.152 7.773 -0.621 25638 3819 1 7 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.227 0.116 25638 3820 1 7 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.070 0.927 25638 3821 1 7 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.014 0.826 25638 3822 1 7 . 1 1 21 21 VAL N N 21 105.802 105.802 110.835 -5.033 25638 3823 1 7 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.308 0.513 25638 3824 1 7 . 1 1 21 21 VAL C C 21 176.261 176.261 176.159 0.102 25638 3825 1 7 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.212 -1.109 25638 3826 1 7 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.460 0.396 25638 3827 1 7 . 1 1 21 21 VAL H H 21 7.352 7.352 7.953 -0.601 25638 3828 1 7 . 1 1 22 22 LYS N N 22 122.802 122.802 122.450 0.352 25638 3829 1 7 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.821 -0.057 25638 3830 1 7 . 1 1 22 22 LYS C C 22 178.758 178.758 178.065 0.693 25638 3831 1 7 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.296 0.036 25638 3832 1 7 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.245 -0.031 25638 3833 1 7 . 1 1 22 22 LYS H H 22 7.640 7.640 7.396 0.244 25638 3834 1 7 . 1 1 23 23 ALA N N 23 120.067 120.067 121.039 -0.972 25638 3835 1 7 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.039 0.036 25638 3836 1 7 . 1 1 23 23 ALA C C 23 180.998 180.998 179.176 1.822 25638 3837 1 7 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.005 0.153 25638 3838 1 7 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.919 -0.005 25638 3839 1 7 . 1 1 23 23 ALA H H 23 8.571 8.571 8.396 0.175 25638 3840 1 7 . 1 1 24 24 ALA N N 24 121.068 121.068 120.927 0.141 25638 3841 1 7 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.008 0.154 25638 3842 1 7 . 1 1 24 24 ALA C C 24 180.271 180.271 179.382 0.889 25638 3843 1 7 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.399 0.357 25638 3844 1 7 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.314 -0.121 25638 3845 1 7 . 1 1 24 24 ALA H H 24 7.320 7.320 7.852 -0.532 25638 3846 1 7 . 1 1 25 25 LEU N N 25 117.214 117.214 119.507 -2.293 25638 3847 1 7 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.936 -0.225 25638 3848 1 7 . 1 1 25 25 LEU C C 25 179.524 179.524 178.894 0.630 25638 3849 1 7 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.962 -0.011 25638 3850 1 7 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.755 -1.125 25638 3851 1 7 . 1 1 25 25 LEU H H 25 7.698 7.698 8.319 -0.621 25638 3852 1 7 . 1 1 26 26 LYS N N 26 116.336 116.336 119.004 -2.668 25638 3853 1 7 . 1 1 26 26 LYS HA H 26 4.163 4.163 3.991 0.172 25638 3854 1 7 . 1 1 26 26 LYS C C 26 179.308 179.308 178.659 0.649 25638 3855 1 7 . 1 1 26 26 LYS CA C 26 58.414 58.414 58.832 -0.418 25638 3856 1 7 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.154 0.012 25638 3857 1 7 . 1 1 26 26 LYS H H 26 7.675 7.675 7.878 -0.203 25638 3858 1 7 . 1 1 27 27 GLN N N 27 116.118 116.118 117.347 -1.229 25638 3859 1 7 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.176 0.099 25638 3860 1 7 . 1 1 27 27 GLN C C 27 178.679 178.679 178.367 0.312 25638 3861 1 7 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.430 -1.623 25638 3862 1 7 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.330 1.690 25638 3863 1 7 . 1 1 27 27 GLN H H 27 7.520 7.520 8.339 -0.819 25638 3864 1 7 . 1 1 28 28 LEU N N 28 121.335 121.335 117.687 3.648 25638 3865 1 7 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.209 -0.056 25638 3866 1 7 . 1 1 28 28 LEU C C 28 178.168 178.168 178.534 -0.366 25638 3867 1 7 . 1 1 28 28 LEU CA C 28 58.042 58.042 57.581 0.461 25638 3868 1 7 . 1 1 28 28 LEU CB C 28 41.911 41.911 42.247 -0.336 25638 3869 1 7 . 1 1 28 28 LEU H H 28 7.506 7.506 7.542 -0.036 25638 3870 1 7 . 1 1 29 29 ASP N N 29 117.486 117.486 118.500 -1.014 25638 3871 1 7 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.585 0.329 25638 3872 1 7 . 1 1 29 29 ASP C C 29 176.772 176.772 176.964 -0.192 25638 3873 1 7 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.023 -1.897 25638 3874 1 7 . 1 1 29 29 ASP CB C 29 42.715 42.715 41.711 1.004 25638 3875 1 7 . 1 1 29 29 ASP H H 29 8.120 8.120 7.776 0.344 25638 3876 1 7 . 1 1 30 30 ARG N N 30 119.107 119.107 120.228 -1.121 25638 3877 1 7 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.843 -0.082 25638 3878 1 7 . 1 1 30 30 ARG C C 30 173.824 173.824 174.124 -0.300 25638 3879 1 7 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.319 -0.088 25638 3880 1 7 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.925 -0.614 25638 3881 1 7 . 1 1 30 30 ARG H H 30 7.701 7.701 8.503 -0.802 25638 3882 1 7 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.851 -0.585 25638 3883 1 7 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.424 0.521 25638 3884 1 7 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.618 -0.604 25638 3885 1 7 . 1 1 32 32 GLU N N 32 122.391 122.391 119.236 3.155 25638 3886 1 7 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.557 -0.369 25638 3887 1 7 . 1 1 32 32 GLU C C 32 177.401 177.401 175.296 2.105 25638 3888 1 7 . 1 1 32 32 GLU CA C 32 56.389 56.389 55.661 0.728 25638 3889 1 7 . 1 1 32 32 GLU CB C 32 30.188 30.188 31.633 -1.445 25638 3890 1 7 . 1 1 32 32 GLU H H 32 8.454 8.454 8.715 -0.261 25638 3891 1 7 . 1 1 33 33 LYS N N 33 123.127 123.127 117.309 5.818 25638 3892 1 7 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.476 -0.300 25638 3893 1 7 . 1 1 33 33 LYS C C 33 178.482 178.482 175.909 2.573 25638 3894 1 7 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.355 0.772 25638 3895 1 7 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.132 -0.492 25638 3896 1 7 . 1 1 33 33 LYS H H 33 8.338 8.338 8.456 -0.118 25638 3897 1 7 . 1 1 34 34 GLY N N 34 109.507 109.507 109.006 0.501 25638 3898 1 7 . 1 1 34 34 GLY C C 34 175.475 175.475 174.005 1.470 25638 3899 1 7 . 1 1 34 34 GLY CA C 34 45.318 45.318 44.941 0.377 25638 3900 1 7 . 1 1 34 34 GLY H H 34 8.643 8.643 8.087 0.556 25638 3901 1 7 . 1 1 35 35 LEU N N 35 120.392 120.392 119.663 0.729 25638 3902 1 7 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.827 -0.312 25638 3903 1 7 . 1 1 35 35 LEU C C 35 178.797 178.797 177.210 1.587 25638 3904 1 7 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.461 0.988 25638 3905 1 7 . 1 1 35 35 LEU CB C 35 43.116 43.116 43.507 -0.391 25638 3906 1 7 . 1 1 35 35 LEU H H 35 7.480 7.480 7.605 -0.125 25638 3907 1 7 . 1 1 36 36 SER N N 36 118.629 118.629 115.438 3.191 25638 3908 1 7 . 1 1 36 36 SER HA H 36 4.471 4.471 4.501 -0.030 25638 3909 1 7 . 1 1 36 36 SER C C 36 175.632 175.632 175.561 0.071 25638 3910 1 7 . 1 1 36 36 SER CA C 36 57.814 57.814 57.697 0.117 25638 3911 1 7 . 1 1 36 36 SER CB C 36 64.678 64.678 63.867 0.811 25638 3912 1 7 . 1 1 36 36 SER H H 36 8.838 8.838 8.209 0.629 25638 3913 1 7 . 1 1 37 37 GLU N N 37 122.722 122.722 122.317 0.405 25638 3914 1 7 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.073 -0.059 25638 3915 1 7 . 1 1 37 37 GLU C C 37 179.976 179.976 178.722 1.254 25638 3916 1 7 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.812 0.766 25638 3917 1 7 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.707 -0.358 25638 3918 1 7 . 1 1 37 37 GLU H H 37 9.018 9.018 8.997 0.021 25638 3919 1 7 . 1 1 38 38 ARG N N 38 118.418 118.418 118.670 -0.252 25638 3920 1 7 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.308 -0.195 25638 3921 1 7 . 1 1 38 38 ARG C C 38 180.212 180.212 178.549 1.663 25638 3922 1 7 . 1 1 38 38 ARG CA C 38 59.448 59.448 59.142 0.306 25638 3923 1 7 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.252 -0.445 25638 3924 1 7 . 1 1 38 38 ARG H H 38 8.509 8.509 7.919 0.590 25638 3925 1 7 . 1 1 39 39 GLU N N 39 119.730 119.730 119.950 -0.220 25638 3926 1 7 . 1 1 39 39 GLU HA H 39 4.090 4.090 3.973 0.117 25638 3927 1 7 . 1 1 39 39 GLU C C 39 180.529 180.529 179.187 1.342 25638 3928 1 7 . 1 1 39 39 GLU CA C 39 58.893 58.893 60.043 -1.150 25638 3929 1 7 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.945 1.612 25638 3930 1 7 . 1 1 39 39 GLU H H 39 7.761 7.761 8.680 -0.919 25638 3931 1 7 . 1 1 40 40 GLN N N 40 121.665 121.665 118.719 2.946 25638 3932 1 7 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.184 -0.140 25638 3933 1 7 . 1 1 40 40 GLN C C 40 179.760 179.760 178.732 1.028 25638 3934 1 7 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.504 0.866 25638 3935 1 7 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.571 -0.083 25638 3936 1 7 . 1 1 40 40 GLN H H 40 8.871 8.871 7.772 1.099 25638 3937 1 7 . 1 1 41 41 LEU N N 41 121.002 121.002 120.328 0.674 25638 3938 1 7 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.068 0.159 25638 3939 1 7 . 1 1 41 41 LEU C C 41 180.841 180.841 179.548 1.293 25638 3940 1 7 . 1 1 41 41 LEU CA C 41 58.290 58.290 57.968 0.323 25638 3941 1 7 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.252 0.349 25638 3942 1 7 . 1 1 41 41 LEU H H 41 8.140 8.140 8.234 -0.094 25638 3943 1 7 . 1 1 42 42 GLU N N 42 119.818 119.818 118.456 1.362 25638 3944 1 7 . 1 1 42 42 GLU HA H 42 4.234 4.234 4.112 0.122 25638 3945 1 7 . 1 1 42 42 GLU C C 42 179.603 179.603 178.658 0.945 25638 3946 1 7 . 1 1 42 42 GLU CA C 42 58.910 58.910 58.961 -0.051 25638 3947 1 7 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.575 -0.608 25638 3948 1 7 . 1 1 42 42 GLU H H 42 7.894 7.894 8.363 -0.469 25638 3949 1 7 . 1 1 43 43 HIS N N 43 119.964 119.964 119.168 0.796 25638 3950 1 7 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.239 0.182 25638 3951 1 7 . 1 1 43 43 HIS C C 43 179.140 179.140 177.522 1.618 25638 3952 1 7 . 1 1 43 43 HIS CA C 43 59.813 59.813 59.369 0.444 25638 3953 1 7 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.109 -0.665 25638 3954 1 7 . 1 1 43 43 HIS H H 43 8.437 8.437 8.555 -0.118 25638 3955 1 7 . 1 1 44 44 THR N N 44 117.768 117.768 114.905 2.863 25638 3956 1 7 . 1 1 44 44 THR HA H 44 3.884 3.884 3.872 0.012 25638 3957 1 7 . 1 1 44 44 THR C C 44 179.008 179.008 176.344 2.664 25638 3958 1 7 . 1 1 44 44 THR CA C 44 67.603 67.603 68.116 -0.513 25638 3959 1 7 . 1 1 44 44 THR CB C 44 68.981 68.981 68.405 0.576 25638 3960 1 7 . 1 1 44 44 THR H H 44 8.589 8.589 8.477 0.112 25638 3961 1 7 . 1 1 45 45 ARG N N 45 121.750 121.750 121.345 0.405 25638 3962 1 7 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.190 -0.311 25638 3963 1 7 . 1 1 45 45 ARG C C 45 178.817 178.817 178.535 0.282 25638 3964 1 7 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.011 1.847 25638 3965 1 7 . 1 1 45 45 ARG CB C 45 30.716 30.716 28.950 1.766 25638 3966 1 7 . 1 1 45 45 ARG H H 45 8.255 8.255 7.582 0.673 25638 3967 1 7 . 1 1 46 46 GLN N N 46 116.576 116.576 120.350 -3.774 25638 3968 1 7 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.132 -0.108 25638 3969 1 7 . 1 1 46 46 GLN C C 46 181.018 181.018 178.633 2.385 25638 3970 1 7 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.986 0.589 25638 3971 1 7 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.123 -0.369 25638 3972 1 7 . 1 1 46 46 GLN H H 46 8.328 8.328 8.658 -0.330 25638 3973 1 7 . 1 1 47 47 CYS N N 47 118.569 118.569 118.531 0.038 25638 3974 1 7 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.044 0.039 25638 3975 1 7 . 1 1 47 47 CYS C C 47 177.244 177.244 176.921 0.323 25638 3976 1 7 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.961 -0.857 25638 3977 1 7 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.504 -0.441 25638 3978 1 7 . 1 1 47 47 CYS H H 47 8.029 8.029 8.565 -0.536 25638 3979 1 7 . 1 1 48 48 LEU N N 48 119.873 119.873 122.030 -2.157 25638 3980 1 7 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.020 0.049 25638 3981 1 7 . 1 1 48 48 LEU C C 48 179.839 179.839 178.496 1.343 25638 3982 1 7 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.492 -0.180 25638 3983 1 7 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.984 0.241 25638 3984 1 7 . 1 1 48 48 LEU H H 48 8.539 8.539 8.497 0.042 25638 3985 1 7 . 1 1 49 49 ILE N N 49 119.523 119.523 115.524 3.999 25638 3986 1 7 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.048 -0.078 25638 3987 1 7 . 1 1 49 49 ILE C C 49 178.188 178.188 177.853 0.335 25638 3988 1 7 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.330 0.881 25638 3989 1 7 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.434 0.561 25638 3990 1 7 . 1 1 49 49 ILE H H 49 8.516 8.516 8.524 -0.008 25638 3991 1 7 . 1 1 50 50 LYS N N 50 118.622 118.622 120.400 -1.778 25638 3992 1 7 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.192 0.001 25638 3993 1 7 . 1 1 50 50 LYS C C 50 181.391 181.391 179.154 2.237 25638 3994 1 7 . 1 1 50 50 LYS CA C 50 59.547 59.547 58.926 0.621 25638 3995 1 7 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.106 0.484 25638 3996 1 7 . 1 1 50 50 LYS H H 50 7.522 7.522 7.755 -0.233 25638 3997 1 7 . 1 1 51 51 ILE N N 51 119.288 119.288 119.989 -0.701 25638 3998 1 7 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.591 -0.142 25638 3999 1 7 . 1 1 51 51 ILE C C 51 178.384 178.384 177.718 0.666 25638 4000 1 7 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.627 0.140 25638 4001 1 7 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.704 1.276 25638 4002 1 7 . 1 1 51 51 ILE H H 51 8.107 8.107 8.289 -0.182 25638 4003 1 7 . 1 1 52 52 GLY N N 52 108.211 108.211 106.415 1.796 25638 4004 1 7 . 1 1 52 52 GLY C C 52 178.168 178.168 175.427 2.741 25638 4005 1 7 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.634 0.430 25638 4006 1 7 . 1 1 52 52 GLY H H 52 9.224 9.224 8.105 1.119 25638 4007 1 7 . 1 1 53 53 ASP N N 53 124.013 124.013 122.751 1.262 25638 4008 1 7 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.518 0.016 25638 4009 1 7 . 1 1 53 53 ASP C C 53 179.976 179.976 177.852 2.124 25638 4010 1 7 . 1 1 53 53 ASP CA C 53 57.628 57.628 56.664 0.964 25638 4011 1 7 . 1 1 53 53 ASP CB C 53 39.282 39.282 41.039 -1.757 25638 4012 1 7 . 1 1 53 53 ASP H H 53 9.091 9.091 8.553 0.538 25638 4013 1 7 . 1 1 54 54 HIS N N 54 121.598 121.598 118.376 3.222 25638 4014 1 7 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.370 0.036 25638 4015 1 7 . 1 1 54 54 HIS C C 54 178.982 178.982 178.107 0.875 25638 4016 1 7 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.600 0.860 25638 4017 1 7 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.936 1.631 25638 4018 1 7 . 1 1 54 54 HIS H H 54 7.664 7.664 7.927 -0.263 25638 4019 1 7 . 1 1 55 55 ILE N N 55 121.892 121.892 120.411 1.481 25638 4020 1 7 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.707 -0.523 25638 4021 1 7 . 1 1 55 55 ILE C C 55 178.188 178.188 177.386 0.802 25638 4022 1 7 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.212 2.465 25638 4023 1 7 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.367 -0.123 25638 4024 1 7 . 1 1 55 55 ILE H H 55 8.255 8.255 8.445 -0.190 25638 4025 1 7 . 1 1 56 56 THR N N 56 115.458 115.458 117.016 -1.558 25638 4026 1 7 . 1 1 56 56 THR HA H 56 3.759 3.759 3.895 -0.136 25638 4027 1 7 . 1 1 56 56 THR C C 56 180.195 180.195 176.427 3.768 25638 4028 1 7 . 1 1 56 56 THR CA C 56 67.551 67.551 67.467 0.084 25638 4029 1 7 . 1 1 56 56 THR CB C 56 68.756 68.756 68.429 0.327 25638 4030 1 7 . 1 1 56 56 THR H H 56 8.047 8.047 7.852 0.195 25638 4031 1 7 . 1 1 57 57 GLU N N 57 121.544 121.544 120.995 0.549 25638 4032 1 7 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.064 -0.110 25638 4033 1 7 . 1 1 57 57 GLU C C 57 180.979 180.979 178.744 2.235 25638 4034 1 7 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.193 0.186 25638 4035 1 7 . 1 1 57 57 GLU CB C 57 28.740 28.740 28.924 -0.184 25638 4036 1 7 . 1 1 57 57 GLU H H 57 7.591 7.591 8.184 -0.593 25638 4037 1 7 . 1 1 58 58 CYS N N 58 118.970 118.970 118.748 0.222 25638 4038 1 7 . 1 1 58 58 CYS HA H 58 3.940 3.940 3.990 -0.050 25638 4039 1 7 . 1 1 58 58 CYS C C 58 178.089 178.089 177.248 0.841 25638 4040 1 7 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.822 0.400 25638 4041 1 7 . 1 1 58 58 CYS CB C 58 26.562 26.562 26.692 -0.130 25638 4042 1 7 . 1 1 58 58 CYS H H 58 8.206 8.206 7.449 0.757 25638 4043 1 7 . 1 1 59 59 LEU N N 59 116.873 116.873 120.929 -4.056 25638 4044 1 7 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.060 0.191 25638 4045 1 7 . 1 1 59 59 LEU C C 59 179.033 179.033 178.880 0.153 25638 4046 1 7 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.859 -1.820 25638 4047 1 7 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.889 -0.852 25638 4048 1 7 . 1 1 59 59 LEU H H 59 7.726 7.726 8.536 -0.810 25638 4049 1 7 . 1 1 60 60 LYS N N 60 117.911 117.911 116.993 0.918 25638 4050 1 7 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.063 0.068 25638 4051 1 7 . 1 1 60 60 LYS C C 60 177.912 177.912 177.343 0.569 25638 4052 1 7 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.775 -0.238 25638 4053 1 7 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.898 0.492 25638 4054 1 7 . 1 1 60 60 LYS H H 60 7.298 7.298 7.916 -0.618 25638 4055 1 7 . 1 1 61 61 GLU N N 61 115.507 115.507 117.833 -2.326 25638 4056 1 7 . 1 1 61 61 GLU HA H 61 3.889 3.889 4.003 -0.114 25638 4057 1 7 . 1 1 61 61 GLU C C 61 176.576 176.576 176.964 -0.388 25638 4058 1 7 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.796 -0.745 25638 4059 1 7 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.937 -0.203 25638 4060 1 7 . 1 1 61 61 GLU H H 61 7.084 7.084 7.276 -0.192 25638 4061 1 7 . 1 1 62 62 TYR N N 62 118.581 118.581 119.212 -0.631 25638 4062 1 7 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.470 0.236 25638 4063 1 7 . 1 1 62 62 TYR C C 62 175.935 175.935 176.717 -0.782 25638 4064 1 7 . 1 1 62 62 TYR CA C 62 57.147 57.147 58.294 -1.147 25638 4065 1 7 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.465 1.920 25638 4066 1 7 . 1 1 62 62 TYR H H 62 7.387 7.387 7.301 0.086 25638 4067 1 7 . 1 1 63 63 THR N N 63 109.064 109.064 113.710 -4.646 25638 4068 1 7 . 1 1 63 63 THR HA H 63 4.507 4.507 4.220 0.287 25638 4069 1 7 . 1 1 63 63 THR C C 63 175.888 175.888 174.798 1.090 25638 4070 1 7 . 1 1 63 63 THR CA C 63 61.684 61.684 62.510 -0.826 25638 4071 1 7 . 1 1 63 63 THR CB C 63 70.092 70.092 69.526 0.566 25638 4072 1 7 . 1 1 63 63 THR H H 63 8.471 8.471 8.325 0.146 25638 4073 1 7 . 1 1 64 64 ASN N N 64 123.204 123.204 120.898 2.306 25638 4074 1 7 . 1 1 64 64 ASN HA H 64 5.171 5.171 5.033 0.138 25638 4075 1 7 . 1 1 64 64 ASN C C 64 175.495 175.495 175.246 0.249 25638 4076 1 7 . 1 1 64 64 ASN CA C 64 51.137 51.137 50.970 0.167 25638 4077 1 7 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.518 1.162 25638 4078 1 7 . 1 1 64 64 ASN H H 64 7.993 7.993 8.078 -0.085 25638 4079 1 7 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.317 -0.047 25638 4080 1 7 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.498 0.194 25638 4081 1 7 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.156 0.243 25638 4082 1 7 . 1 1 66 66 GLU N N 66 118.060 118.060 119.318 -1.258 25638 4083 1 7 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.104 0.028 25638 4084 1 7 . 1 1 66 66 GLU C C 66 180.409 180.409 179.069 1.340 25638 4085 1 7 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.847 -0.473 25638 4086 1 7 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.995 -0.192 25638 4087 1 7 . 1 1 66 66 GLU H H 66 8.297 8.297 8.809 -0.512 25638 4088 1 7 . 1 1 67 67 GLN N N 67 120.531 120.531 118.815 1.716 25638 4089 1 7 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.986 0.181 25638 4090 1 7 . 1 1 67 67 GLN C C 67 179.072 179.072 178.574 0.498 25638 4091 1 7 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.013 -0.185 25638 4092 1 7 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.414 0.829 25638 4093 1 7 . 1 1 67 67 GLN H H 67 7.738 7.738 8.162 -0.424 25638 4094 1 7 . 1 1 68 68 ILE N N 68 119.632 119.632 117.929 1.703 25638 4095 1 7 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.927 -0.379 25638 4096 1 7 . 1 1 68 68 ILE C C 68 178.109 178.109 177.718 0.391 25638 4097 1 7 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.282 1.315 25638 4098 1 7 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.589 1.350 25638 4099 1 7 . 1 1 68 68 ILE H H 68 7.956 7.956 8.303 -0.347 25638 4100 1 7 . 1 1 69 69 LYS N N 69 117.236 117.236 119.725 -2.489 25638 4101 1 7 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.012 -0.083 25638 4102 1 7 . 1 1 69 69 LYS C C 69 180.271 180.271 178.975 1.296 25638 4103 1 7 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.220 0.701 25638 4104 1 7 . 1 1 69 69 LYS CB C 69 32.607 32.607 31.826 0.781 25638 4105 1 7 . 1 1 69 69 LYS H H 69 7.665 7.665 8.005 -0.340 25638 4106 1 7 . 1 1 70 70 GLN N N 70 118.748 118.748 120.655 -1.907 25638 4107 1 7 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.012 -0.157 25638 4108 1 7 . 1 1 70 70 GLN C C 70 179.131 179.131 177.957 1.174 25638 4109 1 7 . 1 1 70 70 GLN CA C 70 58.252 58.252 59.005 -0.753 25638 4110 1 7 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.694 -0.017 25638 4111 1 7 . 1 1 70 70 GLN H H 70 7.787 7.787 8.035 -0.248 25638 4112 1 7 . 1 1 71 71 TRP N N 71 118.896 118.896 120.410 -1.514 25638 4113 1 7 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.279 -0.236 25638 4114 1 7 . 1 1 71 71 TRP C C 71 178.679 178.679 178.694 -0.015 25638 4115 1 7 . 1 1 71 71 TRP CA C 71 61.949 61.949 59.873 2.076 25638 4116 1 7 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.395 -1.151 25638 4117 1 7 . 1 1 71 71 TRP H H 71 8.374 8.374 8.464 -0.090 25638 4118 1 7 . 1 1 72 72 ARG N N 72 122.698 122.698 119.030 3.668 25638 4119 1 7 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.964 -0.145 25638 4120 1 7 . 1 1 72 72 ARG C C 72 178.561 178.561 178.557 0.004 25638 4121 1 7 . 1 1 72 72 ARG CA C 72 61.032 61.032 60.026 1.006 25638 4122 1 7 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.172 0.097 25638 4123 1 7 . 1 1 72 72 ARG H H 72 8.808 8.808 8.716 0.092 25638 4124 1 7 . 1 1 73 73 LYS N N 73 116.946 116.946 118.492 -1.546 25638 4125 1 7 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.346 -0.166 25638 4126 1 7 . 1 1 73 73 LYS C C 73 179.622 179.622 178.904 0.718 25638 4127 1 7 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.228 0.307 25638 4128 1 7 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.301 -0.586 25638 4129 1 7 . 1 1 73 73 LYS H H 73 7.380 7.380 7.781 -0.401 25638 4130 1 7 . 1 1 74 74 ASN N N 74 116.434 116.434 119.875 -3.441 25638 4131 1 7 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.546 -0.269 25638 4132 1 7 . 1 1 74 74 ASN C C 74 178.148 178.148 178.153 -0.005 25638 4133 1 7 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.393 -0.530 25638 4134 1 7 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.428 -0.394 25638 4135 1 7 . 1 1 74 74 ASN H H 74 8.309 8.309 8.449 -0.140 25638 4136 1 7 . 1 1 75 75 LEU N N 75 118.967 118.967 121.198 -2.231 25638 4137 1 7 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.172 -0.047 25638 4138 1 7 . 1 1 75 75 LEU C C 75 180.251 180.251 178.766 1.485 25638 4139 1 7 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.472 0.355 25638 4140 1 7 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.753 -0.769 25638 4141 1 7 . 1 1 75 75 LEU H H 75 8.635 8.635 8.536 0.099 25638 4142 1 7 . 1 1 76 76 TRP N N 76 118.544 118.544 119.437 -0.893 25638 4143 1 7 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.297 0.282 25638 4144 1 7 . 1 1 76 76 TRP C C 76 180.900 180.900 179.373 1.527 25638 4145 1 7 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.555 0.861 25638 4146 1 7 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.433 -0.335 25638 4147 1 7 . 1 1 76 76 TRP H H 76 8.006 8.006 7.418 0.588 25638 4148 1 7 . 1 1 77 77 ILE N N 77 121.982 121.982 120.050 1.932 25638 4149 1 7 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.780 0.051 25638 4150 1 7 . 1 1 77 77 ILE C C 77 181.254 181.254 178.143 3.111 25638 4151 1 7 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.264 0.777 25638 4152 1 7 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.124 -0.775 25638 4153 1 7 . 1 1 77 77 ILE H H 77 8.893 8.893 8.741 0.152 25638 4154 1 7 . 1 1 78 78 PHE N N 78 123.458 123.458 121.411 2.047 25638 4155 1 7 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.326 -0.282 25638 4156 1 7 . 1 1 78 78 PHE C C 78 177.618 177.618 178.201 -0.583 25638 4157 1 7 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.487 1.593 25638 4158 1 7 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.094 -0.384 25638 4159 1 7 . 1 1 78 78 PHE H H 78 8.753 8.753 8.234 0.519 25638 4160 1 7 . 1 1 79 79 VAL N N 79 117.726 117.726 119.847 -2.121 25638 4161 1 7 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.535 -0.056 25638 4162 1 7 . 1 1 79 79 VAL C C 79 178.876 178.876 178.182 0.694 25638 4163 1 7 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.629 0.184 25638 4164 1 7 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.456 0.116 25638 4165 1 7 . 1 1 79 79 VAL H H 79 8.232 8.232 8.578 -0.346 25638 4166 1 7 . 1 1 80 80 SER N N 80 114.568 114.568 115.904 -1.336 25638 4167 1 7 . 1 1 80 80 SER HA H 80 4.339 4.339 4.430 -0.091 25638 4168 1 7 . 1 1 80 80 SER C C 80 176.261 176.261 176.487 -0.226 25638 4169 1 7 . 1 1 80 80 SER CA C 80 61.337 61.337 61.718 -0.381 25638 4170 1 7 . 1 1 80 80 SER CB C 80 62.712 62.712 62.897 -0.185 25638 4171 1 7 . 1 1 80 80 SER H H 80 8.353 8.353 8.515 -0.162 25638 4172 1 7 . 1 1 81 81 LYS N N 81 121.180 121.180 121.725 -0.545 25638 4173 1 7 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.041 0.157 25638 4174 1 7 . 1 1 81 81 LYS C C 81 178.305 178.305 178.257 0.048 25638 4175 1 7 . 1 1 81 81 LYS CA C 81 57.104 57.104 57.964 -0.860 25638 4176 1 7 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.139 -1.480 25638 4177 1 7 . 1 1 81 81 LYS H H 81 7.481 7.481 7.465 0.016 25638 4178 1 7 . 1 1 82 82 PHE N N 82 117.950 117.950 118.337 -0.387 25638 4179 1 7 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.455 -0.058 25638 4180 1 7 . 1 1 82 82 PHE C C 82 174.787 174.787 174.845 -0.058 25638 4181 1 7 . 1 1 82 82 PHE CA C 82 58.398 58.398 58.359 0.039 25638 4182 1 7 . 1 1 82 82 PHE CB C 82 38.937 38.937 37.969 0.968 25638 4183 1 7 . 1 1 82 82 PHE H H 82 8.256 8.256 7.732 0.524 25638 4184 1 7 . 1 1 83 83 THR N N 83 109.995 109.995 111.207 -1.212 25638 4185 1 7 . 1 1 83 83 THR HA H 83 4.988 4.988 4.386 0.602 25638 4186 1 7 . 1 1 83 83 THR C C 83 174.138 174.138 173.700 0.438 25638 4187 1 7 . 1 1 83 83 THR CA C 83 59.609 59.609 60.096 -0.487 25638 4188 1 7 . 1 1 83 83 THR CB C 83 71.080 71.080 70.500 0.580 25638 4189 1 7 . 1 1 83 83 THR H H 83 7.665 7.665 7.206 0.459 25638 4190 1 7 . 1 1 84 84 GLU N N 84 119.416 119.416 120.488 -1.072 25638 4191 1 7 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.139 0.256 25638 4192 1 7 . 1 1 84 84 GLU C C 84 177.912 177.912 176.468 1.444 25638 4193 1 7 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.663 -1.167 25638 4194 1 7 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.417 0.105 25638 4195 1 7 . 1 1 84 84 GLU H H 84 8.409 8.409 8.498 -0.089 25638 4196 1 7 . 1 1 85 85 PHE N N 85 120.265 120.265 119.467 0.798 25638 4197 1 7 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.704 0.187 25638 4198 1 7 . 1 1 85 85 PHE C C 85 175.809 175.809 174.951 0.858 25638 4199 1 7 . 1 1 85 85 PHE CA C 85 56.109 56.109 55.229 0.880 25638 4200 1 7 . 1 1 85 85 PHE CB C 85 41.188 41.188 38.723 2.465 25638 4201 1 7 . 1 1 85 85 PHE H H 85 8.210 8.210 7.475 0.735 25638 4202 1 7 . 1 1 86 86 ASP N N 86 118.128 118.128 124.488 -6.360 25638 4203 1 7 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.473 0.263 25638 4204 1 7 . 1 1 86 86 ASP C C 86 176.986 176.986 177.066 -0.080 25638 4205 1 7 . 1 1 86 86 ASP CA C 86 53.183 53.183 54.667 -1.484 25638 4206 1 7 . 1 1 86 86 ASP CB C 86 42.533 42.533 43.067 -0.534 25638 4207 1 7 . 1 1 86 86 ASP H H 86 8.119 8.119 8.380 -0.261 25638 4208 1 7 . 1 1 87 87 ALA N N 87 121.912 121.912 127.511 -5.599 25638 4209 1 7 . 1 1 87 87 ALA HA H 87 3.989 3.989 3.939 0.050 25638 4210 1 7 . 1 1 87 87 ALA C C 87 180.378 180.378 179.191 1.187 25638 4211 1 7 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.312 0.763 25638 4212 1 7 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.795 1.412 25638 4213 1 7 . 1 1 87 87 ALA H H 87 8.757 8.757 8.530 0.227 25638 4214 1 7 . 1 1 88 88 ARG N N 88 117.072 117.072 118.768 -1.696 25638 4215 1 7 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.906 0.050 25638 4216 1 7 . 1 1 88 88 ARG C C 88 179.975 179.975 178.255 1.720 25638 4217 1 7 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.529 -0.277 25638 4218 1 7 . 1 1 88 88 ARG CB C 88 29.613 29.613 30.083 -0.470 25638 4219 1 7 . 1 1 88 88 ARG H H 88 8.147 8.147 8.663 -0.516 25638 4220 1 7 . 1 1 89 89 LYS N N 89 121.809 121.809 118.859 2.950 25638 4221 1 7 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.029 -0.120 25638 4222 1 7 . 1 1 89 89 LYS C C 89 179.505 179.505 178.779 0.726 25638 4223 1 7 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.784 0.202 25638 4224 1 7 . 1 1 89 89 LYS CB C 89 32.334 32.334 31.748 0.586 25638 4225 1 7 . 1 1 89 89 LYS H H 89 8.022 8.022 7.679 0.343 25638 4226 1 7 . 1 1 90 90 LEU N N 90 118.429 118.429 120.992 -2.563 25638 4227 1 7 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.787 -0.043 25638 4228 1 7 . 1 1 90 90 LEU C C 90 178.069 178.069 177.795 0.274 25638 4229 1 7 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.081 -0.039 25638 4230 1 7 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.856 0.606 25638 4231 1 7 . 1 1 90 90 LEU H H 90 8.139 8.139 8.559 -0.420 25638 4232 1 7 . 1 1 91 91 HIS N N 91 117.214 117.214 117.396 -0.182 25638 4233 1 7 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.433 0.546 25638 4234 1 7 . 1 1 91 91 HIS C C 91 178.069 178.069 177.225 0.844 25638 4235 1 7 . 1 1 91 91 HIS CA C 91 58.178 58.178 59.684 -1.506 25638 4236 1 7 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.113 0.315 25638 4237 1 7 . 1 1 91 91 HIS H H 91 7.379 7.379 7.260 0.119 25638 4238 1 7 . 1 1 92 92 LYS N N 92 118.466 118.466 119.197 -0.731 25638 4239 1 7 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.747 -0.112 25638 4240 1 7 . 1 1 92 92 LYS C C 92 180.310 180.310 178.781 1.529 25638 4241 1 7 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.541 0.383 25638 4242 1 7 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.337 0.028 25638 4243 1 7 . 1 1 92 92 LYS H H 92 7.599 7.599 7.330 0.269 25638 4244 1 7 . 1 1 93 93 LEU N N 93 120.752 120.752 120.571 0.181 25638 4245 1 7 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.872 0.111 25638 4246 1 7 . 1 1 93 93 LEU C C 93 181.269 181.269 178.291 2.978 25638 4247 1 7 . 1 1 93 93 LEU CA C 93 58.000 58.000 57.834 0.166 25638 4248 1 7 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.762 0.577 25638 4249 1 7 . 1 1 93 93 LEU H H 93 8.351 8.351 8.163 0.188 25638 4250 1 7 . 1 1 94 94 TYR N N 94 122.311 122.311 119.996 2.315 25638 4251 1 7 . 1 1 94 94 TYR HA H 94 4.136 4.136 3.987 0.149 25638 4252 1 7 . 1 1 94 94 TYR C C 94 176.789 176.789 177.291 -0.502 25638 4253 1 7 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.708 -0.408 25638 4254 1 7 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.251 0.327 25638 4255 1 7 . 1 1 94 94 TYR H H 94 8.290 8.290 8.760 -0.470 25638 4256 1 7 . 1 1 95 95 LYS N N 95 117.851 117.851 118.834 -0.983 25638 4257 1 7 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.501 -0.075 25638 4258 1 7 . 1 1 95 95 LYS C C 95 180.684 180.684 178.928 1.756 25638 4259 1 7 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.752 -0.373 25638 4260 1 7 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.182 -0.934 25638 4261 1 7 . 1 1 95 95 LYS H H 95 8.180 8.180 7.791 0.389 25638 4262 1 7 . 1 1 96 96 HIS N N 96 117.611 117.611 117.928 -0.317 25638 4263 1 7 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.205 0.008 25638 4264 1 7 . 1 1 96 96 HIS C C 96 178.266 178.266 177.409 0.857 25638 4265 1 7 . 1 1 96 96 HIS CA C 96 59.274 59.274 58.216 1.058 25638 4266 1 7 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.185 1.018 25638 4267 1 7 . 1 1 96 96 HIS H H 96 8.049 8.049 7.970 0.079 25638 4268 1 7 . 1 1 97 97 ALA N N 97 122.617 122.617 122.090 0.527 25638 4269 1 7 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.026 0.065 25638 4270 1 7 . 1 1 97 97 ALA C C 97 181.352 181.352 180.121 1.231 25638 4271 1 7 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.126 -0.481 25638 4272 1 7 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.154 -0.385 25638 4273 1 7 . 1 1 97 97 ALA H H 97 8.104 8.104 8.247 -0.143 25638 4274 1 7 . 1 1 98 98 ILE N N 98 111.626 111.626 118.721 -7.095 25638 4275 1 7 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.650 0.459 25638 4276 1 7 . 1 1 98 98 ILE C C 98 178.561 178.561 177.827 0.734 25638 4277 1 7 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.058 -1.328 25638 4278 1 7 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.970 -0.324 25638 4279 1 7 . 1 1 98 98 ILE H H 98 7.636 7.636 8.105 -0.469 25638 4280 1 7 . 1 1 99 99 LYS N N 99 124.158 124.158 119.885 4.273 25638 4281 1 7 . 1 1 99 99 LYS HA H 99 4.045 4.045 4.016 0.029 25638 4282 1 7 . 1 1 99 99 LYS C C 99 179.111 179.111 179.276 -0.165 25638 4283 1 7 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.629 -0.559 25638 4284 1 7 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.133 0.039 25638 4285 1 7 . 1 1 99 99 LYS H H 99 7.359 7.359 8.109 -0.750 25638 4286 1 7 . 1 1 100 100 LYS N N 100 118.333 118.333 119.795 -1.462 25638 4287 1 7 . 1 1 100 100 LYS HA H 100 4.143 4.143 3.978 0.165 25638 4288 1 7 . 1 1 100 100 LYS C C 100 179.111 179.111 178.449 0.662 25638 4289 1 7 . 1 1 100 100 LYS CA C 100 57.212 57.212 59.166 -1.954 25638 4290 1 7 . 1 1 100 100 LYS CB C 100 31.742 31.742 31.983 -0.241 25638 4291 1 7 . 1 1 100 100 LYS H H 100 7.937 7.937 8.214 -0.277 25638 4292 1 7 . 1 1 101 101 ARG N N 101 121.125 121.125 118.580 2.545 25638 4293 1 7 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.285 -0.156 25638 4294 1 7 . 1 1 101 101 ARG C C 101 178.541 178.541 176.326 2.215 25638 4295 1 7 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.651 1.515 25638 4296 1 7 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.603 -0.012 25638 4297 1 7 . 1 1 101 101 ARG H H 101 7.895 7.895 7.907 -0.012 25638 4298 1 7 . 1 1 102 102 GLN N N 102 119.756 119.756 118.377 1.379 25638 4299 1 7 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.375 -0.168 25638 4300 1 7 . 1 1 102 102 GLN C C 102 178.129 178.129 174.919 3.210 25638 4301 1 7 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.662 1.250 25638 4302 1 7 . 1 1 102 102 GLN CB C 102 28.921 28.921 30.054 -1.133 25638 4303 1 7 . 1 1 102 102 GLN H H 102 8.167 8.167 7.601 0.566 25638 4304 1 7 . 1 1 103 103 GLU N N 103 120.553 120.553 119.108 1.445 25638 4305 1 7 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.530 -0.330 25638 4306 1 7 . 1 1 103 103 GLU C C 103 178.286 178.286 175.606 2.680 25638 4307 1 7 . 1 1 103 103 GLU CA C 103 57.505 57.505 56.029 1.476 25638 4308 1 7 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.235 0.689 25638 4309 1 7 . 1 1 103 103 GLU H H 103 8.189 8.189 8.586 -0.397 25638 4310 1 7 . 1 1 104 104 SER N N 104 115.381 115.381 117.678 -2.297 25638 4311 1 7 . 1 1 104 104 SER HA H 104 4.431 4.431 4.155 0.276 25638 4312 1 7 . 1 1 104 104 SER C C 104 175.750 175.750 174.608 1.142 25638 4313 1 7 . 1 1 104 104 SER CA C 104 59.154 59.154 58.352 0.802 25638 4314 1 7 . 1 1 104 104 SER CB C 104 63.456 63.456 63.653 -0.196 25638 4315 1 7 . 1 1 104 104 SER H H 104 8.099 8.099 8.440 -0.341 25638 4316 1 7 . 1 1 105 105 GLN N N 105 121.635 121.635 123.963 -2.328 25638 4317 1 7 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.168 0.167 25638 4318 1 7 . 1 1 105 105 GLN C C 105 177.008 177.008 175.510 1.498 25638 4319 1 7 . 1 1 105 105 GLN CA C 105 56.053 56.053 56.801 -0.748 25638 4320 1 7 . 1 1 105 105 GLN CB C 105 29.128 29.128 28.722 0.406 25638 4321 1 7 . 1 1 105 105 GLN H H 105 8.170 8.170 8.637 -0.467 25638 4322 1 7 . 1 1 106 106 GLN N N 106 120.850 120.850 126.324 -5.474 25638 4323 1 7 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.212 0.119 25638 4324 1 7 . 1 1 106 106 GLN C C 106 176.713 176.713 176.648 0.065 25638 4325 1 7 . 1 1 106 106 GLN CA C 106 55.951 55.951 57.657 -1.706 25638 4326 1 7 . 1 1 106 106 GLN CB C 106 29.254 29.254 29.072 0.182 25638 4327 1 7 . 1 1 106 106 GLN H H 106 8.281 8.281 8.635 -0.354 25638 4328 1 7 . 1 1 107 107 ASN N N 107 120.271 120.271 115.589 4.682 25638 4329 1 7 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.746 0.044 25638 4330 1 7 . 1 1 107 107 ASN C C 107 175.337 175.337 175.004 0.333 25638 4331 1 7 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.271 0.082 25638 4332 1 7 . 1 1 107 107 ASN CB C 107 39.094 39.094 38.731 0.363 25638 4333 1 7 . 1 1 107 107 ASN H H 107 8.434 8.434 8.570 -0.136 25638 4334 1 8 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.692 -0.247 25638 4335 1 8 . 1 1 2 2 PRO C C 2 178.089 178.089 176.203 1.886 25638 4336 1 8 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.551 0.755 25638 4337 1 8 . 1 1 2 2 PRO CB C 2 32.468 32.468 33.858 -1.391 25638 4338 1 8 . 1 1 3 3 LEU N N 3 122.239 122.239 119.493 2.746 25638 4339 1 8 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.605 -0.308 25638 4340 1 8 . 1 1 3 3 LEU C C 3 178.876 178.876 177.133 1.743 25638 4341 1 8 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.682 0.847 25638 4342 1 8 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.867 -0.717 25638 4343 1 8 . 1 1 3 3 LEU H H 3 8.522 8.522 8.429 0.093 25638 4344 1 8 . 1 1 4 4 GLY N N 4 109.572 109.572 106.804 2.768 25638 4345 1 8 . 1 1 4 4 GLY C C 4 174.630 174.630 173.677 0.953 25638 4346 1 8 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.840 0.493 25638 4347 1 8 . 1 1 4 4 GLY H H 4 8.349 8.349 7.803 0.546 25638 4348 1 8 . 1 1 5 5 SER N N 5 115.481 115.481 115.707 -0.226 25638 4349 1 8 . 1 1 5 5 SER HA H 5 4.513 4.513 4.260 0.253 25638 4350 1 8 . 1 1 5 5 SER C C 5 174.667 174.667 173.157 1.510 25638 4351 1 8 . 1 1 5 5 SER CA C 5 57.801 57.801 58.033 -0.232 25638 4352 1 8 . 1 1 5 5 SER CB C 5 64.536 64.536 63.354 1.182 25638 4353 1 8 . 1 1 5 5 SER H H 5 8.119 8.119 8.187 -0.068 25638 4354 1 8 . 1 1 6 6 LEU N N 6 121.895 121.895 124.596 -2.701 25638 4355 1 8 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.345 0.309 25638 4356 1 8 . 1 1 6 6 LEU C C 6 177.932 177.932 176.324 1.608 25638 4357 1 8 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.069 -0.146 25638 4358 1 8 . 1 1 6 6 LEU CB C 6 44.606 44.606 41.473 3.133 25638 4359 1 8 . 1 1 6 6 LEU H H 6 8.319 8.319 8.418 -0.099 25638 4360 1 8 . 1 1 7 7 ASP N N 7 121.978 121.978 124.598 -2.620 25638 4361 1 8 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.587 0.019 25638 4362 1 8 . 1 1 7 7 ASP C C 7 176.477 176.477 177.246 -0.769 25638 4363 1 8 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.041 -0.823 25638 4364 1 8 . 1 1 7 7 ASP CB C 7 40.958 40.958 43.224 -2.266 25638 4365 1 8 . 1 1 7 7 ASP H H 7 8.318 8.318 8.173 0.145 25638 4366 1 8 . 1 1 8 8 GLN N N 8 119.885 119.885 119.949 -0.064 25638 4367 1 8 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.085 0.001 25638 4368 1 8 . 1 1 8 8 GLN C C 8 179.710 179.710 178.462 1.248 25638 4369 1 8 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.810 0.015 25638 4370 1 8 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.588 -0.104 25638 4371 1 8 . 1 1 8 8 GLN H H 8 8.746 8.746 8.879 -0.133 25638 4372 1 8 . 1 1 9 9 LYS N N 9 120.863 120.863 119.401 1.462 25638 4373 1 8 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.025 0.172 25638 4374 1 8 . 1 1 9 9 LYS C C 9 180.333 180.333 178.863 1.470 25638 4375 1 8 . 1 1 9 9 LYS CA C 9 59.374 59.374 60.043 -0.669 25638 4376 1 8 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.816 0.141 25638 4377 1 8 . 1 1 9 9 LYS H H 9 8.454 8.454 8.565 -0.111 25638 4378 1 8 . 1 1 10 10 THR N N 10 118.654 118.654 116.675 1.979 25638 4379 1 8 . 1 1 10 10 THR HA H 10 3.985 3.985 4.234 -0.249 25638 4380 1 8 . 1 1 10 10 THR C C 10 177.904 177.904 177.107 0.797 25638 4381 1 8 . 1 1 10 10 THR CA C 10 67.618 67.618 65.954 1.664 25638 4382 1 8 . 1 1 10 10 THR CB C 10 67.523 67.523 68.673 -1.150 25638 4383 1 8 . 1 1 10 10 THR H H 10 8.531 8.531 7.899 0.632 25638 4384 1 8 . 1 1 11 11 PHE N N 11 123.876 123.876 121.958 1.918 25638 4385 1 8 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.515 -0.521 25638 4386 1 8 . 1 1 11 11 PHE C C 11 177.676 177.676 177.439 0.237 25638 4387 1 8 . 1 1 11 11 PHE CA C 11 63.219 63.219 60.694 2.525 25638 4388 1 8 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.125 0.221 25638 4389 1 8 . 1 1 11 11 PHE H H 11 9.296 9.296 8.904 0.392 25638 4390 1 8 . 1 1 12 12 SER N N 12 114.219 114.219 116.283 -2.064 25638 4391 1 8 . 1 1 12 12 SER HA H 12 4.151 4.151 4.066 0.085 25638 4392 1 8 . 1 1 12 12 SER C C 12 177.922 177.922 176.412 1.510 25638 4393 1 8 . 1 1 12 12 SER CA C 12 62.899 62.899 62.342 0.557 25638 4394 1 8 . 1 1 12 12 SER CB C 12 63.194 63.194 63.078 0.116 25638 4395 1 8 . 1 1 12 12 SER H H 12 8.306 8.306 7.554 0.752 25638 4396 1 8 . 1 1 13 13 ILE N N 13 123.613 123.613 123.114 0.499 25638 4397 1 8 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.630 0.207 25638 4398 1 8 . 1 1 13 13 ILE C C 13 179.563 179.563 177.537 2.026 25638 4399 1 8 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.529 -0.429 25638 4400 1 8 . 1 1 13 13 ILE CB C 13 38.310 38.310 37.975 0.335 25638 4401 1 8 . 1 1 13 13 ILE H H 13 7.897 7.897 8.391 -0.494 25638 4402 1 8 . 1 1 14 14 CYS N N 14 118.125 118.125 116.891 1.234 25638 4403 1 8 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.671 -0.120 25638 4404 1 8 . 1 1 14 14 CYS C C 14 176.010 176.010 176.068 -0.058 25638 4405 1 8 . 1 1 14 14 CYS CA C 14 64.572 64.572 62.487 2.085 25638 4406 1 8 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.800 0.921 25638 4407 1 8 . 1 1 14 14 CYS H H 14 8.329 8.329 8.256 0.073 25638 4408 1 8 . 1 1 15 15 LYS N N 15 118.532 118.532 119.391 -0.859 25638 4409 1 8 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.738 -0.589 25638 4410 1 8 . 1 1 15 15 LYS C C 15 179.846 179.846 177.683 2.163 25638 4411 1 8 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.359 0.373 25638 4412 1 8 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.018 0.074 25638 4413 1 8 . 1 1 15 15 LYS H H 15 8.025 8.025 7.317 0.708 25638 4414 1 8 . 1 1 16 16 GLU N N 16 118.138 118.138 117.755 0.383 25638 4415 1 8 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.006 0.021 25638 4416 1 8 . 1 1 16 16 GLU C C 16 180.959 180.959 178.773 2.186 25638 4417 1 8 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.545 0.597 25638 4418 1 8 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.671 -0.558 25638 4419 1 8 . 1 1 16 16 GLU H H 16 7.403 7.403 7.522 -0.119 25638 4420 1 8 . 1 1 17 17 ARG N N 17 117.969 117.969 117.722 0.247 25638 4421 1 8 . 1 1 17 17 ARG HA H 17 4.063 4.063 3.950 0.113 25638 4422 1 8 . 1 1 17 17 ARG C C 17 179.544 179.544 178.423 1.121 25638 4423 1 8 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.846 0.309 25638 4424 1 8 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.280 -0.313 25638 4425 1 8 . 1 1 17 17 ARG H H 17 8.325 8.325 7.984 0.341 25638 4426 1 8 . 1 1 18 18 MET N N 18 113.332 113.332 117.758 -4.426 25638 4427 1 8 . 1 1 18 18 MET HA H 18 4.561 4.561 4.503 0.058 25638 4428 1 8 . 1 1 18 18 MET C C 18 176.890 176.890 175.336 1.554 25638 4429 1 8 . 1 1 18 18 MET CA C 18 53.377 53.377 53.685 -0.308 25638 4430 1 8 . 1 1 18 18 MET CB C 18 29.724 29.724 29.533 0.191 25638 4431 1 8 . 1 1 18 18 MET H H 18 7.718 7.718 8.124 -0.406 25638 4432 1 8 . 1 1 19 19 ARG N N 19 123.288 123.288 121.655 1.633 25638 4433 1 8 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.486 -0.335 25638 4434 1 8 . 1 1 19 19 ARG C C 19 176.556 176.556 176.247 0.309 25638 4435 1 8 . 1 1 19 19 ARG CA C 19 61.133 61.133 60.382 0.751 25638 4436 1 8 . 1 1 19 19 ARG CB C 19 28.258 28.258 29.019 -0.761 25638 4437 1 8 . 1 1 19 19 ARG H H 19 7.152 7.152 7.859 -0.707 25638 4438 1 8 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.208 0.135 25638 4439 1 8 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.149 0.848 25638 4440 1 8 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.076 0.764 25638 4441 1 8 . 1 1 21 21 VAL N N 21 105.802 105.802 110.815 -5.013 25638 4442 1 8 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.254 0.567 25638 4443 1 8 . 1 1 21 21 VAL C C 21 176.261 176.261 176.805 -0.544 25638 4444 1 8 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.785 -1.682 25638 4445 1 8 . 1 1 21 21 VAL CB C 21 30.856 30.856 31.408 -0.552 25638 4446 1 8 . 1 1 21 21 VAL H H 21 7.352 7.352 7.357 -0.005 25638 4447 1 8 . 1 1 22 22 LYS N N 22 122.802 122.802 122.122 0.680 25638 4448 1 8 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.785 -0.021 25638 4449 1 8 . 1 1 22 22 LYS C C 22 178.758 178.758 178.333 0.425 25638 4450 1 8 . 1 1 22 22 LYS CA C 22 60.332 60.332 59.942 0.390 25638 4451 1 8 . 1 1 22 22 LYS CB C 22 32.214 32.214 31.974 0.241 25638 4452 1 8 . 1 1 22 22 LYS H H 22 7.640 7.640 7.814 -0.174 25638 4453 1 8 . 1 1 23 23 ALA N N 23 120.067 120.067 120.919 -0.852 25638 4454 1 8 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.006 0.069 25638 4455 1 8 . 1 1 23 23 ALA C C 23 180.998 180.998 179.339 1.659 25638 4456 1 8 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.161 -0.002 25638 4457 1 8 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.892 0.022 25638 4458 1 8 . 1 1 23 23 ALA H H 23 8.571 8.571 8.457 0.114 25638 4459 1 8 . 1 1 24 24 ALA N N 24 121.068 121.068 120.469 0.599 25638 4460 1 8 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.106 0.056 25638 4461 1 8 . 1 1 24 24 ALA C C 24 180.271 180.271 179.309 0.962 25638 4462 1 8 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.535 0.221 25638 4463 1 8 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.509 -0.316 25638 4464 1 8 . 1 1 24 24 ALA H H 24 7.320 7.320 7.993 -0.673 25638 4465 1 8 . 1 1 25 25 LEU N N 25 117.214 117.214 118.009 -0.795 25638 4466 1 8 . 1 1 25 25 LEU HA H 25 3.711 3.711 4.177 -0.466 25638 4467 1 8 . 1 1 25 25 LEU C C 25 179.524 179.524 179.286 0.238 25638 4468 1 8 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.758 0.193 25638 4469 1 8 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.624 -0.994 25638 4470 1 8 . 1 1 25 25 LEU H H 25 7.698 7.698 8.118 -0.420 25638 4471 1 8 . 1 1 26 26 LYS N N 26 116.336 116.336 120.065 -3.729 25638 4472 1 8 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.096 0.067 25638 4473 1 8 . 1 1 26 26 LYS C C 26 179.308 179.308 179.323 -0.015 25638 4474 1 8 . 1 1 26 26 LYS CA C 26 58.414 58.414 58.665 -0.251 25638 4475 1 8 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.118 0.048 25638 4476 1 8 . 1 1 26 26 LYS H H 26 7.675 7.675 8.380 -0.705 25638 4477 1 8 . 1 1 27 27 GLN N N 27 116.118 116.118 116.598 -0.480 25638 4478 1 8 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.158 0.117 25638 4479 1 8 . 1 1 27 27 GLN C C 27 178.679 178.679 176.324 2.355 25638 4480 1 8 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.127 -1.320 25638 4481 1 8 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.908 1.112 25638 4482 1 8 . 1 1 27 27 GLN H H 27 7.520 7.520 8.230 -0.710 25638 4483 1 8 . 1 1 28 28 LEU N N 28 121.335 121.335 117.184 4.151 25638 4484 1 8 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.584 -0.431 25638 4485 1 8 . 1 1 28 28 LEU C C 28 178.168 178.168 177.537 0.631 25638 4486 1 8 . 1 1 28 28 LEU CA C 28 58.042 58.042 54.649 3.393 25638 4487 1 8 . 1 1 28 28 LEU CB C 28 41.911 41.911 42.758 -0.847 25638 4488 1 8 . 1 1 28 28 LEU H H 28 7.506 7.506 7.443 0.063 25638 4489 1 8 . 1 1 29 29 ASP N N 29 117.486 117.486 121.634 -4.148 25638 4490 1 8 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.777 0.137 25638 4491 1 8 . 1 1 29 29 ASP C C 29 176.772 176.772 176.753 0.019 25638 4492 1 8 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.155 -2.029 25638 4493 1 8 . 1 1 29 29 ASP CB C 29 42.715 42.715 42.399 0.316 25638 4494 1 8 . 1 1 29 29 ASP H H 29 8.120 8.120 8.231 -0.111 25638 4495 1 8 . 1 1 30 30 ARG N N 30 119.107 119.107 120.272 -1.165 25638 4496 1 8 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.766 -0.005 25638 4497 1 8 . 1 1 30 30 ARG C C 30 173.824 173.824 173.893 -0.069 25638 4498 1 8 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.102 0.129 25638 4499 1 8 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.333 -0.022 25638 4500 1 8 . 1 1 30 30 ARG H H 30 7.701 7.701 7.566 0.135 25638 4501 1 8 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.554 -0.288 25638 4502 1 8 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.880 0.065 25638 4503 1 8 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.261 -0.247 25638 4504 1 8 . 1 1 32 32 GLU N N 32 122.391 122.391 122.128 0.263 25638 4505 1 8 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.097 0.091 25638 4506 1 8 . 1 1 32 32 GLU C C 32 177.401 177.401 176.723 0.678 25638 4507 1 8 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.515 -0.126 25638 4508 1 8 . 1 1 32 32 GLU CB C 32 30.188 30.188 29.592 0.596 25638 4509 1 8 . 1 1 32 32 GLU H H 32 8.454 8.454 8.730 -0.276 25638 4510 1 8 . 1 1 33 33 LYS N N 33 123.127 123.127 117.295 5.832 25638 4511 1 8 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.010 0.166 25638 4512 1 8 . 1 1 33 33 LYS C C 33 178.482 178.482 176.279 2.203 25638 4513 1 8 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.370 0.757 25638 4514 1 8 . 1 1 33 33 LYS CB C 33 32.640 32.640 31.509 1.131 25638 4515 1 8 . 1 1 33 33 LYS H H 33 8.338 8.338 8.213 0.124 25638 4516 1 8 . 1 1 34 34 GLY N N 34 109.507 109.507 104.675 4.832 25638 4517 1 8 . 1 1 34 34 GLY C C 34 175.475 175.475 175.716 -0.241 25638 4518 1 8 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.930 -0.612 25638 4519 1 8 . 1 1 34 34 GLY H H 34 8.643 8.643 7.876 0.767 25638 4520 1 8 . 1 1 35 35 LEU N N 35 120.392 120.392 120.105 0.287 25638 4521 1 8 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.221 0.294 25638 4522 1 8 . 1 1 35 35 LEU C C 35 178.797 178.797 177.130 1.667 25638 4523 1 8 . 1 1 35 35 LEU CA C 35 54.449 54.449 56.495 -2.046 25638 4524 1 8 . 1 1 35 35 LEU CB C 35 43.116 43.116 41.977 1.139 25638 4525 1 8 . 1 1 35 35 LEU H H 35 7.480 7.480 7.681 -0.201 25638 4526 1 8 . 1 1 36 36 SER N N 36 118.629 118.629 110.132 8.497 25638 4527 1 8 . 1 1 36 36 SER HA H 36 4.471 4.471 4.623 -0.152 25638 4528 1 8 . 1 1 36 36 SER C C 36 175.632 175.632 174.342 1.290 25638 4529 1 8 . 1 1 36 36 SER CA C 36 57.814 57.814 57.503 0.311 25638 4530 1 8 . 1 1 36 36 SER CB C 36 64.678 64.678 64.172 0.506 25638 4531 1 8 . 1 1 36 36 SER H H 36 8.838 8.838 7.627 1.211 25638 4532 1 8 . 1 1 37 37 GLU N N 37 122.722 122.722 122.951 -0.229 25638 4533 1 8 . 1 1 37 37 GLU HA H 37 4.014 4.014 3.995 0.019 25638 4534 1 8 . 1 1 37 37 GLU C C 37 179.976 179.976 177.750 2.226 25638 4535 1 8 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.635 0.943 25638 4536 1 8 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.428 -0.079 25638 4537 1 8 . 1 1 37 37 GLU H H 37 9.018 9.018 8.970 0.048 25638 4538 1 8 . 1 1 38 38 ARG N N 38 118.418 118.418 119.432 -1.014 25638 4539 1 8 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.204 -0.091 25638 4540 1 8 . 1 1 38 38 ARG C C 38 180.212 180.212 179.094 1.118 25638 4541 1 8 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.370 1.078 25638 4542 1 8 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.044 -0.237 25638 4543 1 8 . 1 1 38 38 ARG H H 38 8.509 8.509 8.259 0.250 25638 4544 1 8 . 1 1 39 39 GLU N N 39 119.730 119.730 119.279 0.451 25638 4545 1 8 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.162 -0.072 25638 4546 1 8 . 1 1 39 39 GLU C C 39 180.529 180.529 178.964 1.565 25638 4547 1 8 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.313 -0.420 25638 4548 1 8 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.782 1.774 25638 4549 1 8 . 1 1 39 39 GLU H H 39 7.761 7.761 8.600 -0.839 25638 4550 1 8 . 1 1 40 40 GLN N N 40 121.665 121.665 118.813 2.852 25638 4551 1 8 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.122 -0.078 25638 4552 1 8 . 1 1 40 40 GLN C C 40 179.760 179.760 178.474 1.286 25638 4553 1 8 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.865 0.504 25638 4554 1 8 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.361 0.127 25638 4555 1 8 . 1 1 40 40 GLN H H 40 8.871 8.871 8.237 0.634 25638 4556 1 8 . 1 1 41 41 LEU N N 41 121.002 121.002 118.450 2.552 25638 4557 1 8 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.233 -0.006 25638 4558 1 8 . 1 1 41 41 LEU C C 41 180.841 180.841 177.024 3.817 25638 4559 1 8 . 1 1 41 41 LEU CA C 41 58.290 58.290 56.271 2.019 25638 4560 1 8 . 1 1 41 41 LEU CB C 41 41.601 41.601 42.048 -0.447 25638 4561 1 8 . 1 1 41 41 LEU H H 41 8.140 8.140 8.048 0.092 25638 4562 1 8 . 1 1 42 42 GLU N N 42 119.818 119.818 119.146 0.672 25638 4563 1 8 . 1 1 42 42 GLU HA H 42 4.234 4.234 4.204 0.031 25638 4564 1 8 . 1 1 42 42 GLU C C 42 179.603 179.603 178.676 0.927 25638 4565 1 8 . 1 1 42 42 GLU CA C 42 58.910 58.910 58.408 0.502 25638 4566 1 8 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.132 -0.165 25638 4567 1 8 . 1 1 42 42 GLU H H 42 7.894 7.894 7.820 0.074 25638 4568 1 8 . 1 1 43 43 HIS N N 43 119.964 119.964 120.516 -0.552 25638 4569 1 8 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.324 0.097 25638 4570 1 8 . 1 1 43 43 HIS C C 43 179.140 179.140 177.877 1.263 25638 4571 1 8 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.519 -0.706 25638 4572 1 8 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.133 -0.689 25638 4573 1 8 . 1 1 43 43 HIS H H 43 8.437 8.437 8.888 -0.451 25638 4574 1 8 . 1 1 44 44 THR N N 44 117.768 117.768 115.453 2.315 25638 4575 1 8 . 1 1 44 44 THR HA H 44 3.884 3.884 4.132 -0.248 25638 4576 1 8 . 1 1 44 44 THR C C 44 179.008 179.008 176.621 2.387 25638 4577 1 8 . 1 1 44 44 THR CA C 44 67.603 67.603 67.169 0.434 25638 4578 1 8 . 1 1 44 44 THR CB C 44 68.981 68.981 68.508 0.473 25638 4579 1 8 . 1 1 44 44 THR H H 44 8.589 8.589 8.407 0.182 25638 4580 1 8 . 1 1 45 45 ARG N N 45 121.750 121.750 121.881 -0.131 25638 4581 1 8 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.209 -0.330 25638 4582 1 8 . 1 1 45 45 ARG C C 45 178.817 178.817 178.780 0.037 25638 4583 1 8 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.424 1.435 25638 4584 1 8 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.665 1.051 25638 4585 1 8 . 1 1 45 45 ARG H H 45 8.255 8.255 7.789 0.466 25638 4586 1 8 . 1 1 46 46 GLN N N 46 116.576 116.576 119.673 -3.097 25638 4587 1 8 . 1 1 46 46 GLN HA H 46 4.024 4.024 3.989 0.035 25638 4588 1 8 . 1 1 46 46 GLN C C 46 181.018 181.018 178.335 2.683 25638 4589 1 8 . 1 1 46 46 GLN CA C 46 59.575 59.575 59.272 0.303 25638 4590 1 8 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.148 -0.394 25638 4591 1 8 . 1 1 46 46 GLN H H 46 8.328 8.328 8.539 -0.211 25638 4592 1 8 . 1 1 47 47 CYS N N 47 118.569 118.569 118.390 0.179 25638 4593 1 8 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.081 0.002 25638 4594 1 8 . 1 1 47 47 CYS C C 47 177.244 177.244 176.888 0.356 25638 4595 1 8 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.090 0.014 25638 4596 1 8 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.312 -0.249 25638 4597 1 8 . 1 1 47 47 CYS H H 47 8.029 8.029 8.312 -0.283 25638 4598 1 8 . 1 1 48 48 LEU N N 48 119.873 119.873 122.263 -2.390 25638 4599 1 8 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.056 0.013 25638 4600 1 8 . 1 1 48 48 LEU C C 48 179.839 179.839 178.534 1.305 25638 4601 1 8 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.458 -0.145 25638 4602 1 8 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.913 0.312 25638 4603 1 8 . 1 1 48 48 LEU H H 48 8.539 8.539 8.414 0.125 25638 4604 1 8 . 1 1 49 49 ILE N N 49 119.523 119.523 115.456 4.067 25638 4605 1 8 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.057 -0.087 25638 4606 1 8 . 1 1 49 49 ILE C C 49 178.188 178.188 177.829 0.359 25638 4607 1 8 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.349 0.862 25638 4608 1 8 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.436 0.559 25638 4609 1 8 . 1 1 49 49 ILE H H 49 8.516 8.516 8.486 0.030 25638 4610 1 8 . 1 1 50 50 LYS N N 50 118.622 118.622 120.471 -1.849 25638 4611 1 8 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.194 -0.001 25638 4612 1 8 . 1 1 50 50 LYS C C 50 181.391 181.391 179.474 1.917 25638 4613 1 8 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.581 -0.034 25638 4614 1 8 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.072 0.518 25638 4615 1 8 . 1 1 50 50 LYS H H 50 7.522 7.522 7.606 -0.084 25638 4616 1 8 . 1 1 51 51 ILE N N 51 119.288 119.288 120.190 -0.902 25638 4617 1 8 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.604 -0.155 25638 4618 1 8 . 1 1 51 51 ILE C C 51 178.384 178.384 177.786 0.598 25638 4619 1 8 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.919 -0.152 25638 4620 1 8 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.892 1.088 25638 4621 1 8 . 1 1 51 51 ILE H H 51 8.107 8.107 8.375 -0.268 25638 4622 1 8 . 1 1 52 52 GLY N N 52 108.211 108.211 106.604 1.607 25638 4623 1 8 . 1 1 52 52 GLY C C 52 178.168 178.168 175.219 2.949 25638 4624 1 8 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.510 0.554 25638 4625 1 8 . 1 1 52 52 GLY H H 52 9.224 9.224 8.136 1.088 25638 4626 1 8 . 1 1 53 53 ASP N N 53 124.013 124.013 123.012 1.001 25638 4627 1 8 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.502 0.032 25638 4628 1 8 . 1 1 53 53 ASP C C 53 179.976 179.976 178.180 1.796 25638 4629 1 8 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.101 0.527 25638 4630 1 8 . 1 1 53 53 ASP CB C 53 39.282 39.282 41.029 -1.746 25638 4631 1 8 . 1 1 53 53 ASP H H 53 9.091 9.091 8.342 0.749 25638 4632 1 8 . 1 1 54 54 HIS N N 54 121.598 121.598 119.124 2.474 25638 4633 1 8 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.280 0.126 25638 4634 1 8 . 1 1 54 54 HIS C C 54 178.982 178.982 178.055 0.927 25638 4635 1 8 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.903 0.557 25638 4636 1 8 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.748 1.819 25638 4637 1 8 . 1 1 54 54 HIS H H 54 7.664 7.664 8.046 -0.382 25638 4638 1 8 . 1 1 55 55 ILE N N 55 121.892 121.892 121.009 0.883 25638 4639 1 8 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.502 -0.318 25638 4640 1 8 . 1 1 55 55 ILE C C 55 178.188 178.188 177.761 0.427 25638 4641 1 8 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.516 2.162 25638 4642 1 8 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.389 -0.145 25638 4643 1 8 . 1 1 55 55 ILE H H 55 8.255 8.255 8.415 -0.160 25638 4644 1 8 . 1 1 56 56 THR N N 56 115.458 115.458 116.216 -0.758 25638 4645 1 8 . 1 1 56 56 THR HA H 56 3.759 3.759 3.879 -0.120 25638 4646 1 8 . 1 1 56 56 THR C C 56 180.195 180.195 176.837 3.358 25638 4647 1 8 . 1 1 56 56 THR CA C 56 67.551 67.551 66.986 0.565 25638 4648 1 8 . 1 1 56 56 THR CB C 56 68.756 68.756 68.292 0.464 25638 4649 1 8 . 1 1 56 56 THR H H 56 8.047 8.047 7.795 0.252 25638 4650 1 8 . 1 1 57 57 GLU N N 57 121.544 121.544 120.671 0.873 25638 4651 1 8 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.083 -0.129 25638 4652 1 8 . 1 1 57 57 GLU C C 57 180.979 180.979 178.844 2.135 25638 4653 1 8 . 1 1 57 57 GLU CA C 57 59.379 59.379 58.945 0.434 25638 4654 1 8 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.051 -0.311 25638 4655 1 8 . 1 1 57 57 GLU H H 57 7.591 7.591 8.221 -0.630 25638 4656 1 8 . 1 1 58 58 CYS N N 58 118.970 118.970 118.785 0.185 25638 4657 1 8 . 1 1 58 58 CYS HA H 58 3.940 3.940 3.951 -0.011 25638 4658 1 8 . 1 1 58 58 CYS C C 58 178.089 178.089 177.257 0.832 25638 4659 1 8 . 1 1 58 58 CYS CA C 58 63.222 63.222 63.469 -0.247 25638 4660 1 8 . 1 1 58 58 CYS CB C 58 26.562 26.562 27.654 -1.092 25638 4661 1 8 . 1 1 58 58 CYS H H 58 8.206 8.206 7.631 0.575 25638 4662 1 8 . 1 1 59 59 LEU N N 59 116.873 116.873 120.255 -3.382 25638 4663 1 8 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.130 0.121 25638 4664 1 8 . 1 1 59 59 LEU C C 59 179.033 179.033 178.939 0.094 25638 4665 1 8 . 1 1 59 59 LEU CA C 59 56.039 56.039 56.505 -0.466 25638 4666 1 8 . 1 1 59 59 LEU CB C 59 41.037 41.037 40.835 0.202 25638 4667 1 8 . 1 1 59 59 LEU H H 59 7.726 7.726 8.069 -0.343 25638 4668 1 8 . 1 1 60 60 LYS N N 60 117.911 117.911 118.705 -0.794 25638 4669 1 8 . 1 1 60 60 LYS HA H 60 4.131 4.131 3.995 0.136 25638 4670 1 8 . 1 1 60 60 LYS C C 60 177.912 177.912 177.563 0.349 25638 4671 1 8 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.673 -0.136 25638 4672 1 8 . 1 1 60 60 LYS CB C 60 32.390 32.390 32.066 0.324 25638 4673 1 8 . 1 1 60 60 LYS H H 60 7.298 7.298 7.974 -0.676 25638 4674 1 8 . 1 1 61 61 GLU N N 61 115.507 115.507 116.983 -1.476 25638 4675 1 8 . 1 1 61 61 GLU HA H 61 3.889 3.889 4.024 -0.135 25638 4676 1 8 . 1 1 61 61 GLU C C 61 176.576 176.576 177.027 -0.451 25638 4677 1 8 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.386 -0.335 25638 4678 1 8 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.993 -0.259 25638 4679 1 8 . 1 1 61 61 GLU H H 61 7.084 7.084 7.244 -0.160 25638 4680 1 8 . 1 1 62 62 TYR N N 62 118.581 118.581 118.494 0.087 25638 4681 1 8 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.512 0.194 25638 4682 1 8 . 1 1 62 62 TYR C C 62 175.935 175.935 176.273 -0.338 25638 4683 1 8 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.193 -0.046 25638 4684 1 8 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.920 1.465 25638 4685 1 8 . 1 1 62 62 TYR H H 62 7.387 7.387 7.158 0.229 25638 4686 1 8 . 1 1 63 63 THR N N 63 109.064 109.064 110.675 -1.611 25638 4687 1 8 . 1 1 63 63 THR HA H 63 4.507 4.507 4.363 0.144 25638 4688 1 8 . 1 1 63 63 THR C C 63 175.888 175.888 175.050 0.838 25638 4689 1 8 . 1 1 63 63 THR CA C 63 61.684 61.684 62.373 -0.689 25638 4690 1 8 . 1 1 63 63 THR CB C 63 70.092 70.092 69.501 0.591 25638 4691 1 8 . 1 1 63 63 THR H H 63 8.471 8.471 8.282 0.189 25638 4692 1 8 . 1 1 64 64 ASN N N 64 123.204 123.204 122.126 1.078 25638 4693 1 8 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.837 0.334 25638 4694 1 8 . 1 1 64 64 ASN C C 64 175.495 175.495 175.499 -0.004 25638 4695 1 8 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.136 -0.999 25638 4696 1 8 . 1 1 64 64 ASN CB C 64 39.680 39.680 39.214 0.466 25638 4697 1 8 . 1 1 64 64 ASN H H 64 7.993 7.993 8.234 -0.241 25638 4698 1 8 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.363 -0.093 25638 4699 1 8 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.597 0.095 25638 4700 1 8 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.205 0.194 25638 4701 1 8 . 1 1 66 66 GLU N N 66 118.060 118.060 119.199 -1.139 25638 4702 1 8 . 1 1 66 66 GLU HA H 66 4.132 4.132 3.924 0.208 25638 4703 1 8 . 1 1 66 66 GLU C C 66 180.409 180.409 178.672 1.737 25638 4704 1 8 . 1 1 66 66 GLU CA C 66 59.374 59.374 60.227 -0.853 25638 4705 1 8 . 1 1 66 66 GLU CB C 66 28.803 28.803 29.023 -0.220 25638 4706 1 8 . 1 1 66 66 GLU H H 66 8.297 8.297 8.791 -0.494 25638 4707 1 8 . 1 1 67 67 GLN N N 67 120.531 120.531 118.143 2.388 25638 4708 1 8 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.947 0.220 25638 4709 1 8 . 1 1 67 67 GLN C C 67 179.072 179.072 178.620 0.452 25638 4710 1 8 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.069 -0.241 25638 4711 1 8 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.431 0.812 25638 4712 1 8 . 1 1 67 67 GLN H H 67 7.738 7.738 8.219 -0.481 25638 4713 1 8 . 1 1 68 68 ILE N N 68 119.632 119.632 118.065 1.567 25638 4714 1 8 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.966 -0.418 25638 4715 1 8 . 1 1 68 68 ILE C C 68 178.109 178.109 178.147 -0.038 25638 4716 1 8 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.243 1.353 25638 4717 1 8 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.575 1.363 25638 4718 1 8 . 1 1 68 68 ILE H H 68 7.956 7.956 8.370 -0.414 25638 4719 1 8 . 1 1 69 69 LYS N N 69 117.236 117.236 119.675 -2.439 25638 4720 1 8 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.041 -0.112 25638 4721 1 8 . 1 1 69 69 LYS C C 69 180.271 180.271 179.193 1.078 25638 4722 1 8 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.544 0.377 25638 4723 1 8 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.201 0.406 25638 4724 1 8 . 1 1 69 69 LYS H H 69 7.665 7.665 7.934 -0.269 25638 4725 1 8 . 1 1 70 70 GLN N N 70 118.748 118.748 120.305 -1.557 25638 4726 1 8 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.068 -0.213 25638 4727 1 8 . 1 1 70 70 GLN C C 70 179.131 179.131 178.025 1.106 25638 4728 1 8 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.704 -0.452 25638 4729 1 8 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.088 0.589 25638 4730 1 8 . 1 1 70 70 GLN H H 70 7.787 7.787 8.422 -0.635 25638 4731 1 8 . 1 1 71 71 TRP N N 71 118.896 118.896 119.959 -1.063 25638 4732 1 8 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.351 -0.308 25638 4733 1 8 . 1 1 71 71 TRP C C 71 178.679 178.679 178.607 0.072 25638 4734 1 8 . 1 1 71 71 TRP CA C 71 61.949 61.949 59.851 2.098 25638 4735 1 8 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.369 -1.125 25638 4736 1 8 . 1 1 71 71 TRP H H 71 8.374 8.374 8.471 -0.097 25638 4737 1 8 . 1 1 72 72 ARG N N 72 122.698 122.698 120.327 2.371 25638 4738 1 8 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.909 -0.090 25638 4739 1 8 . 1 1 72 72 ARG C C 72 178.561 178.561 178.572 -0.011 25638 4740 1 8 . 1 1 72 72 ARG CA C 72 61.032 61.032 60.221 0.812 25638 4741 1 8 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.149 0.120 25638 4742 1 8 . 1 1 72 72 ARG H H 72 8.808 8.808 8.232 0.576 25638 4743 1 8 . 1 1 73 73 LYS N N 73 116.946 116.946 118.269 -1.323 25638 4744 1 8 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.194 -0.014 25638 4745 1 8 . 1 1 73 73 LYS C C 73 179.622 179.622 178.908 0.714 25638 4746 1 8 . 1 1 73 73 LYS CA C 73 59.535 59.535 60.022 -0.487 25638 4747 1 8 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.465 -0.750 25638 4748 1 8 . 1 1 73 73 LYS H H 73 7.380 7.380 7.814 -0.434 25638 4749 1 8 . 1 1 74 74 ASN N N 74 116.434 116.434 119.270 -2.836 25638 4750 1 8 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.581 -0.304 25638 4751 1 8 . 1 1 74 74 ASN C C 74 178.148 178.148 178.133 0.015 25638 4752 1 8 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.108 -0.245 25638 4753 1 8 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.130 -0.096 25638 4754 1 8 . 1 1 74 74 ASN H H 74 8.309 8.309 8.503 -0.194 25638 4755 1 8 . 1 1 75 75 LEU N N 75 118.967 118.967 120.913 -1.946 25638 4756 1 8 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.200 -0.075 25638 4757 1 8 . 1 1 75 75 LEU C C 75 180.251 180.251 178.821 1.430 25638 4758 1 8 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.930 -0.103 25638 4759 1 8 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.764 -0.780 25638 4760 1 8 . 1 1 75 75 LEU H H 75 8.635 8.635 8.316 0.319 25638 4761 1 8 . 1 1 76 76 TRP N N 76 118.544 118.544 119.680 -1.136 25638 4762 1 8 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.324 0.255 25638 4763 1 8 . 1 1 76 76 TRP C C 76 180.900 180.900 179.055 1.845 25638 4764 1 8 . 1 1 76 76 TRP CA C 76 61.416 61.416 59.909 1.507 25638 4765 1 8 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.412 -0.314 25638 4766 1 8 . 1 1 76 76 TRP H H 76 8.006 8.006 7.466 0.540 25638 4767 1 8 . 1 1 77 77 ILE N N 77 121.982 121.982 120.561 1.421 25638 4768 1 8 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.816 0.015 25638 4769 1 8 . 1 1 77 77 ILE C C 77 181.254 181.254 178.922 2.332 25638 4770 1 8 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.478 0.563 25638 4771 1 8 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.223 -0.873 25638 4772 1 8 . 1 1 77 77 ILE H H 77 8.893 8.893 8.988 -0.095 25638 4773 1 8 . 1 1 78 78 PHE N N 78 123.458 123.458 121.596 1.862 25638 4774 1 8 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.331 -0.287 25638 4775 1 8 . 1 1 78 78 PHE C C 78 177.618 177.618 177.681 -0.063 25638 4776 1 8 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.721 1.359 25638 4777 1 8 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.023 -0.313 25638 4778 1 8 . 1 1 78 78 PHE H H 78 8.753 8.753 8.325 0.428 25638 4779 1 8 . 1 1 79 79 VAL N N 79 117.726 117.726 119.388 -1.662 25638 4780 1 8 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.620 -0.141 25638 4781 1 8 . 1 1 79 79 VAL C C 79 178.876 178.876 178.035 0.841 25638 4782 1 8 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.283 0.530 25638 4783 1 8 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.005 0.567 25638 4784 1 8 . 1 1 79 79 VAL H H 79 8.232 8.232 8.470 -0.238 25638 4785 1 8 . 1 1 80 80 SER N N 80 114.568 114.568 113.218 1.350 25638 4786 1 8 . 1 1 80 80 SER HA H 80 4.339 4.339 4.553 -0.214 25638 4787 1 8 . 1 1 80 80 SER C C 80 176.261 176.261 175.607 0.654 25638 4788 1 8 . 1 1 80 80 SER CA C 80 61.337 61.337 60.702 0.635 25638 4789 1 8 . 1 1 80 80 SER CB C 80 62.712 62.712 62.561 0.151 25638 4790 1 8 . 1 1 80 80 SER H H 80 8.353 8.353 8.533 -0.180 25638 4791 1 8 . 1 1 81 81 LYS N N 81 121.180 121.180 119.871 1.309 25638 4792 1 8 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.392 -0.194 25638 4793 1 8 . 1 1 81 81 LYS C C 81 178.305 178.305 177.243 1.062 25638 4794 1 8 . 1 1 81 81 LYS CA C 81 57.104 57.104 57.182 -0.078 25638 4795 1 8 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.710 -2.051 25638 4796 1 8 . 1 1 81 81 LYS H H 81 7.481 7.481 7.246 0.235 25638 4797 1 8 . 1 1 82 82 PHE N N 82 117.950 117.950 119.887 -1.937 25638 4798 1 8 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.234 0.163 25638 4799 1 8 . 1 1 82 82 PHE C C 82 174.787 174.787 177.192 -2.405 25638 4800 1 8 . 1 1 82 82 PHE CA C 82 58.398 58.398 61.422 -3.024 25638 4801 1 8 . 1 1 82 82 PHE CB C 82 38.937 38.937 39.276 -0.339 25638 4802 1 8 . 1 1 82 82 PHE H H 82 8.256 8.256 7.705 0.551 25638 4803 1 8 . 1 1 83 83 THR N N 83 109.995 109.995 112.228 -2.233 25638 4804 1 8 . 1 1 83 83 THR HA H 83 4.988 4.988 4.360 0.628 25638 4805 1 8 . 1 1 83 83 THR C C 83 174.138 174.138 174.623 -0.485 25638 4806 1 8 . 1 1 83 83 THR CA C 83 59.609 59.609 61.751 -2.142 25638 4807 1 8 . 1 1 83 83 THR CB C 83 71.080 71.080 70.243 0.837 25638 4808 1 8 . 1 1 83 83 THR H H 83 7.665 7.665 7.862 -0.197 25638 4809 1 8 . 1 1 84 84 GLU N N 84 119.416 119.416 121.415 -1.999 25638 4810 1 8 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.247 0.148 25638 4811 1 8 . 1 1 84 84 GLU C C 84 177.912 177.912 175.918 1.994 25638 4812 1 8 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.131 -0.635 25638 4813 1 8 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.524 -0.002 25638 4814 1 8 . 1 1 84 84 GLU H H 84 8.409 8.409 8.606 -0.197 25638 4815 1 8 . 1 1 85 85 PHE N N 85 120.265 120.265 119.536 0.729 25638 4816 1 8 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.584 0.307 25638 4817 1 8 . 1 1 85 85 PHE C C 85 175.809 175.809 175.180 0.629 25638 4818 1 8 . 1 1 85 85 PHE CA C 85 56.109 56.109 56.501 -0.392 25638 4819 1 8 . 1 1 85 85 PHE CB C 85 41.188 41.188 38.911 2.277 25638 4820 1 8 . 1 1 85 85 PHE H H 85 8.210 8.210 7.475 0.735 25638 4821 1 8 . 1 1 86 86 ASP N N 86 118.128 118.128 123.768 -5.640 25638 4822 1 8 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.486 0.250 25638 4823 1 8 . 1 1 86 86 ASP C C 86 176.986 176.986 177.665 -0.679 25638 4824 1 8 . 1 1 86 86 ASP CA C 86 53.183 53.183 54.565 -1.382 25638 4825 1 8 . 1 1 86 86 ASP CB C 86 42.533 42.533 43.096 -0.562 25638 4826 1 8 . 1 1 86 86 ASP H H 86 8.119 8.119 8.398 -0.279 25638 4827 1 8 . 1 1 87 87 ALA N N 87 121.912 121.912 125.499 -3.587 25638 4828 1 8 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.082 -0.093 25638 4829 1 8 . 1 1 87 87 ALA C C 87 180.378 180.378 179.234 1.144 25638 4830 1 8 . 1 1 87 87 ALA CA C 87 56.075 56.075 54.892 1.183 25638 4831 1 8 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.841 1.366 25638 4832 1 8 . 1 1 87 87 ALA H H 87 8.757 8.757 8.691 0.066 25638 4833 1 8 . 1 1 88 88 ARG N N 88 117.072 117.072 118.503 -1.431 25638 4834 1 8 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.137 -0.181 25638 4835 1 8 . 1 1 88 88 ARG C C 88 179.975 179.975 178.126 1.849 25638 4836 1 8 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.707 -0.455 25638 4837 1 8 . 1 1 88 88 ARG CB C 88 29.613 29.613 30.043 -0.430 25638 4838 1 8 . 1 1 88 88 ARG H H 88 8.147 8.147 8.357 -0.210 25638 4839 1 8 . 1 1 89 89 LYS N N 89 121.809 121.809 119.180 2.629 25638 4840 1 8 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.075 -0.166 25638 4841 1 8 . 1 1 89 89 LYS C C 89 179.505 179.505 178.605 0.900 25638 4842 1 8 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.762 0.224 25638 4843 1 8 . 1 1 89 89 LYS CB C 89 32.334 32.334 31.927 0.407 25638 4844 1 8 . 1 1 89 89 LYS H H 89 8.022 8.022 7.984 0.038 25638 4845 1 8 . 1 1 90 90 LEU N N 90 118.429 118.429 121.500 -3.071 25638 4846 1 8 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.817 -0.073 25638 4847 1 8 . 1 1 90 90 LEU C C 90 178.069 178.069 177.695 0.374 25638 4848 1 8 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.364 -0.321 25638 4849 1 8 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.761 0.701 25638 4850 1 8 . 1 1 90 90 LEU H H 90 8.139 8.139 8.773 -0.634 25638 4851 1 8 . 1 1 91 91 HIS N N 91 117.214 117.214 115.508 1.706 25638 4852 1 8 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.352 0.627 25638 4853 1 8 . 1 1 91 91 HIS C C 91 178.069 178.069 176.889 1.180 25638 4854 1 8 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.095 0.083 25638 4855 1 8 . 1 1 91 91 HIS CB C 91 29.428 29.428 28.489 0.939 25638 4856 1 8 . 1 1 91 91 HIS H H 91 7.379 7.379 7.636 -0.257 25638 4857 1 8 . 1 1 92 92 LYS N N 92 118.466 118.466 120.045 -1.579 25638 4858 1 8 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.616 0.019 25638 4859 1 8 . 1 1 92 92 LYS C C 92 180.310 180.310 178.512 1.798 25638 4860 1 8 . 1 1 92 92 LYS CA C 92 59.924 59.924 58.545 1.379 25638 4861 1 8 . 1 1 92 92 LYS CB C 92 32.365 32.365 31.759 0.607 25638 4862 1 8 . 1 1 92 92 LYS H H 92 7.599 7.599 7.219 0.380 25638 4863 1 8 . 1 1 93 93 LEU N N 93 120.752 120.752 119.301 1.451 25638 4864 1 8 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.795 0.188 25638 4865 1 8 . 1 1 93 93 LEU C C 93 181.269 181.269 179.112 2.157 25638 4866 1 8 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.116 -0.116 25638 4867 1 8 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.641 0.698 25638 4868 1 8 . 1 1 93 93 LEU H H 93 8.351 8.351 7.886 0.465 25638 4869 1 8 . 1 1 94 94 TYR N N 94 122.311 122.311 120.060 2.251 25638 4870 1 8 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.059 0.077 25638 4871 1 8 . 1 1 94 94 TYR C C 94 176.789 176.789 177.282 -0.493 25638 4872 1 8 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.735 -0.435 25638 4873 1 8 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.424 0.154 25638 4874 1 8 . 1 1 94 94 TYR H H 94 8.290 8.290 7.808 0.482 25638 4875 1 8 . 1 1 95 95 LYS N N 95 117.851 117.851 119.327 -1.476 25638 4876 1 8 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.667 -0.241 25638 4877 1 8 . 1 1 95 95 LYS C C 95 180.684 180.684 178.883 1.801 25638 4878 1 8 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.889 -0.510 25638 4879 1 8 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.189 -0.941 25638 4880 1 8 . 1 1 95 95 LYS H H 95 8.180 8.180 8.283 -0.103 25638 4881 1 8 . 1 1 96 96 HIS N N 96 117.611 117.611 117.687 -0.076 25638 4882 1 8 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.165 0.048 25638 4883 1 8 . 1 1 96 96 HIS C C 96 178.266 178.266 177.317 0.949 25638 4884 1 8 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.715 -0.441 25638 4885 1 8 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.966 0.237 25638 4886 1 8 . 1 1 96 96 HIS H H 96 8.049 8.049 8.167 -0.118 25638 4887 1 8 . 1 1 97 97 ALA N N 97 122.617 122.617 122.202 0.415 25638 4888 1 8 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.004 0.087 25638 4889 1 8 . 1 1 97 97 ALA C C 97 181.352 181.352 179.551 1.801 25638 4890 1 8 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.182 -0.537 25638 4891 1 8 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.134 -0.365 25638 4892 1 8 . 1 1 97 97 ALA H H 97 8.104 8.104 8.258 -0.154 25638 4893 1 8 . 1 1 98 98 ILE N N 98 111.626 111.626 119.211 -7.585 25638 4894 1 8 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.483 0.626 25638 4895 1 8 . 1 1 98 98 ILE C C 98 178.561 178.561 177.269 1.292 25638 4896 1 8 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.892 -2.163 25638 4897 1 8 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.818 -0.172 25638 4898 1 8 . 1 1 98 98 ILE H H 98 7.636 7.636 7.816 -0.180 25638 4899 1 8 . 1 1 99 99 LYS N N 99 124.158 124.158 120.327 3.831 25638 4900 1 8 . 1 1 99 99 LYS HA H 99 4.045 4.045 4.042 0.003 25638 4901 1 8 . 1 1 99 99 LYS C C 99 179.111 179.111 179.119 -0.008 25638 4902 1 8 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.282 -0.212 25638 4903 1 8 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.197 -0.025 25638 4904 1 8 . 1 1 99 99 LYS H H 99 7.359 7.359 7.874 -0.515 25638 4905 1 8 . 1 1 100 100 LYS N N 100 118.333 118.333 119.204 -0.871 25638 4906 1 8 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.011 0.132 25638 4907 1 8 . 1 1 100 100 LYS C C 100 179.111 179.111 179.344 -0.233 25638 4908 1 8 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.852 -1.640 25638 4909 1 8 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.359 -0.617 25638 4910 1 8 . 1 1 100 100 LYS H H 100 7.937 7.937 8.184 -0.247 25638 4911 1 8 . 1 1 101 101 ARG N N 101 121.125 121.125 118.281 2.844 25638 4912 1 8 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.183 -0.054 25638 4913 1 8 . 1 1 101 101 ARG C C 101 178.541 178.541 176.578 1.963 25638 4914 1 8 . 1 1 101 101 ARG CA C 101 58.166 58.166 57.097 1.069 25638 4915 1 8 . 1 1 101 101 ARG CB C 101 30.591 30.591 31.225 -0.634 25638 4916 1 8 . 1 1 101 101 ARG H H 101 7.895 7.895 7.756 0.139 25638 4917 1 8 . 1 1 102 102 GLN N N 102 119.756 119.756 117.209 2.547 25638 4918 1 8 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.509 -0.302 25638 4919 1 8 . 1 1 102 102 GLN C C 102 178.129 178.129 173.760 4.369 25638 4920 1 8 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.314 1.598 25638 4921 1 8 . 1 1 102 102 GLN CB C 102 28.921 28.921 31.401 -2.481 25638 4922 1 8 . 1 1 102 102 GLN H H 102 8.167 8.167 8.214 -0.047 25638 4923 1 8 . 1 1 103 103 GLU N N 103 120.553 120.553 127.123 -6.570 25638 4924 1 8 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.420 -0.220 25638 4925 1 8 . 1 1 103 103 GLU C C 103 178.286 178.286 175.432 2.854 25638 4926 1 8 . 1 1 103 103 GLU CA C 103 57.505 57.505 56.337 1.167 25638 4927 1 8 . 1 1 103 103 GLU CB C 103 29.924 29.924 30.321 -0.397 25638 4928 1 8 . 1 1 103 103 GLU H H 103 8.189 8.189 8.570 -0.381 25638 4929 1 8 . 1 1 104 104 SER N N 104 115.381 115.381 115.427 -0.046 25638 4930 1 8 . 1 1 104 104 SER HA H 104 4.431 4.431 4.545 -0.114 25638 4931 1 8 . 1 1 104 104 SER C C 104 175.750 175.750 172.661 3.089 25638 4932 1 8 . 1 1 104 104 SER CA C 104 59.154 59.154 58.041 1.113 25638 4933 1 8 . 1 1 104 104 SER CB C 104 63.456 63.456 64.356 -0.900 25638 4934 1 8 . 1 1 104 104 SER H H 104 8.099 8.099 8.529 -0.430 25638 4935 1 8 . 1 1 105 105 GLN N N 105 121.635 121.635 121.240 0.395 25638 4936 1 8 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.686 -0.351 25638 4937 1 8 . 1 1 105 105 GLN C C 105 177.008 177.008 174.571 2.437 25638 4938 1 8 . 1 1 105 105 GLN CA C 105 56.053 56.053 55.353 0.700 25638 4939 1 8 . 1 1 105 105 GLN CB C 105 29.128 29.128 32.332 -3.204 25638 4940 1 8 . 1 1 105 105 GLN H H 105 8.170 8.170 8.106 0.064 25638 4941 1 8 . 1 1 106 106 GLN N N 106 120.850 120.850 119.515 1.335 25638 4942 1 8 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.500 -0.169 25638 4943 1 8 . 1 1 106 106 GLN C C 106 176.713 176.713 175.246 1.467 25638 4944 1 8 . 1 1 106 106 GLN CA C 106 55.951 55.951 56.354 -0.403 25638 4945 1 8 . 1 1 106 106 GLN CB C 106 29.254 29.254 29.771 -0.517 25638 4946 1 8 . 1 1 106 106 GLN H H 106 8.281 8.281 8.625 -0.344 25638 4947 1 8 . 1 1 107 107 ASN N N 107 120.271 120.271 118.313 1.958 25638 4948 1 8 . 1 1 107 107 ASN HA H 107 4.790 4.790 5.170 -0.380 25638 4949 1 8 . 1 1 107 107 ASN C C 107 175.337 175.337 174.225 1.112 25638 4950 1 8 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.066 0.287 25638 4951 1 8 . 1 1 107 107 ASN CB C 107 39.094 39.094 40.663 -1.569 25638 4952 1 8 . 1 1 107 107 ASN H H 107 8.434 8.434 8.225 0.209 25638 4953 1 9 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.481 -0.036 25638 4954 1 9 . 1 1 2 2 PRO C C 2 178.089 178.089 177.276 0.813 25638 4955 1 9 . 1 1 2 2 PRO CA C 2 63.306 63.306 63.441 -0.135 25638 4956 1 9 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.139 0.329 25638 4957 1 9 . 1 1 3 3 LEU N N 3 122.239 122.239 121.138 1.101 25638 4958 1 9 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.391 -0.094 25638 4959 1 9 . 1 1 3 3 LEU C C 3 178.876 178.876 176.570 2.306 25638 4960 1 9 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.656 0.873 25638 4961 1 9 . 1 1 3 3 LEU CB C 3 42.150 42.150 40.989 1.161 25638 4962 1 9 . 1 1 3 3 LEU H H 3 8.522 8.522 7.910 0.612 25638 4963 1 9 . 1 1 4 4 GLY N N 4 109.572 109.572 109.220 0.352 25638 4964 1 9 . 1 1 4 4 GLY C C 4 174.630 174.630 174.068 0.562 25638 4965 1 9 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.897 0.436 25638 4966 1 9 . 1 1 4 4 GLY H H 4 8.349 8.349 7.842 0.507 25638 4967 1 9 . 1 1 5 5 SER N N 5 115.481 115.481 115.357 0.124 25638 4968 1 9 . 1 1 5 5 SER HA H 5 4.513 4.513 4.693 -0.180 25638 4969 1 9 . 1 1 5 5 SER C C 5 174.667 174.667 174.100 0.567 25638 4970 1 9 . 1 1 5 5 SER CA C 5 57.801 57.801 57.800 0.001 25638 4971 1 9 . 1 1 5 5 SER CB C 5 64.536 64.536 64.508 0.028 25638 4972 1 9 . 1 1 5 5 SER H H 5 8.119 8.119 8.092 0.027 25638 4973 1 9 . 1 1 6 6 LEU N N 6 121.895 121.895 122.195 -0.300 25638 4974 1 9 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.495 0.159 25638 4975 1 9 . 1 1 6 6 LEU C C 6 177.932 177.932 176.051 1.881 25638 4976 1 9 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.516 -0.594 25638 4977 1 9 . 1 1 6 6 LEU CB C 6 44.606 44.606 43.957 0.649 25638 4978 1 9 . 1 1 6 6 LEU H H 6 8.319 8.319 8.398 -0.079 25638 4979 1 9 . 1 1 7 7 ASP N N 7 121.978 121.978 123.039 -1.061 25638 4980 1 9 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.592 0.014 25638 4981 1 9 . 1 1 7 7 ASP C C 7 176.477 176.477 177.535 -1.058 25638 4982 1 9 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.484 -1.266 25638 4983 1 9 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.166 -1.208 25638 4984 1 9 . 1 1 7 7 ASP H H 7 8.318 8.318 8.294 0.024 25638 4985 1 9 . 1 1 8 8 GLN N N 8 119.885 119.885 121.645 -1.760 25638 4986 1 9 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.007 0.079 25638 4987 1 9 . 1 1 8 8 GLN C C 8 179.710 179.710 177.422 2.288 25638 4988 1 9 . 1 1 8 8 GLN CA C 8 59.825 59.825 58.727 1.098 25638 4989 1 9 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.739 -0.255 25638 4990 1 9 . 1 1 8 8 GLN H H 8 8.746 8.746 8.702 0.044 25638 4991 1 9 . 1 1 9 9 LYS N N 9 120.863 120.863 118.800 2.063 25638 4992 1 9 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.342 -0.145 25638 4993 1 9 . 1 1 9 9 LYS C C 9 180.333 180.333 178.705 1.628 25638 4994 1 9 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.320 0.054 25638 4995 1 9 . 1 1 9 9 LYS CB C 9 31.957 31.957 32.023 -0.066 25638 4996 1 9 . 1 1 9 9 LYS H H 9 8.454 8.454 8.302 0.152 25638 4997 1 9 . 1 1 10 10 THR N N 10 118.654 118.654 116.931 1.723 25638 4998 1 9 . 1 1 10 10 THR HA H 10 3.985 3.985 4.216 -0.231 25638 4999 1 9 . 1 1 10 10 THR C C 10 177.904 177.904 176.742 1.162 25638 5000 1 9 . 1 1 10 10 THR CA C 10 67.618 67.618 66.144 1.474 25638 5001 1 9 . 1 1 10 10 THR CB C 10 67.523 67.523 68.250 -0.727 25638 5002 1 9 . 1 1 10 10 THR H H 10 8.531 8.531 7.962 0.569 25638 5003 1 9 . 1 1 11 11 PHE N N 11 123.876 123.876 121.656 2.220 25638 5004 1 9 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.408 -0.414 25638 5005 1 9 . 1 1 11 11 PHE C C 11 177.676 177.676 177.906 -0.230 25638 5006 1 9 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.088 2.131 25638 5007 1 9 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.863 0.483 25638 5008 1 9 . 1 1 11 11 PHE H H 11 9.296 9.296 8.819 0.477 25638 5009 1 9 . 1 1 12 12 SER N N 12 114.219 114.219 115.546 -1.327 25638 5010 1 9 . 1 1 12 12 SER HA H 12 4.151 4.151 4.324 -0.172 25638 5011 1 9 . 1 1 12 12 SER C C 12 177.922 177.922 176.797 1.125 25638 5012 1 9 . 1 1 12 12 SER CA C 12 62.899 62.899 61.546 1.353 25638 5013 1 9 . 1 1 12 12 SER CB C 12 63.194 63.194 63.122 0.072 25638 5014 1 9 . 1 1 12 12 SER H H 12 8.306 8.306 8.001 0.305 25638 5015 1 9 . 1 1 13 13 ILE N N 13 123.613 123.613 122.394 1.219 25638 5016 1 9 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.771 0.066 25638 5017 1 9 . 1 1 13 13 ILE C C 13 179.563 179.563 177.786 1.777 25638 5018 1 9 . 1 1 13 13 ILE CA C 13 65.100 65.100 63.022 2.079 25638 5019 1 9 . 1 1 13 13 ILE CB C 13 38.310 38.310 36.505 1.805 25638 5020 1 9 . 1 1 13 13 ILE H H 13 7.897 7.897 8.192 -0.295 25638 5021 1 9 . 1 1 14 14 CYS N N 14 118.125 118.125 117.508 0.617 25638 5022 1 9 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.662 -0.111 25638 5023 1 9 . 1 1 14 14 CYS C C 14 176.010 176.010 176.322 -0.312 25638 5024 1 9 . 1 1 14 14 CYS CA C 14 64.572 64.572 62.571 2.001 25638 5025 1 9 . 1 1 14 14 CYS CB C 14 26.721 26.721 26.815 -0.094 25638 5026 1 9 . 1 1 14 14 CYS H H 14 8.329 8.329 8.154 0.175 25638 5027 1 9 . 1 1 15 15 LYS N N 15 118.532 118.532 120.078 -1.546 25638 5028 1 9 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.835 -0.686 25638 5029 1 9 . 1 1 15 15 LYS C C 15 179.846 179.846 178.509 1.337 25638 5030 1 9 . 1 1 15 15 LYS CA C 15 59.732 59.732 58.906 0.826 25638 5031 1 9 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.654 0.438 25638 5032 1 9 . 1 1 15 15 LYS H H 15 8.025 8.025 6.929 1.096 25638 5033 1 9 . 1 1 16 16 GLU N N 16 118.138 118.138 119.548 -1.410 25638 5034 1 9 . 1 1 16 16 GLU HA H 16 4.027 4.027 3.964 0.063 25638 5035 1 9 . 1 1 16 16 GLU C C 16 180.959 180.959 178.964 1.995 25638 5036 1 9 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.929 0.213 25638 5037 1 9 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.707 -0.594 25638 5038 1 9 . 1 1 16 16 GLU H H 16 7.403 7.403 8.073 -0.670 25638 5039 1 9 . 1 1 17 17 ARG N N 17 117.969 117.969 116.935 1.034 25638 5040 1 9 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.095 -0.032 25638 5041 1 9 . 1 1 17 17 ARG C C 17 179.544 179.544 177.959 1.585 25638 5042 1 9 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.676 0.479 25638 5043 1 9 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.500 -0.533 25638 5044 1 9 . 1 1 17 17 ARG H H 17 8.325 8.325 8.018 0.307 25638 5045 1 9 . 1 1 18 18 MET N N 18 113.332 113.332 119.341 -6.009 25638 5046 1 9 . 1 1 18 18 MET HA H 18 4.561 4.561 4.616 -0.055 25638 5047 1 9 . 1 1 18 18 MET C C 18 176.890 176.890 175.344 1.546 25638 5048 1 9 . 1 1 18 18 MET CA C 18 53.377 53.377 52.814 0.563 25638 5049 1 9 . 1 1 18 18 MET CB C 18 29.724 29.724 29.982 -0.258 25638 5050 1 9 . 1 1 18 18 MET H H 18 7.718 7.718 7.820 -0.102 25638 5051 1 9 . 1 1 19 19 ARG N N 19 123.288 123.288 122.562 0.726 25638 5052 1 9 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.493 -0.342 25638 5053 1 9 . 1 1 19 19 ARG C C 19 176.556 176.556 176.022 0.534 25638 5054 1 9 . 1 1 19 19 ARG CA C 19 61.133 61.133 59.809 1.324 25638 5055 1 9 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.301 -0.043 25638 5056 1 9 . 1 1 19 19 ARG H H 19 7.152 7.152 7.520 -0.368 25638 5057 1 9 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.229 0.114 25638 5058 1 9 . 1 1 20 20 PRO CA C 20 65.997 65.997 64.790 1.207 25638 5059 1 9 . 1 1 20 20 PRO CB C 20 31.840 31.840 30.905 0.935 25638 5060 1 9 . 1 1 21 21 VAL N N 21 105.802 105.802 110.682 -4.880 25638 5061 1 9 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.331 0.490 25638 5062 1 9 . 1 1 21 21 VAL C C 21 176.261 176.261 176.668 -0.407 25638 5063 1 9 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.674 -1.571 25638 5064 1 9 . 1 1 21 21 VAL CB C 21 30.856 30.856 31.813 -0.957 25638 5065 1 9 . 1 1 21 21 VAL H H 21 7.352 7.352 7.338 0.014 25638 5066 1 9 . 1 1 22 22 LYS N N 22 122.802 122.802 122.183 0.619 25638 5067 1 9 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.829 -0.066 25638 5068 1 9 . 1 1 22 22 LYS C C 22 178.758 178.758 178.282 0.476 25638 5069 1 9 . 1 1 22 22 LYS CA C 22 60.332 60.332 59.914 0.418 25638 5070 1 9 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.121 0.093 25638 5071 1 9 . 1 1 22 22 LYS H H 22 7.640 7.640 7.951 -0.311 25638 5072 1 9 . 1 1 23 23 ALA N N 23 120.067 120.067 121.092 -1.025 25638 5073 1 9 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.064 0.011 25638 5074 1 9 . 1 1 23 23 ALA C C 23 180.998 180.998 179.309 1.689 25638 5075 1 9 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.020 0.139 25638 5076 1 9 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.992 -0.078 25638 5077 1 9 . 1 1 23 23 ALA H H 23 8.571 8.571 8.414 0.157 25638 5078 1 9 . 1 1 24 24 ALA N N 24 121.068 121.068 121.001 0.067 25638 5079 1 9 . 1 1 24 24 ALA HA H 24 4.162 4.162 3.974 0.188 25638 5080 1 9 . 1 1 24 24 ALA C C 24 180.271 180.271 179.553 0.718 25638 5081 1 9 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.487 0.269 25638 5082 1 9 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.218 -0.025 25638 5083 1 9 . 1 1 24 24 ALA H H 24 7.320 7.320 7.873 -0.553 25638 5084 1 9 . 1 1 25 25 LEU N N 25 117.214 117.214 119.283 -2.069 25638 5085 1 9 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.804 -0.093 25638 5086 1 9 . 1 1 25 25 LEU C C 25 179.524 179.524 179.389 0.135 25638 5087 1 9 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.209 -0.258 25638 5088 1 9 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.760 -1.130 25638 5089 1 9 . 1 1 25 25 LEU H H 25 7.698 7.698 8.626 -0.928 25638 5090 1 9 . 1 1 26 26 LYS N N 26 116.336 116.336 117.762 -1.426 25638 5091 1 9 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.127 0.036 25638 5092 1 9 . 1 1 26 26 LYS C C 26 179.308 179.308 179.174 0.134 25638 5093 1 9 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.139 -0.725 25638 5094 1 9 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.444 -0.278 25638 5095 1 9 . 1 1 26 26 LYS H H 26 7.675 7.675 7.931 -0.256 25638 5096 1 9 . 1 1 27 27 GLN N N 27 116.118 116.118 118.678 -2.560 25638 5097 1 9 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.206 0.069 25638 5098 1 9 . 1 1 27 27 GLN C C 27 178.679 178.679 177.933 0.746 25638 5099 1 9 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.299 -1.492 25638 5100 1 9 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.586 1.434 25638 5101 1 9 . 1 1 27 27 GLN H H 27 7.520 7.520 8.155 -0.635 25638 5102 1 9 . 1 1 28 28 LEU N N 28 121.335 121.335 117.859 3.476 25638 5103 1 9 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.227 -0.074 25638 5104 1 9 . 1 1 28 28 LEU C C 28 178.168 178.168 179.074 -0.906 25638 5105 1 9 . 1 1 28 28 LEU CA C 28 58.042 58.042 57.227 0.815 25638 5106 1 9 . 1 1 28 28 LEU CB C 28 41.911 41.911 42.413 -0.503 25638 5107 1 9 . 1 1 28 28 LEU H H 28 7.506 7.506 8.202 -0.696 25638 5108 1 9 . 1 1 29 29 ASP N N 29 117.486 117.486 120.346 -2.860 25638 5109 1 9 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.547 0.367 25638 5110 1 9 . 1 1 29 29 ASP C C 29 176.772 176.772 176.703 0.069 25638 5111 1 9 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.877 -2.751 25638 5112 1 9 . 1 1 29 29 ASP CB C 29 42.715 42.715 41.936 0.779 25638 5113 1 9 . 1 1 29 29 ASP H H 29 8.120 8.120 7.816 0.304 25638 5114 1 9 . 1 1 30 30 ARG N N 30 119.107 119.107 119.066 0.041 25638 5115 1 9 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.853 -0.092 25638 5116 1 9 . 1 1 30 30 ARG C C 30 173.824 173.824 173.871 -0.047 25638 5117 1 9 . 1 1 30 30 ARG CA C 30 53.231 53.231 52.775 0.456 25638 5118 1 9 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.988 -0.677 25638 5119 1 9 . 1 1 30 30 ARG H H 30 7.701 7.701 8.256 -0.555 25638 5120 1 9 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.631 -0.365 25638 5121 1 9 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.362 0.583 25638 5122 1 9 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.352 -0.338 25638 5123 1 9 . 1 1 32 32 GLU N N 32 122.391 122.391 121.653 0.738 25638 5124 1 9 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.263 -0.075 25638 5125 1 9 . 1 1 32 32 GLU C C 32 177.401 177.401 175.932 1.469 25638 5126 1 9 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.604 -0.215 25638 5127 1 9 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.524 -0.336 25638 5128 1 9 . 1 1 32 32 GLU H H 32 8.454 8.454 8.511 -0.057 25638 5129 1 9 . 1 1 33 33 LYS N N 33 123.127 123.127 119.474 3.653 25638 5130 1 9 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.754 -0.578 25638 5131 1 9 . 1 1 33 33 LYS C C 33 178.482 178.482 177.828 0.654 25638 5132 1 9 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.136 0.991 25638 5133 1 9 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.228 -0.588 25638 5134 1 9 . 1 1 33 33 LYS H H 33 8.338 8.338 8.499 -0.161 25638 5135 1 9 . 1 1 34 34 GLY N N 34 109.507 109.507 110.247 -0.740 25638 5136 1 9 . 1 1 34 34 GLY C C 34 175.475 175.475 173.725 1.750 25638 5137 1 9 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.470 -0.152 25638 5138 1 9 . 1 1 34 34 GLY H H 34 8.643 8.643 8.614 0.029 25638 5139 1 9 . 1 1 35 35 LEU N N 35 120.392 120.392 120.809 -0.417 25638 5140 1 9 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.690 -0.175 25638 5141 1 9 . 1 1 35 35 LEU C C 35 178.797 178.797 175.997 2.800 25638 5142 1 9 . 1 1 35 35 LEU CA C 35 54.449 54.449 52.549 1.900 25638 5143 1 9 . 1 1 35 35 LEU CB C 35 43.116 43.116 44.978 -1.862 25638 5144 1 9 . 1 1 35 35 LEU H H 35 7.480 7.480 7.364 0.116 25638 5145 1 9 . 1 1 36 36 SER N N 36 118.629 118.629 115.672 2.957 25638 5146 1 9 . 1 1 36 36 SER HA H 36 4.471 4.471 4.675 -0.204 25638 5147 1 9 . 1 1 36 36 SER C C 36 175.632 175.632 175.130 0.502 25638 5148 1 9 . 1 1 36 36 SER CA C 36 57.814 57.814 57.629 0.185 25638 5149 1 9 . 1 1 36 36 SER CB C 36 64.678 64.678 64.806 -0.128 25638 5150 1 9 . 1 1 36 36 SER H H 36 8.838 8.838 8.137 0.701 25638 5151 1 9 . 1 1 37 37 GLU N N 37 122.722 122.722 122.378 0.344 25638 5152 1 9 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.011 0.003 25638 5153 1 9 . 1 1 37 37 GLU C C 37 179.976 179.976 178.924 1.052 25638 5154 1 9 . 1 1 37 37 GLU CA C 37 60.578 60.578 60.532 0.046 25638 5155 1 9 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.509 -0.160 25638 5156 1 9 . 1 1 37 37 GLU H H 37 9.018 9.018 8.990 0.028 25638 5157 1 9 . 1 1 38 38 ARG N N 38 118.418 118.418 119.246 -0.828 25638 5158 1 9 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.114 -0.001 25638 5159 1 9 . 1 1 38 38 ARG C C 38 180.212 180.212 178.662 1.550 25638 5160 1 9 . 1 1 38 38 ARG CA C 38 59.448 59.448 59.047 0.401 25638 5161 1 9 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.094 -0.287 25638 5162 1 9 . 1 1 38 38 ARG H H 38 8.509 8.509 8.383 0.126 25638 5163 1 9 . 1 1 39 39 GLU N N 39 119.730 119.730 120.002 -0.272 25638 5164 1 9 . 1 1 39 39 GLU HA H 39 4.090 4.090 3.998 0.092 25638 5165 1 9 . 1 1 39 39 GLU C C 39 180.529 180.529 179.212 1.317 25638 5166 1 9 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.702 -0.809 25638 5167 1 9 . 1 1 39 39 GLU CB C 39 30.557 30.557 29.112 1.445 25638 5168 1 9 . 1 1 39 39 GLU H H 39 7.761 7.761 7.834 -0.073 25638 5169 1 9 . 1 1 40 40 GLN N N 40 121.665 121.665 118.949 2.716 25638 5170 1 9 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.084 -0.040 25638 5171 1 9 . 1 1 40 40 GLN C C 40 179.760 179.760 178.658 1.102 25638 5172 1 9 . 1 1 40 40 GLN CA C 40 59.370 59.370 59.078 0.292 25638 5173 1 9 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.639 -0.151 25638 5174 1 9 . 1 1 40 40 GLN H H 40 8.871 8.871 8.509 0.362 25638 5175 1 9 . 1 1 41 41 LEU N N 41 121.002 121.002 120.981 0.021 25638 5176 1 9 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.035 0.192 25638 5177 1 9 . 1 1 41 41 LEU C C 41 180.841 180.841 179.201 1.640 25638 5178 1 9 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.078 0.213 25638 5179 1 9 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.322 0.279 25638 5180 1 9 . 1 1 41 41 LEU H H 41 8.140 8.140 8.436 -0.296 25638 5181 1 9 . 1 1 42 42 GLU N N 42 119.818 119.818 117.731 2.087 25638 5182 1 9 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.968 0.266 25638 5183 1 9 . 1 1 42 42 GLU C C 42 179.603 179.603 178.863 0.740 25638 5184 1 9 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.912 -1.002 25638 5185 1 9 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.698 -0.731 25638 5186 1 9 . 1 1 42 42 GLU H H 42 7.894 7.894 8.546 -0.652 25638 5187 1 9 . 1 1 43 43 HIS N N 43 119.964 119.964 119.827 0.137 25638 5188 1 9 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.256 0.165 25638 5189 1 9 . 1 1 43 43 HIS C C 43 179.140 179.140 177.701 1.439 25638 5190 1 9 . 1 1 43 43 HIS CA C 43 59.813 59.813 59.102 0.711 25638 5191 1 9 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.240 -0.796 25638 5192 1 9 . 1 1 43 43 HIS H H 43 8.437 8.437 8.630 -0.193 25638 5193 1 9 . 1 1 44 44 THR N N 44 117.768 117.768 115.735 2.033 25638 5194 1 9 . 1 1 44 44 THR HA H 44 3.884 3.884 3.963 -0.079 25638 5195 1 9 . 1 1 44 44 THR C C 44 179.008 179.008 176.978 2.030 25638 5196 1 9 . 1 1 44 44 THR CA C 44 67.603 67.603 67.223 0.380 25638 5197 1 9 . 1 1 44 44 THR CB C 44 68.981 68.981 68.252 0.729 25638 5198 1 9 . 1 1 44 44 THR H H 44 8.589 8.589 8.261 0.328 25638 5199 1 9 . 1 1 45 45 ARG N N 45 121.750 121.750 121.680 0.070 25638 5200 1 9 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.160 -0.281 25638 5201 1 9 . 1 1 45 45 ARG C C 45 178.817 178.817 178.943 -0.126 25638 5202 1 9 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.339 1.520 25638 5203 1 9 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.629 1.087 25638 5204 1 9 . 1 1 45 45 ARG H H 45 8.255 8.255 7.811 0.444 25638 5205 1 9 . 1 1 46 46 GLN N N 46 116.576 116.576 119.826 -3.250 25638 5206 1 9 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.139 -0.115 25638 5207 1 9 . 1 1 46 46 GLN C C 46 181.018 181.018 178.552 2.466 25638 5208 1 9 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.931 0.644 25638 5209 1 9 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.437 -0.682 25638 5210 1 9 . 1 1 46 46 GLN H H 46 8.328 8.328 8.672 -0.344 25638 5211 1 9 . 1 1 47 47 CYS N N 47 118.569 118.569 119.021 -0.452 25638 5212 1 9 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.135 -0.052 25638 5213 1 9 . 1 1 47 47 CYS C C 47 177.244 177.244 177.219 0.025 25638 5214 1 9 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.519 0.585 25638 5215 1 9 . 1 1 47 47 CYS CB C 47 27.063 27.063 26.469 0.594 25638 5216 1 9 . 1 1 47 47 CYS H H 47 8.029 8.029 8.863 -0.834 25638 5217 1 9 . 1 1 48 48 LEU N N 48 119.873 119.873 122.236 -2.363 25638 5218 1 9 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.085 -0.016 25638 5219 1 9 . 1 1 48 48 LEU C C 48 179.839 179.839 178.786 1.053 25638 5220 1 9 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.398 -0.085 25638 5221 1 9 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.902 0.323 25638 5222 1 9 . 1 1 48 48 LEU H H 48 8.539 8.539 8.298 0.241 25638 5223 1 9 . 1 1 49 49 ILE N N 49 119.523 119.523 115.884 3.639 25638 5224 1 9 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.082 -0.112 25638 5225 1 9 . 1 1 49 49 ILE C C 49 178.188 178.188 177.886 0.302 25638 5226 1 9 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.297 0.914 25638 5227 1 9 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.486 0.509 25638 5228 1 9 . 1 1 49 49 ILE H H 49 8.516 8.516 8.553 -0.037 25638 5229 1 9 . 1 1 50 50 LYS N N 50 118.622 118.622 120.278 -1.656 25638 5230 1 9 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.176 0.017 25638 5231 1 9 . 1 1 50 50 LYS C C 50 181.391 181.391 179.302 2.089 25638 5232 1 9 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.642 -0.095 25638 5233 1 9 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.109 0.481 25638 5234 1 9 . 1 1 50 50 LYS H H 50 7.522 7.522 8.208 -0.686 25638 5235 1 9 . 1 1 51 51 ILE N N 51 119.288 119.288 120.777 -1.489 25638 5236 1 9 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.606 -0.157 25638 5237 1 9 . 1 1 51 51 ILE C C 51 178.384 178.384 177.680 0.704 25638 5238 1 9 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.801 -0.034 25638 5239 1 9 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.859 1.121 25638 5240 1 9 . 1 1 51 51 ILE H H 51 8.107 8.107 8.432 -0.325 25638 5241 1 9 . 1 1 52 52 GLY N N 52 108.211 108.211 106.546 1.665 25638 5242 1 9 . 1 1 52 52 GLY C C 52 178.168 178.168 174.908 3.260 25638 5243 1 9 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.510 0.555 25638 5244 1 9 . 1 1 52 52 GLY H H 52 9.224 9.224 8.054 1.170 25638 5245 1 9 . 1 1 53 53 ASP N N 53 124.013 124.013 122.891 1.122 25638 5246 1 9 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.371 0.163 25638 5247 1 9 . 1 1 53 53 ASP C C 53 179.976 179.976 178.081 1.895 25638 5248 1 9 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.565 0.063 25638 5249 1 9 . 1 1 53 53 ASP CB C 53 39.282 39.282 41.169 -1.887 25638 5250 1 9 . 1 1 53 53 ASP H H 53 9.091 9.091 8.279 0.812 25638 5251 1 9 . 1 1 54 54 HIS N N 54 121.598 121.598 118.435 3.163 25638 5252 1 9 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.241 0.165 25638 5253 1 9 . 1 1 54 54 HIS C C 54 178.982 178.982 177.930 1.052 25638 5254 1 9 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.969 0.491 25638 5255 1 9 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.693 1.874 25638 5256 1 9 . 1 1 54 54 HIS H H 54 7.664 7.664 7.904 -0.240 25638 5257 1 9 . 1 1 55 55 ILE N N 55 121.892 121.892 121.318 0.574 25638 5258 1 9 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.454 -0.270 25638 5259 1 9 . 1 1 55 55 ILE C C 55 178.188 178.188 177.644 0.544 25638 5260 1 9 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.751 1.926 25638 5261 1 9 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.480 -0.236 25638 5262 1 9 . 1 1 55 55 ILE H H 55 8.255 8.255 8.296 -0.041 25638 5263 1 9 . 1 1 56 56 THR N N 56 115.458 115.458 116.233 -0.775 25638 5264 1 9 . 1 1 56 56 THR HA H 56 3.759 3.759 3.852 -0.093 25638 5265 1 9 . 1 1 56 56 THR C C 56 180.195 180.195 176.969 3.226 25638 5266 1 9 . 1 1 56 56 THR CA C 56 67.551 67.551 66.943 0.608 25638 5267 1 9 . 1 1 56 56 THR CB C 56 68.756 68.756 68.608 0.148 25638 5268 1 9 . 1 1 56 56 THR H H 56 8.047 8.047 7.759 0.288 25638 5269 1 9 . 1 1 57 57 GLU N N 57 121.544 121.544 120.984 0.560 25638 5270 1 9 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.023 -0.069 25638 5271 1 9 . 1 1 57 57 GLU C C 57 180.979 180.979 178.654 2.325 25638 5272 1 9 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.470 -0.091 25638 5273 1 9 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.206 -0.466 25638 5274 1 9 . 1 1 57 57 GLU H H 57 7.591 7.591 8.550 -0.959 25638 5275 1 9 . 1 1 58 58 CYS N N 58 118.970 118.970 117.487 1.483 25638 5276 1 9 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.026 -0.086 25638 5277 1 9 . 1 1 58 58 CYS C C 58 178.089 178.089 177.227 0.862 25638 5278 1 9 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.537 0.685 25638 5279 1 9 . 1 1 58 58 CYS CB C 58 26.562 26.562 27.006 -0.444 25638 5280 1 9 . 1 1 58 58 CYS H H 58 8.206 8.206 7.499 0.707 25638 5281 1 9 . 1 1 59 59 LEU N N 59 116.873 116.873 120.597 -3.724 25638 5282 1 9 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.065 0.186 25638 5283 1 9 . 1 1 59 59 LEU C C 59 179.033 179.033 178.905 0.128 25638 5284 1 9 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.446 -1.407 25638 5285 1 9 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.569 -0.532 25638 5286 1 9 . 1 1 59 59 LEU H H 59 7.726 7.726 8.177 -0.451 25638 5287 1 9 . 1 1 60 60 LYS N N 60 117.911 117.911 118.267 -0.356 25638 5288 1 9 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.003 0.128 25638 5289 1 9 . 1 1 60 60 LYS C C 60 177.912 177.912 177.352 0.560 25638 5290 1 9 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.852 -0.315 25638 5291 1 9 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.874 0.516 25638 5292 1 9 . 1 1 60 60 LYS H H 60 7.298 7.298 7.865 -0.567 25638 5293 1 9 . 1 1 61 61 GLU N N 61 115.507 115.507 117.077 -1.570 25638 5294 1 9 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.930 -0.041 25638 5295 1 9 . 1 1 61 61 GLU C C 61 176.576 176.576 176.871 -0.295 25638 5296 1 9 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.687 -0.636 25638 5297 1 9 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.720 0.014 25638 5298 1 9 . 1 1 61 61 GLU H H 61 7.084 7.084 7.352 -0.268 25638 5299 1 9 . 1 1 62 62 TYR N N 62 118.581 118.581 118.069 0.512 25638 5300 1 9 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.463 0.243 25638 5301 1 9 . 1 1 62 62 TYR C C 62 175.935 175.935 176.190 -0.255 25638 5302 1 9 . 1 1 62 62 TYR CA C 62 57.147 57.147 58.361 -1.214 25638 5303 1 9 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.927 1.458 25638 5304 1 9 . 1 1 62 62 TYR H H 62 7.387 7.387 7.224 0.163 25638 5305 1 9 . 1 1 63 63 THR N N 63 109.064 109.064 112.367 -3.303 25638 5306 1 9 . 1 1 63 63 THR HA H 63 4.507 4.507 4.329 0.178 25638 5307 1 9 . 1 1 63 63 THR C C 63 175.888 175.888 175.200 0.688 25638 5308 1 9 . 1 1 63 63 THR CA C 63 61.684 61.684 62.109 -0.425 25638 5309 1 9 . 1 1 63 63 THR CB C 63 70.092 70.092 69.868 0.224 25638 5310 1 9 . 1 1 63 63 THR H H 63 8.471 8.471 8.306 0.165 25638 5311 1 9 . 1 1 64 64 ASN N N 64 123.204 123.204 121.289 1.915 25638 5312 1 9 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.943 0.228 25638 5313 1 9 . 1 1 64 64 ASN C C 64 175.495 175.495 175.680 -0.185 25638 5314 1 9 . 1 1 64 64 ASN CA C 64 51.137 51.137 51.843 -0.706 25638 5315 1 9 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.973 0.707 25638 5316 1 9 . 1 1 64 64 ASN H H 64 7.993 7.993 8.285 -0.292 25638 5317 1 9 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.368 -0.098 25638 5318 1 9 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.443 0.249 25638 5319 1 9 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.133 0.266 25638 5320 1 9 . 1 1 66 66 GLU N N 66 118.060 118.060 118.852 -0.792 25638 5321 1 9 . 1 1 66 66 GLU HA H 66 4.132 4.132 3.903 0.229 25638 5322 1 9 . 1 1 66 66 GLU C C 66 180.409 180.409 178.569 1.840 25638 5323 1 9 . 1 1 66 66 GLU CA C 66 59.374 59.374 60.516 -1.142 25638 5324 1 9 . 1 1 66 66 GLU CB C 66 28.803 28.803 29.059 -0.256 25638 5325 1 9 . 1 1 66 66 GLU H H 66 8.297 8.297 8.751 -0.454 25638 5326 1 9 . 1 1 67 67 GLN N N 67 120.531 120.531 118.585 1.946 25638 5327 1 9 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.973 0.194 25638 5328 1 9 . 1 1 67 67 GLN C C 67 179.072 179.072 178.781 0.291 25638 5329 1 9 . 1 1 67 67 GLN CA C 67 58.828 58.828 58.901 -0.073 25638 5330 1 9 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.616 0.627 25638 5331 1 9 . 1 1 67 67 GLN H H 67 7.738 7.738 7.671 0.067 25638 5332 1 9 . 1 1 68 68 ILE N N 68 119.632 119.632 118.098 1.534 25638 5333 1 9 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.847 -0.299 25638 5334 1 9 . 1 1 68 68 ILE C C 68 178.109 178.109 177.867 0.242 25638 5335 1 9 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.269 1.328 25638 5336 1 9 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.409 1.530 25638 5337 1 9 . 1 1 68 68 ILE H H 68 7.956 7.956 8.221 -0.265 25638 5338 1 9 . 1 1 69 69 LYS N N 69 117.236 117.236 120.094 -2.858 25638 5339 1 9 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.910 0.019 25638 5340 1 9 . 1 1 69 69 LYS C C 69 180.271 180.271 178.928 1.343 25638 5341 1 9 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.234 0.687 25638 5342 1 9 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.080 0.527 25638 5343 1 9 . 1 1 69 69 LYS H H 69 7.665 7.665 7.889 -0.224 25638 5344 1 9 . 1 1 70 70 GLN N N 70 118.748 118.748 118.995 -0.247 25638 5345 1 9 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.031 -0.176 25638 5346 1 9 . 1 1 70 70 GLN C C 70 179.131 179.131 178.218 0.913 25638 5347 1 9 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.774 -0.522 25638 5348 1 9 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.231 0.446 25638 5349 1 9 . 1 1 70 70 GLN H H 70 7.787 7.787 8.021 -0.234 25638 5350 1 9 . 1 1 71 71 TRP N N 71 118.896 118.896 120.277 -1.381 25638 5351 1 9 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.208 -0.165 25638 5352 1 9 . 1 1 71 71 TRP C C 71 178.679 178.679 178.681 -0.002 25638 5353 1 9 . 1 1 71 71 TRP CA C 71 61.949 61.949 59.736 2.213 25638 5354 1 9 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.232 -0.988 25638 5355 1 9 . 1 1 71 71 TRP H H 71 8.374 8.374 8.450 -0.076 25638 5356 1 9 . 1 1 72 72 ARG N N 72 122.698 122.698 119.075 3.623 25638 5357 1 9 . 1 1 72 72 ARG HA H 72 3.819 3.819 4.182 -0.363 25638 5358 1 9 . 1 1 72 72 ARG C C 72 178.561 178.561 177.253 1.308 25638 5359 1 9 . 1 1 72 72 ARG CA C 72 61.032 61.032 58.292 2.740 25638 5360 1 9 . 1 1 72 72 ARG CB C 72 30.269 30.269 29.783 0.486 25638 5361 1 9 . 1 1 72 72 ARG H H 72 8.808 8.808 8.362 0.446 25638 5362 1 9 . 1 1 73 73 LYS N N 73 116.946 116.946 118.587 -1.641 25638 5363 1 9 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.467 -0.287 25638 5364 1 9 . 1 1 73 73 LYS C C 73 179.622 179.622 178.620 1.002 25638 5365 1 9 . 1 1 73 73 LYS CA C 73 59.535 59.535 58.841 0.694 25638 5366 1 9 . 1 1 73 73 LYS CB C 73 31.715 31.715 33.011 -1.296 25638 5367 1 9 . 1 1 73 73 LYS H H 73 7.380 7.380 7.825 -0.445 25638 5368 1 9 . 1 1 74 74 ASN N N 74 116.434 116.434 120.446 -4.012 25638 5369 1 9 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.473 -0.196 25638 5370 1 9 . 1 1 74 74 ASN C C 74 178.148 178.148 177.846 0.302 25638 5371 1 9 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.063 -0.200 25638 5372 1 9 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.121 -0.087 25638 5373 1 9 . 1 1 74 74 ASN H H 74 8.309 8.309 8.443 -0.134 25638 5374 1 9 . 1 1 75 75 LEU N N 75 118.967 118.967 121.358 -2.391 25638 5375 1 9 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.111 0.014 25638 5376 1 9 . 1 1 75 75 LEU C C 75 180.251 180.251 178.627 1.624 25638 5377 1 9 . 1 1 75 75 LEU CA C 75 58.827 58.827 59.364 -0.537 25638 5378 1 9 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.482 -0.498 25638 5379 1 9 . 1 1 75 75 LEU H H 75 8.635 8.635 8.580 0.055 25638 5380 1 9 . 1 1 76 76 TRP N N 76 118.544 118.544 119.001 -0.457 25638 5381 1 9 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.286 0.293 25638 5382 1 9 . 1 1 76 76 TRP C C 76 180.900 180.900 179.211 1.689 25638 5383 1 9 . 1 1 76 76 TRP CA C 76 61.416 61.416 59.999 1.417 25638 5384 1 9 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.453 -0.355 25638 5385 1 9 . 1 1 76 76 TRP H H 76 8.006 8.006 7.874 0.132 25638 5386 1 9 . 1 1 77 77 ILE N N 77 121.982 121.982 119.029 2.953 25638 5387 1 9 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.813 0.018 25638 5388 1 9 . 1 1 77 77 ILE C C 77 181.254 181.254 178.569 2.685 25638 5389 1 9 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.105 0.937 25638 5390 1 9 . 1 1 77 77 ILE CB C 77 37.350 37.350 37.935 -0.585 25638 5391 1 9 . 1 1 77 77 ILE H H 77 8.893 8.893 8.559 0.334 25638 5392 1 9 . 1 1 78 78 PHE N N 78 123.458 123.458 123.216 0.242 25638 5393 1 9 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.051 -0.007 25638 5394 1 9 . 1 1 78 78 PHE C C 78 177.618 177.618 177.213 0.405 25638 5395 1 9 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.497 1.583 25638 5396 1 9 . 1 1 78 78 PHE CB C 78 38.710 38.710 38.775 -0.065 25638 5397 1 9 . 1 1 78 78 PHE H H 78 8.753 8.753 8.348 0.405 25638 5398 1 9 . 1 1 79 79 VAL N N 79 117.726 117.726 119.422 -1.696 25638 5399 1 9 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.484 -0.005 25638 5400 1 9 . 1 1 79 79 VAL C C 79 178.876 178.876 178.383 0.493 25638 5401 1 9 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.124 0.689 25638 5402 1 9 . 1 1 79 79 VAL CB C 79 31.572 31.572 30.733 0.839 25638 5403 1 9 . 1 1 79 79 VAL H H 79 8.232 8.232 8.367 -0.135 25638 5404 1 9 . 1 1 80 80 SER N N 80 114.568 114.568 114.021 0.547 25638 5405 1 9 . 1 1 80 80 SER HA H 80 4.339 4.339 4.354 -0.015 25638 5406 1 9 . 1 1 80 80 SER C C 80 176.261 176.261 176.009 0.252 25638 5407 1 9 . 1 1 80 80 SER CA C 80 61.337 61.337 60.476 0.861 25638 5408 1 9 . 1 1 80 80 SER CB C 80 62.712 62.712 62.636 0.076 25638 5409 1 9 . 1 1 80 80 SER H H 80 8.353 8.353 8.221 0.132 25638 5410 1 9 . 1 1 81 81 LYS N N 81 121.180 121.180 121.707 -0.527 25638 5411 1 9 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.153 0.045 25638 5412 1 9 . 1 1 81 81 LYS C C 81 178.305 178.305 178.358 -0.053 25638 5413 1 9 . 1 1 81 81 LYS CA C 81 57.104 57.104 57.878 -0.774 25638 5414 1 9 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.738 -2.079 25638 5415 1 9 . 1 1 81 81 LYS H H 81 7.481 7.481 7.484 -0.003 25638 5416 1 9 . 1 1 82 82 PHE N N 82 117.950 117.950 119.514 -1.564 25638 5417 1 9 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.643 -0.246 25638 5418 1 9 . 1 1 82 82 PHE C C 82 174.787 174.787 174.931 -0.144 25638 5419 1 9 . 1 1 82 82 PHE CA C 82 58.398 58.398 57.789 0.609 25638 5420 1 9 . 1 1 82 82 PHE CB C 82 38.937 38.937 37.475 1.462 25638 5421 1 9 . 1 1 82 82 PHE H H 82 8.256 8.256 7.991 0.265 25638 5422 1 9 . 1 1 83 83 THR N N 83 109.995 109.995 111.394 -1.399 25638 5423 1 9 . 1 1 83 83 THR HA H 83 4.988 4.988 4.790 0.198 25638 5424 1 9 . 1 1 83 83 THR C C 83 174.138 174.138 173.632 0.506 25638 5425 1 9 . 1 1 83 83 THR CA C 83 59.609 59.609 60.015 -0.406 25638 5426 1 9 . 1 1 83 83 THR CB C 83 71.080 71.080 70.450 0.630 25638 5427 1 9 . 1 1 83 83 THR H H 83 7.665 7.665 7.382 0.283 25638 5428 1 9 . 1 1 84 84 GLU N N 84 119.416 119.416 120.896 -1.480 25638 5429 1 9 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.336 0.059 25638 5430 1 9 . 1 1 84 84 GLU C C 84 177.912 177.912 176.417 1.495 25638 5431 1 9 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.538 -1.042 25638 5432 1 9 . 1 1 84 84 GLU CB C 84 29.522 29.522 30.105 -0.583 25638 5433 1 9 . 1 1 84 84 GLU H H 84 8.409 8.409 8.804 -0.395 25638 5434 1 9 . 1 1 85 85 PHE N N 85 120.265 120.265 120.769 -0.504 25638 5435 1 9 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.506 0.385 25638 5436 1 9 . 1 1 85 85 PHE C C 85 175.809 175.809 174.988 0.821 25638 5437 1 9 . 1 1 85 85 PHE CA C 85 56.109 56.109 57.911 -1.802 25638 5438 1 9 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.490 1.698 25638 5439 1 9 . 1 1 85 85 PHE H H 85 8.210 8.210 7.916 0.294 25638 5440 1 9 . 1 1 86 86 ASP N N 86 118.128 118.128 124.273 -6.145 25638 5441 1 9 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.576 0.160 25638 5442 1 9 . 1 1 86 86 ASP C C 86 176.986 176.986 177.509 -0.523 25638 5443 1 9 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.672 -2.489 25638 5444 1 9 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.428 0.105 25638 5445 1 9 . 1 1 86 86 ASP H H 86 8.119 8.119 8.695 -0.576 25638 5446 1 9 . 1 1 87 87 ALA N N 87 121.912 121.912 124.906 -2.994 25638 5447 1 9 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.011 -0.022 25638 5448 1 9 . 1 1 87 87 ALA C C 87 180.378 180.378 179.347 1.031 25638 5449 1 9 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.434 0.641 25638 5450 1 9 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.930 1.278 25638 5451 1 9 . 1 1 87 87 ALA H H 87 8.757 8.757 8.362 0.395 25638 5452 1 9 . 1 1 88 88 ARG N N 88 117.072 117.072 116.414 0.658 25638 5453 1 9 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.060 -0.104 25638 5454 1 9 . 1 1 88 88 ARG C C 88 179.975 179.975 178.031 1.944 25638 5455 1 9 . 1 1 88 88 ARG CA C 88 59.252 59.252 58.727 0.524 25638 5456 1 9 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.967 -0.354 25638 5457 1 9 . 1 1 88 88 ARG H H 88 8.147 8.147 8.623 -0.476 25638 5458 1 9 . 1 1 89 89 LYS N N 89 121.809 121.809 119.654 2.155 25638 5459 1 9 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.121 -0.212 25638 5460 1 9 . 1 1 89 89 LYS C C 89 179.505 179.505 178.828 0.677 25638 5461 1 9 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.246 0.740 25638 5462 1 9 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.363 -0.029 25638 5463 1 9 . 1 1 89 89 LYS H H 89 8.022 8.022 7.773 0.249 25638 5464 1 9 . 1 1 90 90 LEU N N 90 118.429 118.429 120.792 -2.363 25638 5465 1 9 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.747 -0.003 25638 5466 1 9 . 1 1 90 90 LEU C C 90 178.069 178.069 177.839 0.230 25638 5467 1 9 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.220 -0.177 25638 5468 1 9 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.739 0.723 25638 5469 1 9 . 1 1 90 90 LEU H H 90 8.139 8.139 8.789 -0.650 25638 5470 1 9 . 1 1 91 91 HIS N N 91 117.214 117.214 117.271 -0.057 25638 5471 1 9 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.596 0.383 25638 5472 1 9 . 1 1 91 91 HIS C C 91 178.069 178.069 177.238 0.831 25638 5473 1 9 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.385 -0.207 25638 5474 1 9 . 1 1 91 91 HIS CB C 91 29.428 29.428 28.887 0.541 25638 5475 1 9 . 1 1 91 91 HIS H H 91 7.379 7.379 7.358 0.021 25638 5476 1 9 . 1 1 92 92 LYS N N 92 118.466 118.466 119.108 -0.642 25638 5477 1 9 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.853 -0.218 25638 5478 1 9 . 1 1 92 92 LYS C C 92 180.310 180.310 178.961 1.349 25638 5479 1 9 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.104 0.820 25638 5480 1 9 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.270 0.095 25638 5481 1 9 . 1 1 92 92 LYS H H 92 7.599 7.599 7.562 0.037 25638 5482 1 9 . 1 1 93 93 LEU N N 93 120.752 120.752 122.194 -1.442 25638 5483 1 9 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.825 0.158 25638 5484 1 9 . 1 1 93 93 LEU C C 93 181.269 181.269 178.366 2.903 25638 5485 1 9 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.348 -0.348 25638 5486 1 9 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.648 0.691 25638 5487 1 9 . 1 1 93 93 LEU H H 93 8.351 8.351 8.144 0.207 25638 5488 1 9 . 1 1 94 94 TYR N N 94 122.311 122.311 119.730 2.581 25638 5489 1 9 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.052 0.084 25638 5490 1 9 . 1 1 94 94 TYR C C 94 176.789 176.789 177.501 -0.712 25638 5491 1 9 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.344 -0.044 25638 5492 1 9 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.390 0.188 25638 5493 1 9 . 1 1 94 94 TYR H H 94 8.290 8.290 8.778 -0.488 25638 5494 1 9 . 1 1 95 95 LYS N N 95 117.851 117.851 118.842 -0.991 25638 5495 1 9 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.532 -0.106 25638 5496 1 9 . 1 1 95 95 LYS C C 95 180.684 180.684 178.633 2.051 25638 5497 1 9 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.618 -0.239 25638 5498 1 9 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.151 -0.903 25638 5499 1 9 . 1 1 95 95 LYS H H 95 8.180 8.180 7.969 0.211 25638 5500 1 9 . 1 1 96 96 HIS N N 96 117.611 117.611 118.707 -1.096 25638 5501 1 9 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.212 0.001 25638 5502 1 9 . 1 1 96 96 HIS C C 96 178.266 178.266 176.982 1.284 25638 5503 1 9 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.872 -0.598 25638 5504 1 9 . 1 1 96 96 HIS CB C 96 30.203 30.203 30.059 0.144 25638 5505 1 9 . 1 1 96 96 HIS H H 96 8.049 8.049 8.025 0.024 25638 5506 1 9 . 1 1 97 97 ALA N N 97 122.617 122.617 120.974 1.643 25638 5507 1 9 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.174 -0.083 25638 5508 1 9 . 1 1 97 97 ALA C C 97 181.352 181.352 179.748 1.604 25638 5509 1 9 . 1 1 97 97 ALA CA C 97 54.645 54.645 54.622 0.023 25638 5510 1 9 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.388 -0.619 25638 5511 1 9 . 1 1 97 97 ALA H H 97 8.104 8.104 8.005 0.099 25638 5512 1 9 . 1 1 98 98 ILE N N 98 111.626 111.626 118.826 -7.200 25638 5513 1 9 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.729 0.380 25638 5514 1 9 . 1 1 98 98 ILE C C 98 178.561 178.561 176.989 1.572 25638 5515 1 9 . 1 1 98 98 ILE CA C 98 62.730 62.730 63.164 -0.434 25638 5516 1 9 . 1 1 98 98 ILE CB C 98 37.646 37.646 38.385 -0.739 25638 5517 1 9 . 1 1 98 98 ILE H H 98 7.636 7.636 7.921 -0.285 25638 5518 1 9 . 1 1 99 99 LYS N N 99 124.158 124.158 119.826 4.332 25638 5519 1 9 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.831 0.214 25638 5520 1 9 . 1 1 99 99 LYS C C 99 179.111 179.111 179.506 -0.395 25638 5521 1 9 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.419 -0.349 25638 5522 1 9 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.057 0.115 25638 5523 1 9 . 1 1 99 99 LYS H H 99 7.359 7.359 8.113 -0.754 25638 5524 1 9 . 1 1 100 100 LYS N N 100 118.333 118.333 117.381 0.952 25638 5525 1 9 . 1 1 100 100 LYS HA H 100 4.143 4.143 3.864 0.279 25638 5526 1 9 . 1 1 100 100 LYS C C 100 179.111 179.111 178.370 0.741 25638 5527 1 9 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.849 -1.637 25638 5528 1 9 . 1 1 100 100 LYS CB C 100 31.742 31.742 31.884 -0.142 25638 5529 1 9 . 1 1 100 100 LYS H H 100 7.937 7.937 7.978 -0.041 25638 5530 1 9 . 1 1 101 101 ARG N N 101 121.125 121.125 118.505 2.620 25638 5531 1 9 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.226 -0.097 25638 5532 1 9 . 1 1 101 101 ARG C C 101 178.541 178.541 177.226 1.315 25638 5533 1 9 . 1 1 101 101 ARG CA C 101 58.166 58.166 57.008 1.158 25638 5534 1 9 . 1 1 101 101 ARG CB C 101 30.591 30.591 29.977 0.614 25638 5535 1 9 . 1 1 101 101 ARG H H 101 7.895 7.895 7.865 0.030 25638 5536 1 9 . 1 1 102 102 GLN N N 102 119.756 119.756 118.059 1.697 25638 5537 1 9 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.290 -0.083 25638 5538 1 9 . 1 1 102 102 GLN C C 102 178.129 178.129 174.708 3.421 25638 5539 1 9 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.687 1.225 25638 5540 1 9 . 1 1 102 102 GLN CB C 102 28.921 28.921 29.946 -1.025 25638 5541 1 9 . 1 1 102 102 GLN H H 102 8.167 8.167 7.331 0.836 25638 5542 1 9 . 1 1 103 103 GLU N N 103 120.553 120.553 120.131 0.422 25638 5543 1 9 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.228 -0.028 25638 5544 1 9 . 1 1 103 103 GLU C C 103 178.286 178.286 175.988 2.298 25638 5545 1 9 . 1 1 103 103 GLU CA C 103 57.505 57.505 57.032 0.473 25638 5546 1 9 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.990 -0.066 25638 5547 1 9 . 1 1 103 103 GLU H H 103 8.189 8.189 8.556 -0.367 25638 5548 1 9 . 1 1 104 104 SER N N 104 115.381 115.381 119.788 -4.407 25638 5549 1 9 . 1 1 104 104 SER HA H 104 4.431 4.431 4.586 -0.155 25638 5550 1 9 . 1 1 104 104 SER C C 104 175.750 175.750 174.181 1.569 25638 5551 1 9 . 1 1 104 104 SER CA C 104 59.154 59.154 57.776 1.378 25638 5552 1 9 . 1 1 104 104 SER CB C 104 63.456 63.456 63.927 -0.471 25638 5553 1 9 . 1 1 104 104 SER H H 104 8.099 8.099 8.411 -0.312 25638 5554 1 9 . 1 1 105 105 GLN N N 105 121.635 121.635 124.775 -3.140 25638 5555 1 9 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.163 0.172 25638 5556 1 9 . 1 1 105 105 GLN C C 105 177.008 177.008 174.815 2.193 25638 5557 1 9 . 1 1 105 105 GLN CA C 105 56.053 56.053 56.724 -0.671 25638 5558 1 9 . 1 1 105 105 GLN CB C 105 29.128 29.128 29.296 -0.168 25638 5559 1 9 . 1 1 105 105 GLN H H 105 8.170 8.170 8.367 -0.197 25638 5560 1 9 . 1 1 106 106 GLN N N 106 120.850 120.850 119.075 1.775 25638 5561 1 9 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.384 -0.053 25638 5562 1 9 . 1 1 106 106 GLN C C 106 176.713 176.713 174.712 2.001 25638 5563 1 9 . 1 1 106 106 GLN CA C 106 55.951 55.951 54.769 1.182 25638 5564 1 9 . 1 1 106 106 GLN CB C 106 29.254 29.254 30.348 -1.094 25638 5565 1 9 . 1 1 106 106 GLN H H 106 8.281 8.281 8.368 -0.087 25638 5566 1 9 . 1 1 107 107 ASN N N 107 120.271 120.271 119.991 0.280 25638 5567 1 9 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.712 0.078 25638 5568 1 9 . 1 1 107 107 ASN C C 107 175.337 175.337 175.378 -0.041 25638 5569 1 9 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.449 -0.096 25638 5570 1 9 . 1 1 107 107 ASN CB C 107 39.094 39.094 37.980 1.114 25638 5571 1 9 . 1 1 107 107 ASN H H 107 8.434 8.434 8.401 0.033 25638 5572 1 10 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.587 -0.142 25638 5573 1 10 . 1 1 2 2 PRO C C 2 178.089 178.089 176.550 1.539 25638 5574 1 10 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.396 0.910 25638 5575 1 10 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.410 0.057 25638 5576 1 10 . 1 1 3 3 LEU N N 3 122.239 122.239 117.675 4.564 25638 5577 1 10 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.008 0.289 25638 5578 1 10 . 1 1 3 3 LEU C C 3 178.876 178.876 176.259 2.617 25638 5579 1 10 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.965 0.564 25638 5580 1 10 . 1 1 3 3 LEU CB C 3 42.150 42.150 40.309 1.841 25638 5581 1 10 . 1 1 3 3 LEU H H 3 8.522 8.522 8.594 -0.072 25638 5582 1 10 . 1 1 4 4 GLY N N 4 109.572 109.572 109.481 0.091 25638 5583 1 10 . 1 1 4 4 GLY C C 4 174.630 174.630 173.131 1.499 25638 5584 1 10 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.630 0.703 25638 5585 1 10 . 1 1 4 4 GLY H H 4 8.349 8.349 7.823 0.526 25638 5586 1 10 . 1 1 5 5 SER N N 5 115.481 115.481 113.497 1.984 25638 5587 1 10 . 1 1 5 5 SER HA H 5 4.513 4.513 4.208 0.305 25638 5588 1 10 . 1 1 5 5 SER C C 5 174.667 174.667 173.658 1.009 25638 5589 1 10 . 1 1 5 5 SER CA C 5 57.801 57.801 58.214 -0.413 25638 5590 1 10 . 1 1 5 5 SER CB C 5 64.536 64.536 63.567 0.969 25638 5591 1 10 . 1 1 5 5 SER H H 5 8.119 8.119 8.076 0.043 25638 5592 1 10 . 1 1 6 6 LEU N N 6 121.895 121.895 123.973 -2.078 25638 5593 1 10 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.304 0.350 25638 5594 1 10 . 1 1 6 6 LEU C C 6 177.932 177.932 176.437 1.495 25638 5595 1 10 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.546 -0.624 25638 5596 1 10 . 1 1 6 6 LEU CB C 6 44.606 44.606 41.099 3.507 25638 5597 1 10 . 1 1 6 6 LEU H H 6 8.319 8.319 8.281 0.038 25638 5598 1 10 . 1 1 7 7 ASP N N 7 121.978 121.978 125.035 -3.057 25638 5599 1 10 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.402 0.204 25638 5600 1 10 . 1 1 7 7 ASP C C 7 176.477 176.477 177.371 -0.894 25638 5601 1 10 . 1 1 7 7 ASP CA C 7 53.218 53.218 55.113 -1.895 25638 5602 1 10 . 1 1 7 7 ASP CB C 7 40.958 40.958 43.088 -2.130 25638 5603 1 10 . 1 1 7 7 ASP H H 7 8.318 8.318 8.017 0.301 25638 5604 1 10 . 1 1 8 8 GLN N N 8 119.885 119.885 122.113 -2.228 25638 5605 1 10 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.059 0.027 25638 5606 1 10 . 1 1 8 8 GLN C C 8 179.710 179.710 178.490 1.220 25638 5607 1 10 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.781 0.044 25638 5608 1 10 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.782 -0.298 25638 5609 1 10 . 1 1 8 8 GLN H H 8 8.746 8.746 8.848 -0.102 25638 5610 1 10 . 1 1 9 9 LYS N N 9 120.863 120.863 119.580 1.283 25638 5611 1 10 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.027 0.170 25638 5612 1 10 . 1 1 9 9 LYS C C 9 180.333 180.333 178.796 1.537 25638 5613 1 10 . 1 1 9 9 LYS CA C 9 59.374 59.374 60.226 -0.852 25638 5614 1 10 . 1 1 9 9 LYS CB C 9 31.957 31.957 32.035 -0.078 25638 5615 1 10 . 1 1 9 9 LYS H H 9 8.454 8.454 8.994 -0.540 25638 5616 1 10 . 1 1 10 10 THR N N 10 118.654 118.654 116.697 1.957 25638 5617 1 10 . 1 1 10 10 THR HA H 10 3.985 3.985 4.255 -0.270 25638 5618 1 10 . 1 1 10 10 THR C C 10 177.904 177.904 176.639 1.265 25638 5619 1 10 . 1 1 10 10 THR CA C 10 67.618 67.618 66.602 1.016 25638 5620 1 10 . 1 1 10 10 THR CB C 10 67.523 67.523 68.632 -1.109 25638 5621 1 10 . 1 1 10 10 THR H H 10 8.531 8.531 7.914 0.617 25638 5622 1 10 . 1 1 11 11 PHE N N 11 123.876 123.876 122.652 1.224 25638 5623 1 10 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.209 -0.215 25638 5624 1 10 . 1 1 11 11 PHE C C 11 177.676 177.676 177.095 0.581 25638 5625 1 10 . 1 1 11 11 PHE CA C 11 63.219 63.219 62.465 0.754 25638 5626 1 10 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.030 0.316 25638 5627 1 10 . 1 1 11 11 PHE H H 11 9.296 9.296 8.999 0.297 25638 5628 1 10 . 1 1 12 12 SER N N 12 114.219 114.219 116.177 -1.958 25638 5629 1 10 . 1 1 12 12 SER HA H 12 4.151 4.151 4.138 0.013 25638 5630 1 10 . 1 1 12 12 SER C C 12 177.922 177.922 176.750 1.172 25638 5631 1 10 . 1 1 12 12 SER CA C 12 62.899 62.899 62.948 -0.049 25638 5632 1 10 . 1 1 12 12 SER CB C 12 63.194 63.194 63.073 0.121 25638 5633 1 10 . 1 1 12 12 SER H H 12 8.306 8.306 8.261 0.045 25638 5634 1 10 . 1 1 13 13 ILE N N 13 123.613 123.613 122.577 1.036 25638 5635 1 10 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.626 0.211 25638 5636 1 10 . 1 1 13 13 ILE C C 13 179.563 179.563 177.539 2.024 25638 5637 1 10 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.348 -0.248 25638 5638 1 10 . 1 1 13 13 ILE CB C 13 38.310 38.310 37.850 0.460 25638 5639 1 10 . 1 1 13 13 ILE H H 13 7.897 7.897 8.282 -0.385 25638 5640 1 10 . 1 1 14 14 CYS N N 14 118.125 118.125 118.896 -0.771 25638 5641 1 10 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.764 -0.213 25638 5642 1 10 . 1 1 14 14 CYS C C 14 176.010 176.010 176.577 -0.567 25638 5643 1 10 . 1 1 14 14 CYS CA C 14 64.572 64.572 63.872 0.700 25638 5644 1 10 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.984 0.737 25638 5645 1 10 . 1 1 14 14 CYS H H 14 8.329 8.329 8.727 -0.398 25638 5646 1 10 . 1 1 15 15 LYS N N 15 118.532 118.532 118.724 -0.192 25638 5647 1 10 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.421 -0.272 25638 5648 1 10 . 1 1 15 15 LYS C C 15 179.846 179.846 177.425 2.421 25638 5649 1 10 . 1 1 15 15 LYS CA C 15 59.732 59.732 58.792 0.940 25638 5650 1 10 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.281 -0.189 25638 5651 1 10 . 1 1 15 15 LYS H H 15 8.025 8.025 7.687 0.338 25638 5652 1 10 . 1 1 16 16 GLU N N 16 118.138 118.138 116.762 1.376 25638 5653 1 10 . 1 1 16 16 GLU HA H 16 4.027 4.027 3.985 0.042 25638 5654 1 10 . 1 1 16 16 GLU C C 16 180.959 180.959 179.238 1.721 25638 5655 1 10 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.686 0.456 25638 5656 1 10 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.813 -0.700 25638 5657 1 10 . 1 1 16 16 GLU H H 16 7.403 7.403 7.555 -0.152 25638 5658 1 10 . 1 1 17 17 ARG N N 17 117.969 117.969 116.930 1.039 25638 5659 1 10 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.010 0.053 25638 5660 1 10 . 1 1 17 17 ARG C C 17 179.544 179.544 178.229 1.315 25638 5661 1 10 . 1 1 17 17 ARG CA C 17 58.155 58.155 56.752 1.403 25638 5662 1 10 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.008 -0.041 25638 5663 1 10 . 1 1 17 17 ARG H H 17 8.325 8.325 8.024 0.301 25638 5664 1 10 . 1 1 18 18 MET N N 18 113.332 113.332 118.708 -5.376 25638 5665 1 10 . 1 1 18 18 MET HA H 18 4.561 4.561 4.350 0.211 25638 5666 1 10 . 1 1 18 18 MET C C 18 176.890 176.890 175.081 1.809 25638 5667 1 10 . 1 1 18 18 MET CA C 18 53.377 53.377 54.575 -1.198 25638 5668 1 10 . 1 1 18 18 MET CB C 18 29.724 29.724 30.765 -1.041 25638 5669 1 10 . 1 1 18 18 MET H H 18 7.718 7.718 7.568 0.150 25638 5670 1 10 . 1 1 19 19 ARG N N 19 123.288 123.288 120.465 2.823 25638 5671 1 10 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.553 -0.402 25638 5672 1 10 . 1 1 19 19 ARG C C 19 176.556 176.556 176.135 0.421 25638 5673 1 10 . 1 1 19 19 ARG CA C 19 61.133 61.133 58.392 2.741 25638 5674 1 10 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.429 -0.171 25638 5675 1 10 . 1 1 19 19 ARG H H 19 7.152 7.152 7.584 -0.432 25638 5676 1 10 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.317 0.026 25638 5677 1 10 . 1 1 20 20 PRO CA C 20 65.997 65.997 64.994 1.003 25638 5678 1 10 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.242 0.598 25638 5679 1 10 . 1 1 21 21 VAL N N 21 105.802 105.802 112.019 -6.217 25638 5680 1 10 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.223 0.598 25638 5681 1 10 . 1 1 21 21 VAL C C 21 176.261 176.261 176.322 -0.061 25638 5682 1 10 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.388 -1.285 25638 5683 1 10 . 1 1 21 21 VAL CB C 21 30.856 30.856 31.043 -0.187 25638 5684 1 10 . 1 1 21 21 VAL H H 21 7.352 7.352 7.733 -0.381 25638 5685 1 10 . 1 1 22 22 LYS N N 22 122.802 122.802 122.183 0.619 25638 5686 1 10 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.733 0.031 25638 5687 1 10 . 1 1 22 22 LYS C C 22 178.758 178.758 178.173 0.585 25638 5688 1 10 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.335 -0.003 25638 5689 1 10 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.002 0.212 25638 5690 1 10 . 1 1 22 22 LYS H H 22 7.640 7.640 7.609 0.031 25638 5691 1 10 . 1 1 23 23 ALA N N 23 120.067 120.067 121.849 -1.782 25638 5692 1 10 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.074 0.001 25638 5693 1 10 . 1 1 23 23 ALA C C 23 180.998 180.998 179.498 1.500 25638 5694 1 10 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.072 0.087 25638 5695 1 10 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.936 -0.022 25638 5696 1 10 . 1 1 23 23 ALA H H 23 8.571 8.571 8.334 0.237 25638 5697 1 10 . 1 1 24 24 ALA N N 24 121.068 121.068 121.446 -0.378 25638 5698 1 10 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.063 0.099 25638 5699 1 10 . 1 1 24 24 ALA C C 24 180.271 180.271 179.917 0.354 25638 5700 1 10 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.541 0.215 25638 5701 1 10 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.151 0.042 25638 5702 1 10 . 1 1 24 24 ALA H H 24 7.320 7.320 7.657 -0.337 25638 5703 1 10 . 1 1 25 25 LEU N N 25 117.214 117.214 118.794 -1.580 25638 5704 1 10 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.745 -0.034 25638 5705 1 10 . 1 1 25 25 LEU C C 25 179.524 179.524 179.126 0.398 25638 5706 1 10 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.807 0.144 25638 5707 1 10 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.314 -0.684 25638 5708 1 10 . 1 1 25 25 LEU H H 25 7.698 7.698 8.126 -0.428 25638 5709 1 10 . 1 1 26 26 LYS N N 26 116.336 116.336 117.472 -1.136 25638 5710 1 10 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.051 0.112 25638 5711 1 10 . 1 1 26 26 LYS C C 26 179.308 179.308 179.317 -0.009 25638 5712 1 10 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.434 -1.020 25638 5713 1 10 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.609 -0.443 25638 5714 1 10 . 1 1 26 26 LYS H H 26 7.675 7.675 7.855 -0.180 25638 5715 1 10 . 1 1 27 27 GLN N N 27 116.118 116.118 118.119 -2.001 25638 5716 1 10 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.259 0.016 25638 5717 1 10 . 1 1 27 27 GLN C C 27 178.679 178.679 178.551 0.128 25638 5718 1 10 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.490 -1.683 25638 5719 1 10 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.513 1.507 25638 5720 1 10 . 1 1 27 27 GLN H H 27 7.520 7.520 8.321 -0.801 25638 5721 1 10 . 1 1 28 28 LEU N N 28 121.335 121.335 117.402 3.933 25638 5722 1 10 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.227 -0.074 25638 5723 1 10 . 1 1 28 28 LEU C C 28 178.168 178.168 177.360 0.808 25638 5724 1 10 . 1 1 28 28 LEU CA C 28 58.042 58.042 56.675 1.367 25638 5725 1 10 . 1 1 28 28 LEU CB C 28 41.911 41.911 42.281 -0.370 25638 5726 1 10 . 1 1 28 28 LEU H H 28 7.506 7.506 7.975 -0.469 25638 5727 1 10 . 1 1 29 29 ASP N N 29 117.486 117.486 119.021 -1.535 25638 5728 1 10 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.799 0.115 25638 5729 1 10 . 1 1 29 29 ASP C C 29 176.772 176.772 176.730 0.042 25638 5730 1 10 . 1 1 29 29 ASP CA C 29 54.126 54.126 55.234 -1.108 25638 5731 1 10 . 1 1 29 29 ASP CB C 29 42.715 42.715 43.070 -0.355 25638 5732 1 10 . 1 1 29 29 ASP H H 29 8.120 8.120 8.049 0.071 25638 5733 1 10 . 1 1 30 30 ARG N N 30 119.107 119.107 121.401 -2.294 25638 5734 1 10 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.945 -0.184 25638 5735 1 10 . 1 1 30 30 ARG C C 30 173.824 173.824 174.381 -0.557 25638 5736 1 10 . 1 1 30 30 ARG CA C 30 53.231 53.231 52.694 0.537 25638 5737 1 10 . 1 1 30 30 ARG CB C 30 31.311 31.311 30.349 0.963 25638 5738 1 10 . 1 1 30 30 ARG H H 30 7.701 7.701 8.562 -0.861 25638 5739 1 10 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.631 -0.365 25638 5740 1 10 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.598 0.347 25638 5741 1 10 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.515 -0.501 25638 5742 1 10 . 1 1 32 32 GLU N N 32 122.391 122.391 120.057 2.334 25638 5743 1 10 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.170 0.018 25638 5744 1 10 . 1 1 32 32 GLU C C 32 177.401 177.401 176.499 0.902 25638 5745 1 10 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.740 -0.351 25638 5746 1 10 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.242 -0.054 25638 5747 1 10 . 1 1 32 32 GLU H H 32 8.454 8.454 8.255 0.199 25638 5748 1 10 . 1 1 33 33 LYS N N 33 123.127 123.127 119.941 3.186 25638 5749 1 10 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.473 -0.297 25638 5750 1 10 . 1 1 33 33 LYS C C 33 178.482 178.482 175.576 2.906 25638 5751 1 10 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.417 0.710 25638 5752 1 10 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.077 -0.437 25638 5753 1 10 . 1 1 33 33 LYS H H 33 8.338 8.338 8.390 -0.052 25638 5754 1 10 . 1 1 34 34 GLY N N 34 109.507 109.507 108.164 1.343 25638 5755 1 10 . 1 1 34 34 GLY C C 34 175.475 175.475 174.660 0.815 25638 5756 1 10 . 1 1 34 34 GLY CA C 34 45.318 45.318 44.927 0.391 25638 5757 1 10 . 1 1 34 34 GLY H H 34 8.643 8.643 8.048 0.595 25638 5758 1 10 . 1 1 35 35 LEU N N 35 120.392 120.392 121.000 -0.608 25638 5759 1 10 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.580 -0.065 25638 5760 1 10 . 1 1 35 35 LEU C C 35 178.797 178.797 177.275 1.522 25638 5761 1 10 . 1 1 35 35 LEU CA C 35 54.449 54.449 57.198 -2.749 25638 5762 1 10 . 1 1 35 35 LEU CB C 35 43.116 43.116 42.208 0.908 25638 5763 1 10 . 1 1 35 35 LEU H H 35 7.480 7.480 8.177 -0.697 25638 5764 1 10 . 1 1 36 36 SER N N 36 118.629 118.629 109.992 8.637 25638 5765 1 10 . 1 1 36 36 SER HA H 36 4.471 4.471 4.627 -0.156 25638 5766 1 10 . 1 1 36 36 SER C C 36 175.632 175.632 174.444 1.188 25638 5767 1 10 . 1 1 36 36 SER CA C 36 57.814 57.814 57.387 0.427 25638 5768 1 10 . 1 1 36 36 SER CB C 36 64.678 64.678 65.021 -0.343 25638 5769 1 10 . 1 1 36 36 SER H H 36 8.838 8.838 7.633 1.205 25638 5770 1 10 . 1 1 37 37 GLU N N 37 122.722 122.722 121.786 0.936 25638 5771 1 10 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.005 0.009 25638 5772 1 10 . 1 1 37 37 GLU C C 37 179.976 179.976 178.179 1.797 25638 5773 1 10 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.194 1.385 25638 5774 1 10 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.708 -0.359 25638 5775 1 10 . 1 1 37 37 GLU H H 37 9.018 9.018 8.794 0.224 25638 5776 1 10 . 1 1 38 38 ARG N N 38 118.418 118.418 119.224 -0.806 25638 5777 1 10 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.343 -0.230 25638 5778 1 10 . 1 1 38 38 ARG C C 38 180.212 180.212 178.398 1.814 25638 5779 1 10 . 1 1 38 38 ARG CA C 38 59.448 59.448 57.923 1.525 25638 5780 1 10 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.099 -0.292 25638 5781 1 10 . 1 1 38 38 ARG H H 38 8.509 8.509 8.341 0.168 25638 5782 1 10 . 1 1 39 39 GLU N N 39 119.730 119.730 119.833 -0.103 25638 5783 1 10 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.058 0.032 25638 5784 1 10 . 1 1 39 39 GLU C C 39 180.529 180.529 178.809 1.720 25638 5785 1 10 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.516 -0.623 25638 5786 1 10 . 1 1 39 39 GLU CB C 39 30.557 30.557 29.020 1.536 25638 5787 1 10 . 1 1 39 39 GLU H H 39 7.761 7.761 8.604 -0.843 25638 5788 1 10 . 1 1 40 40 GLN N N 40 121.665 121.665 117.264 4.401 25638 5789 1 10 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.211 -0.167 25638 5790 1 10 . 1 1 40 40 GLN C C 40 179.760 179.760 178.455 1.305 25638 5791 1 10 . 1 1 40 40 GLN CA C 40 59.370 59.370 57.867 1.504 25638 5792 1 10 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.251 0.237 25638 5793 1 10 . 1 1 40 40 GLN H H 40 8.871 8.871 7.694 1.177 25638 5794 1 10 . 1 1 41 41 LEU N N 41 121.002 121.002 120.517 0.485 25638 5795 1 10 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.065 0.162 25638 5796 1 10 . 1 1 41 41 LEU C C 41 180.841 180.841 178.986 1.855 25638 5797 1 10 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.545 -0.255 25638 5798 1 10 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.820 -0.219 25638 5799 1 10 . 1 1 41 41 LEU H H 41 8.140 8.140 7.478 0.662 25638 5800 1 10 . 1 1 42 42 GLU N N 42 119.818 119.818 118.323 1.495 25638 5801 1 10 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.996 0.238 25638 5802 1 10 . 1 1 42 42 GLU C C 42 179.603 179.603 179.099 0.504 25638 5803 1 10 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.179 -0.269 25638 5804 1 10 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.503 -0.536 25638 5805 1 10 . 1 1 42 42 GLU H H 42 7.894 7.894 7.896 -0.002 25638 5806 1 10 . 1 1 43 43 HIS N N 43 119.964 119.964 119.326 0.638 25638 5807 1 10 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.276 0.145 25638 5808 1 10 . 1 1 43 43 HIS C C 43 179.140 179.140 177.558 1.582 25638 5809 1 10 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.803 -0.990 25638 5810 1 10 . 1 1 43 43 HIS CB C 43 29.444 29.444 29.926 -0.482 25638 5811 1 10 . 1 1 43 43 HIS H H 43 8.437 8.437 8.668 -0.231 25638 5812 1 10 . 1 1 44 44 THR N N 44 117.768 117.768 116.010 1.758 25638 5813 1 10 . 1 1 44 44 THR HA H 44 3.884 3.884 3.991 -0.107 25638 5814 1 10 . 1 1 44 44 THR C C 44 179.008 179.008 176.380 2.628 25638 5815 1 10 . 1 1 44 44 THR CA C 44 67.603 67.603 67.823 -0.220 25638 5816 1 10 . 1 1 44 44 THR CB C 44 68.981 68.981 68.444 0.537 25638 5817 1 10 . 1 1 44 44 THR H H 44 8.589 8.589 8.224 0.365 25638 5818 1 10 . 1 1 45 45 ARG N N 45 121.750 121.750 121.229 0.521 25638 5819 1 10 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.049 -0.170 25638 5820 1 10 . 1 1 45 45 ARG C C 45 178.817 178.817 178.399 0.418 25638 5821 1 10 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.235 1.624 25638 5822 1 10 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.020 1.696 25638 5823 1 10 . 1 1 45 45 ARG H H 45 8.255 8.255 7.540 0.715 25638 5824 1 10 . 1 1 46 46 GLN N N 46 116.576 116.576 120.023 -3.447 25638 5825 1 10 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.049 -0.025 25638 5826 1 10 . 1 1 46 46 GLN C C 46 181.018 181.018 178.621 2.397 25638 5827 1 10 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.947 0.629 25638 5828 1 10 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.006 -0.251 25638 5829 1 10 . 1 1 46 46 GLN H H 46 8.328 8.328 8.507 -0.179 25638 5830 1 10 . 1 1 47 47 CYS N N 47 118.569 118.569 119.137 -0.568 25638 5831 1 10 . 1 1 47 47 CYS HA H 47 4.083 4.083 3.980 0.103 25638 5832 1 10 . 1 1 47 47 CYS C C 47 177.244 177.244 176.998 0.246 25638 5833 1 10 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.962 0.142 25638 5834 1 10 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.580 -0.517 25638 5835 1 10 . 1 1 47 47 CYS H H 47 8.029 8.029 8.333 -0.304 25638 5836 1 10 . 1 1 48 48 LEU N N 48 119.873 119.873 121.269 -1.396 25638 5837 1 10 . 1 1 48 48 LEU HA H 48 4.069 4.069 3.879 0.190 25638 5838 1 10 . 1 1 48 48 LEU C C 48 179.839 179.839 178.997 0.842 25638 5839 1 10 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.514 -0.201 25638 5840 1 10 . 1 1 48 48 LEU CB C 48 42.225 42.225 42.169 0.056 25638 5841 1 10 . 1 1 48 48 LEU H H 48 8.539 8.539 8.455 0.084 25638 5842 1 10 . 1 1 49 49 ILE N N 49 119.523 119.523 116.164 3.359 25638 5843 1 10 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.035 -0.065 25638 5844 1 10 . 1 1 49 49 ILE C C 49 178.188 178.188 177.779 0.409 25638 5845 1 10 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.362 0.849 25638 5846 1 10 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.620 0.375 25638 5847 1 10 . 1 1 49 49 ILE H H 49 8.516 8.516 8.718 -0.202 25638 5848 1 10 . 1 1 50 50 LYS N N 50 118.622 118.622 120.226 -1.604 25638 5849 1 10 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.131 0.062 25638 5850 1 10 . 1 1 50 50 LYS C C 50 181.391 181.391 178.940 2.451 25638 5851 1 10 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.389 0.158 25638 5852 1 10 . 1 1 50 50 LYS CB C 50 32.590 32.590 31.970 0.620 25638 5853 1 10 . 1 1 50 50 LYS H H 50 7.522 7.522 7.917 -0.395 25638 5854 1 10 . 1 1 51 51 ILE N N 51 119.288 119.288 119.841 -0.553 25638 5855 1 10 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.557 -0.108 25638 5856 1 10 . 1 1 51 51 ILE C C 51 178.384 178.384 177.759 0.625 25638 5857 1 10 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.805 -0.038 25638 5858 1 10 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.829 1.151 25638 5859 1 10 . 1 1 51 51 ILE H H 51 8.107 8.107 8.337 -0.230 25638 5860 1 10 . 1 1 52 52 GLY N N 52 108.211 108.211 106.941 1.270 25638 5861 1 10 . 1 1 52 52 GLY C C 52 178.168 178.168 175.058 3.110 25638 5862 1 10 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.429 0.635 25638 5863 1 10 . 1 1 52 52 GLY H H 52 9.224 9.224 8.188 1.036 25638 5864 1 10 . 1 1 53 53 ASP N N 53 124.013 124.013 123.307 0.706 25638 5865 1 10 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.374 0.160 25638 5866 1 10 . 1 1 53 53 ASP C C 53 179.976 179.976 178.253 1.723 25638 5867 1 10 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.400 0.228 25638 5868 1 10 . 1 1 53 53 ASP CB C 53 39.282 39.282 41.133 -1.851 25638 5869 1 10 . 1 1 53 53 ASP H H 53 9.091 9.091 8.494 0.597 25638 5870 1 10 . 1 1 54 54 HIS N N 54 121.598 121.598 118.659 2.939 25638 5871 1 10 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.247 0.159 25638 5872 1 10 . 1 1 54 54 HIS C C 54 178.982 178.982 177.877 1.105 25638 5873 1 10 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.558 0.902 25638 5874 1 10 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.478 2.089 25638 5875 1 10 . 1 1 54 54 HIS H H 54 7.664 7.664 8.239 -0.575 25638 5876 1 10 . 1 1 55 55 ILE N N 55 121.892 121.892 121.226 0.666 25638 5877 1 10 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.392 -0.208 25638 5878 1 10 . 1 1 55 55 ILE C C 55 178.188 178.188 177.604 0.584 25638 5879 1 10 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.903 1.774 25638 5880 1 10 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.221 0.023 25638 5881 1 10 . 1 1 55 55 ILE H H 55 8.255 8.255 8.468 -0.213 25638 5882 1 10 . 1 1 56 56 THR N N 56 115.458 115.458 115.675 -0.217 25638 5883 1 10 . 1 1 56 56 THR HA H 56 3.759 3.759 3.896 -0.137 25638 5884 1 10 . 1 1 56 56 THR C C 56 180.195 180.195 177.078 3.117 25638 5885 1 10 . 1 1 56 56 THR CA C 56 67.551 67.551 66.772 0.779 25638 5886 1 10 . 1 1 56 56 THR CB C 56 68.756 68.756 68.243 0.513 25638 5887 1 10 . 1 1 56 56 THR H H 56 8.047 8.047 7.796 0.251 25638 5888 1 10 . 1 1 57 57 GLU N N 57 121.544 121.544 119.830 1.714 25638 5889 1 10 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.123 -0.169 25638 5890 1 10 . 1 1 57 57 GLU C C 57 180.979 180.979 177.722 3.257 25638 5891 1 10 . 1 1 57 57 GLU CA C 57 59.379 59.379 58.217 1.162 25638 5892 1 10 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.222 -0.482 25638 5893 1 10 . 1 1 57 57 GLU H H 57 7.591 7.591 8.432 -0.841 25638 5894 1 10 . 1 1 58 58 CYS N N 58 118.970 118.970 118.503 0.467 25638 5895 1 10 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.083 -0.143 25638 5896 1 10 . 1 1 58 58 CYS C C 58 178.089 178.089 176.661 1.428 25638 5897 1 10 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.045 1.177 25638 5898 1 10 . 1 1 58 58 CYS CB C 58 26.562 26.562 28.593 -2.031 25638 5899 1 10 . 1 1 58 58 CYS H H 58 8.206 8.206 7.464 0.742 25638 5900 1 10 . 1 1 59 59 LEU N N 59 116.873 116.873 119.483 -2.610 25638 5901 1 10 . 1 1 59 59 LEU HA H 59 4.251 4.251 3.965 0.286 25638 5902 1 10 . 1 1 59 59 LEU C C 59 179.033 179.033 178.494 0.539 25638 5903 1 10 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.369 -1.330 25638 5904 1 10 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.079 -0.042 25638 5905 1 10 . 1 1 59 59 LEU H H 59 7.726 7.726 8.347 -0.621 25638 5906 1 10 . 1 1 60 60 LYS N N 60 117.911 117.911 117.080 0.831 25638 5907 1 10 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.027 0.104 25638 5908 1 10 . 1 1 60 60 LYS C C 60 177.912 177.912 177.136 0.776 25638 5909 1 10 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.140 0.397 25638 5910 1 10 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.715 0.675 25638 5911 1 10 . 1 1 60 60 LYS H H 60 7.298 7.298 7.879 -0.581 25638 5912 1 10 . 1 1 61 61 GLU N N 61 115.507 115.507 119.386 -3.879 25638 5913 1 10 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.924 -0.035 25638 5914 1 10 . 1 1 61 61 GLU C C 61 176.576 176.576 176.815 -0.239 25638 5915 1 10 . 1 1 61 61 GLU CA C 61 57.051 57.051 58.018 -0.967 25638 5916 1 10 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.667 0.067 25638 5917 1 10 . 1 1 61 61 GLU H H 61 7.084 7.084 7.669 -0.585 25638 5918 1 10 . 1 1 62 62 TYR N N 62 118.581 118.581 117.757 0.824 25638 5919 1 10 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.504 0.202 25638 5920 1 10 . 1 1 62 62 TYR C C 62 175.935 175.935 176.551 -0.616 25638 5921 1 10 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.749 -0.602 25638 5922 1 10 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.983 1.402 25638 5923 1 10 . 1 1 62 62 TYR H H 62 7.387 7.387 7.058 0.329 25638 5924 1 10 . 1 1 63 63 THR N N 63 109.064 109.064 114.699 -5.635 25638 5925 1 10 . 1 1 63 63 THR HA H 63 4.507 4.507 4.287 0.220 25638 5926 1 10 . 1 1 63 63 THR C C 63 175.888 175.888 175.317 0.571 25638 5927 1 10 . 1 1 63 63 THR CA C 63 61.684 61.684 62.427 -0.743 25638 5928 1 10 . 1 1 63 63 THR CB C 63 70.092 70.092 69.239 0.853 25638 5929 1 10 . 1 1 63 63 THR H H 63 8.471 8.471 8.340 0.131 25638 5930 1 10 . 1 1 64 64 ASN N N 64 123.204 123.204 121.040 2.164 25638 5931 1 10 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.786 0.385 25638 5932 1 10 . 1 1 64 64 ASN C C 64 175.495 175.495 175.226 0.269 25638 5933 1 10 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.780 -1.643 25638 5934 1 10 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.511 1.169 25638 5935 1 10 . 1 1 64 64 ASN H H 64 7.993 7.993 8.279 -0.286 25638 5936 1 10 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.269 0.001 25638 5937 1 10 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.671 0.021 25638 5938 1 10 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.145 0.254 25638 5939 1 10 . 1 1 66 66 GLU N N 66 118.060 118.060 118.310 -0.250 25638 5940 1 10 . 1 1 66 66 GLU HA H 66 4.132 4.132 3.962 0.170 25638 5941 1 10 . 1 1 66 66 GLU C C 66 180.409 180.409 178.705 1.704 25638 5942 1 10 . 1 1 66 66 GLU CA C 66 59.374 59.374 60.115 -0.741 25638 5943 1 10 . 1 1 66 66 GLU CB C 66 28.803 28.803 29.145 -0.342 25638 5944 1 10 . 1 1 66 66 GLU H H 66 8.297 8.297 8.728 -0.431 25638 5945 1 10 . 1 1 67 67 GLN N N 67 120.531 120.531 118.922 1.609 25638 5946 1 10 . 1 1 67 67 GLN HA H 67 4.167 4.167 4.015 0.152 25638 5947 1 10 . 1 1 67 67 GLN C C 67 179.072 179.072 178.791 0.281 25638 5948 1 10 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.036 -0.208 25638 5949 1 10 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.600 0.643 25638 5950 1 10 . 1 1 67 67 GLN H H 67 7.738 7.738 7.705 0.033 25638 5951 1 10 . 1 1 68 68 ILE N N 68 119.632 119.632 118.293 1.339 25638 5952 1 10 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.951 -0.403 25638 5953 1 10 . 1 1 68 68 ILE C C 68 178.109 178.109 177.982 0.127 25638 5954 1 10 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.145 1.452 25638 5955 1 10 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.471 1.468 25638 5956 1 10 . 1 1 68 68 ILE H H 68 7.956 7.956 8.283 -0.327 25638 5957 1 10 . 1 1 69 69 LYS N N 69 117.236 117.236 120.104 -2.868 25638 5958 1 10 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.942 -0.013 25638 5959 1 10 . 1 1 69 69 LYS C C 69 180.271 180.271 178.822 1.449 25638 5960 1 10 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.301 0.620 25638 5961 1 10 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.018 0.589 25638 5962 1 10 . 1 1 69 69 LYS H H 69 7.665 7.665 7.951 -0.286 25638 5963 1 10 . 1 1 70 70 GLN N N 70 118.748 118.748 119.455 -0.707 25638 5964 1 10 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.087 -0.232 25638 5965 1 10 . 1 1 70 70 GLN C C 70 179.131 179.131 178.350 0.781 25638 5966 1 10 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.751 -0.499 25638 5967 1 10 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.157 0.520 25638 5968 1 10 . 1 1 70 70 GLN H H 70 7.787 7.787 8.210 -0.423 25638 5969 1 10 . 1 1 71 71 TRP N N 71 118.896 118.896 120.461 -1.565 25638 5970 1 10 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.329 -0.286 25638 5971 1 10 . 1 1 71 71 TRP C C 71 178.679 178.679 178.858 -0.179 25638 5972 1 10 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.630 1.319 25638 5973 1 10 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.386 -1.141 25638 5974 1 10 . 1 1 71 71 TRP H H 71 8.374 8.374 8.631 -0.257 25638 5975 1 10 . 1 1 72 72 ARG N N 72 122.698 122.698 120.034 2.664 25638 5976 1 10 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.984 -0.165 25638 5977 1 10 . 1 1 72 72 ARG C C 72 178.561 178.561 178.321 0.240 25638 5978 1 10 . 1 1 72 72 ARG CA C 72 61.032 61.032 60.082 0.950 25638 5979 1 10 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.285 -0.016 25638 5980 1 10 . 1 1 72 72 ARG H H 72 8.808 8.808 8.585 0.223 25638 5981 1 10 . 1 1 73 73 LYS N N 73 116.946 116.946 118.277 -1.331 25638 5982 1 10 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.249 -0.069 25638 5983 1 10 . 1 1 73 73 LYS C C 73 179.622 179.622 178.776 0.846 25638 5984 1 10 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.689 -0.154 25638 5985 1 10 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.010 -0.295 25638 5986 1 10 . 1 1 73 73 LYS H H 73 7.380 7.380 8.017 -0.637 25638 5987 1 10 . 1 1 74 74 ASN N N 74 116.434 116.434 120.157 -3.723 25638 5988 1 10 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.539 -0.262 25638 5989 1 10 . 1 1 74 74 ASN C C 74 178.148 178.148 178.142 0.006 25638 5990 1 10 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.137 -0.274 25638 5991 1 10 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.081 -0.047 25638 5992 1 10 . 1 1 74 74 ASN H H 74 8.309 8.309 8.476 -0.167 25638 5993 1 10 . 1 1 75 75 LEU N N 75 118.967 118.967 121.353 -2.386 25638 5994 1 10 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.218 -0.094 25638 5995 1 10 . 1 1 75 75 LEU C C 75 180.251 180.251 179.060 1.191 25638 5996 1 10 . 1 1 75 75 LEU CA C 75 58.827 58.827 59.199 -0.372 25638 5997 1 10 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.624 -0.640 25638 5998 1 10 . 1 1 75 75 LEU H H 75 8.635 8.635 8.614 0.021 25638 5999 1 10 . 1 1 76 76 TRP N N 76 118.544 118.544 119.364 -0.820 25638 6000 1 10 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.315 0.264 25638 6001 1 10 . 1 1 76 76 TRP C C 76 180.900 180.900 179.260 1.640 25638 6002 1 10 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.433 0.983 25638 6003 1 10 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.571 -0.473 25638 6004 1 10 . 1 1 76 76 TRP H H 76 8.006 8.006 7.525 0.481 25638 6005 1 10 . 1 1 77 77 ILE N N 77 121.982 121.982 120.520 1.462 25638 6006 1 10 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.795 0.036 25638 6007 1 10 . 1 1 77 77 ILE C C 77 181.254 181.254 178.714 2.540 25638 6008 1 10 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.576 0.466 25638 6009 1 10 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.258 -0.908 25638 6010 1 10 . 1 1 77 77 ILE H H 77 8.893 8.893 8.980 -0.087 25638 6011 1 10 . 1 1 78 78 PHE N N 78 123.458 123.458 121.361 2.097 25638 6012 1 10 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.205 -0.161 25638 6013 1 10 . 1 1 78 78 PHE C C 78 177.618 177.618 177.885 -0.267 25638 6014 1 10 . 1 1 78 78 PHE CA C 78 63.080 63.080 62.196 0.884 25638 6015 1 10 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.156 -0.446 25638 6016 1 10 . 1 1 78 78 PHE H H 78 8.753 8.753 8.663 0.090 25638 6017 1 10 . 1 1 79 79 VAL N N 79 117.726 117.726 118.911 -1.185 25638 6018 1 10 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.710 -0.231 25638 6019 1 10 . 1 1 79 79 VAL C C 79 178.876 178.876 178.253 0.623 25638 6020 1 10 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.300 0.513 25638 6021 1 10 . 1 1 79 79 VAL CB C 79 31.572 31.572 30.874 0.698 25638 6022 1 10 . 1 1 79 79 VAL H H 79 8.232 8.232 8.519 -0.287 25638 6023 1 10 . 1 1 80 80 SER N N 80 114.568 114.568 114.192 0.376 25638 6024 1 10 . 1 1 80 80 SER HA H 80 4.339 4.339 4.499 -0.160 25638 6025 1 10 . 1 1 80 80 SER C C 80 176.261 176.261 175.410 0.851 25638 6026 1 10 . 1 1 80 80 SER CA C 80 61.337 61.337 60.502 0.835 25638 6027 1 10 . 1 1 80 80 SER CB C 80 62.712 62.712 62.704 0.008 25638 6028 1 10 . 1 1 80 80 SER H H 80 8.353 8.353 7.984 0.369 25638 6029 1 10 . 1 1 81 81 LYS N N 81 121.180 121.180 120.180 1.000 25638 6030 1 10 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.358 -0.160 25638 6031 1 10 . 1 1 81 81 LYS C C 81 178.305 178.305 177.201 1.104 25638 6032 1 10 . 1 1 81 81 LYS CA C 81 57.104 57.104 57.483 -0.379 25638 6033 1 10 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.248 -1.589 25638 6034 1 10 . 1 1 81 81 LYS H H 81 7.481 7.481 7.298 0.183 25638 6035 1 10 . 1 1 82 82 PHE N N 82 117.950 117.950 118.702 -0.752 25638 6036 1 10 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.437 -0.040 25638 6037 1 10 . 1 1 82 82 PHE C C 82 174.787 174.787 176.795 -2.008 25638 6038 1 10 . 1 1 82 82 PHE CA C 82 58.398 58.398 60.283 -1.885 25638 6039 1 10 . 1 1 82 82 PHE CB C 82 38.937 38.937 39.836 -0.899 25638 6040 1 10 . 1 1 82 82 PHE H H 82 8.256 8.256 8.376 -0.120 25638 6041 1 10 . 1 1 83 83 THR N N 83 109.995 109.995 112.699 -2.704 25638 6042 1 10 . 1 1 83 83 THR HA H 83 4.988 4.988 4.419 0.569 25638 6043 1 10 . 1 1 83 83 THR C C 83 174.138 174.138 175.550 -1.412 25638 6044 1 10 . 1 1 83 83 THR CA C 83 59.609 59.609 61.041 -1.431 25638 6045 1 10 . 1 1 83 83 THR CB C 83 71.080 71.080 70.867 0.213 25638 6046 1 10 . 1 1 83 83 THR H H 83 7.665 7.665 7.607 0.057 25638 6047 1 10 . 1 1 84 84 GLU N N 84 119.416 119.416 121.919 -2.503 25638 6048 1 10 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.209 0.186 25638 6049 1 10 . 1 1 84 84 GLU C C 84 177.912 177.912 176.766 1.146 25638 6050 1 10 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.923 -1.427 25638 6051 1 10 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.766 -0.244 25638 6052 1 10 . 1 1 84 84 GLU H H 84 8.409 8.409 9.030 -0.621 25638 6053 1 10 . 1 1 85 85 PHE N N 85 120.265 120.265 120.305 -0.040 25638 6054 1 10 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.432 0.459 25638 6055 1 10 . 1 1 85 85 PHE C C 85 175.809 175.809 174.907 0.902 25638 6056 1 10 . 1 1 85 85 PHE CA C 85 56.109 56.109 58.322 -2.213 25638 6057 1 10 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.386 1.802 25638 6058 1 10 . 1 1 85 85 PHE H H 85 8.210 8.210 7.846 0.364 25638 6059 1 10 . 1 1 86 86 ASP N N 86 118.128 118.128 123.099 -4.971 25638 6060 1 10 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.541 0.195 25638 6061 1 10 . 1 1 86 86 ASP C C 86 176.986 176.986 177.248 -0.262 25638 6062 1 10 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.242 -2.059 25638 6063 1 10 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.447 0.086 25638 6064 1 10 . 1 1 86 86 ASP H H 86 8.119 8.119 8.653 -0.534 25638 6065 1 10 . 1 1 87 87 ALA N N 87 121.912 121.912 127.438 -5.526 25638 6066 1 10 . 1 1 87 87 ALA HA H 87 3.989 3.989 3.960 0.029 25638 6067 1 10 . 1 1 87 87 ALA C C 87 180.378 180.378 179.349 1.029 25638 6068 1 10 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.270 0.805 25638 6069 1 10 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.989 1.218 25638 6070 1 10 . 1 1 87 87 ALA H H 87 8.757 8.757 8.822 -0.065 25638 6071 1 10 . 1 1 88 88 ARG N N 88 117.072 117.072 117.882 -0.810 25638 6072 1 10 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.386 0.570 25638 6073 1 10 . 1 1 88 88 ARG C C 88 179.975 179.975 178.417 1.558 25638 6074 1 10 . 1 1 88 88 ARG CA C 88 59.252 59.252 58.319 0.933 25638 6075 1 10 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.796 -0.183 25638 6076 1 10 . 1 1 88 88 ARG H H 88 8.147 8.147 8.369 -0.222 25638 6077 1 10 . 1 1 89 89 LYS N N 89 121.809 121.809 119.979 1.830 25638 6078 1 10 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.031 -0.122 25638 6079 1 10 . 1 1 89 89 LYS C C 89 179.505 179.505 178.823 0.682 25638 6080 1 10 . 1 1 89 89 LYS CA C 89 58.986 58.986 59.194 -0.208 25638 6081 1 10 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.242 0.092 25638 6082 1 10 . 1 1 89 89 LYS H H 89 8.022 8.022 7.589 0.433 25638 6083 1 10 . 1 1 90 90 LEU N N 90 118.429 118.429 121.256 -2.827 25638 6084 1 10 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.884 -0.140 25638 6085 1 10 . 1 1 90 90 LEU C C 90 178.069 178.069 177.554 0.515 25638 6086 1 10 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.321 -0.278 25638 6087 1 10 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.770 0.692 25638 6088 1 10 . 1 1 90 90 LEU H H 90 8.139 8.139 8.598 -0.459 25638 6089 1 10 . 1 1 91 91 HIS N N 91 117.214 117.214 114.930 2.284 25638 6090 1 10 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.140 0.839 25638 6091 1 10 . 1 1 91 91 HIS C C 91 178.069 178.069 177.291 0.778 25638 6092 1 10 . 1 1 91 91 HIS CA C 91 58.178 58.178 57.532 0.646 25638 6093 1 10 . 1 1 91 91 HIS CB C 91 29.428 29.428 27.898 1.530 25638 6094 1 10 . 1 1 91 91 HIS H H 91 7.379 7.379 7.731 -0.352 25638 6095 1 10 . 1 1 92 92 LYS N N 92 118.466 118.466 120.776 -2.310 25638 6096 1 10 . 1 1 92 92 LYS HA H 92 3.635 3.635 4.137 -0.502 25638 6097 1 10 . 1 1 92 92 LYS C C 92 180.310 180.310 178.788 1.522 25638 6098 1 10 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.145 0.779 25638 6099 1 10 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.378 -0.013 25638 6100 1 10 . 1 1 92 92 LYS H H 92 7.599 7.599 7.431 0.168 25638 6101 1 10 . 1 1 93 93 LEU N N 93 120.752 120.752 120.635 0.117 25638 6102 1 10 . 1 1 93 93 LEU HA H 93 3.983 3.983 4.008 -0.025 25638 6103 1 10 . 1 1 93 93 LEU C C 93 181.269 181.269 178.971 2.298 25638 6104 1 10 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.578 -0.578 25638 6105 1 10 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.573 0.766 25638 6106 1 10 . 1 1 93 93 LEU H H 93 8.351 8.351 8.328 0.023 25638 6107 1 10 . 1 1 94 94 TYR N N 94 122.311 122.311 119.798 2.513 25638 6108 1 10 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.041 0.095 25638 6109 1 10 . 1 1 94 94 TYR C C 94 176.789 176.789 177.509 -0.720 25638 6110 1 10 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.631 -0.331 25638 6111 1 10 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.412 0.166 25638 6112 1 10 . 1 1 94 94 TYR H H 94 8.290 8.290 8.317 -0.027 25638 6113 1 10 . 1 1 95 95 LYS N N 95 117.851 117.851 119.308 -1.457 25638 6114 1 10 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.666 -0.240 25638 6115 1 10 . 1 1 95 95 LYS C C 95 180.684 180.684 178.696 1.988 25638 6116 1 10 . 1 1 95 95 LYS CA C 95 59.379 59.379 60.090 -0.711 25638 6117 1 10 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.141 -0.893 25638 6118 1 10 . 1 1 95 95 LYS H H 95 8.180 8.180 8.045 0.135 25638 6119 1 10 . 1 1 96 96 HIS N N 96 117.611 117.611 118.170 -0.559 25638 6120 1 10 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.270 -0.057 25638 6121 1 10 . 1 1 96 96 HIS C C 96 178.266 178.266 177.339 0.927 25638 6122 1 10 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.404 -0.130 25638 6123 1 10 . 1 1 96 96 HIS CB C 96 30.203 30.203 30.223 -0.020 25638 6124 1 10 . 1 1 96 96 HIS H H 96 8.049 8.049 8.263 -0.214 25638 6125 1 10 . 1 1 97 97 ALA N N 97 122.617 122.617 122.799 -0.182 25638 6126 1 10 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.013 0.078 25638 6127 1 10 . 1 1 97 97 ALA C C 97 181.352 181.352 179.259 2.093 25638 6128 1 10 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.170 -0.525 25638 6129 1 10 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.166 -0.397 25638 6130 1 10 . 1 1 97 97 ALA H H 97 8.104 8.104 7.995 0.109 25638 6131 1 10 . 1 1 98 98 ILE N N 98 111.626 111.626 118.382 -6.756 25638 6132 1 10 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.580 0.529 25638 6133 1 10 . 1 1 98 98 ILE C C 98 178.561 178.561 177.556 1.005 25638 6134 1 10 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.284 -1.554 25638 6135 1 10 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.931 -0.285 25638 6136 1 10 . 1 1 98 98 ILE H H 98 7.636 7.636 7.702 -0.066 25638 6137 1 10 . 1 1 99 99 LYS N N 99 124.158 124.158 119.007 5.151 25638 6138 1 10 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.899 0.146 25638 6139 1 10 . 1 1 99 99 LYS C C 99 179.111 179.111 177.902 1.209 25638 6140 1 10 . 1 1 99 99 LYS CA C 99 59.070 59.070 58.238 0.832 25638 6141 1 10 . 1 1 99 99 LYS CB C 99 32.172 32.172 31.867 0.305 25638 6142 1 10 . 1 1 99 99 LYS H H 99 7.359 7.359 8.403 -1.044 25638 6143 1 10 . 1 1 100 100 LYS N N 100 118.333 118.333 117.734 0.599 25638 6144 1 10 . 1 1 100 100 LYS HA H 100 4.143 4.143 3.948 0.195 25638 6145 1 10 . 1 1 100 100 LYS C C 100 179.111 179.111 178.479 0.632 25638 6146 1 10 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.046 -0.834 25638 6147 1 10 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.001 -0.259 25638 6148 1 10 . 1 1 100 100 LYS H H 100 7.937 7.937 7.616 0.321 25638 6149 1 10 . 1 1 101 101 ARG N N 101 121.125 121.125 118.575 2.550 25638 6150 1 10 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.065 0.064 25638 6151 1 10 . 1 1 101 101 ARG C C 101 178.541 178.541 177.792 0.749 25638 6152 1 10 . 1 1 101 101 ARG CA C 101 58.166 58.166 57.622 0.544 25638 6153 1 10 . 1 1 101 101 ARG CB C 101 30.591 30.591 29.811 0.780 25638 6154 1 10 . 1 1 101 101 ARG H H 101 7.895 7.895 7.536 0.359 25638 6155 1 10 . 1 1 102 102 GLN N N 102 119.756 119.756 119.144 0.612 25638 6156 1 10 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.151 0.056 25638 6157 1 10 . 1 1 102 102 GLN C C 102 178.129 178.129 175.230 2.899 25638 6158 1 10 . 1 1 102 102 GLN CA C 102 56.912 56.912 57.146 -0.234 25638 6159 1 10 . 1 1 102 102 GLN CB C 102 28.921 28.921 29.039 -0.118 25638 6160 1 10 . 1 1 102 102 GLN H H 102 8.167 8.167 7.761 0.406 25638 6161 1 10 . 1 1 103 103 GLU N N 103 120.553 120.553 123.008 -2.455 25638 6162 1 10 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.480 -0.280 25638 6163 1 10 . 1 1 103 103 GLU C C 103 178.286 178.286 175.813 2.473 25638 6164 1 10 . 1 1 103 103 GLU CA C 103 57.505 57.505 55.575 1.930 25638 6165 1 10 . 1 1 103 103 GLU CB C 103 29.924 29.924 30.718 -0.794 25638 6166 1 10 . 1 1 103 103 GLU H H 103 8.189 8.189 8.658 -0.469 25638 6167 1 10 . 1 1 104 104 SER N N 104 115.381 115.381 118.117 -2.736 25638 6168 1 10 . 1 1 104 104 SER HA H 104 4.431 4.431 4.538 -0.107 25638 6169 1 10 . 1 1 104 104 SER C C 104 175.750 175.750 173.204 2.546 25638 6170 1 10 . 1 1 104 104 SER CA C 104 59.154 59.154 59.019 0.135 25638 6171 1 10 . 1 1 104 104 SER CB C 104 63.456 63.456 63.764 -0.308 25638 6172 1 10 . 1 1 104 104 SER H H 104 8.099 8.099 8.359 -0.260 25638 6173 1 10 . 1 1 105 105 GLN N N 105 121.635 121.635 124.871 -3.236 25638 6174 1 10 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.259 0.076 25638 6175 1 10 . 1 1 105 105 GLN C C 105 177.008 177.008 175.033 1.975 25638 6176 1 10 . 1 1 105 105 GLN CA C 105 56.053 56.053 56.764 -0.711 25638 6177 1 10 . 1 1 105 105 GLN CB C 105 29.128 29.128 28.992 0.136 25638 6178 1 10 . 1 1 105 105 GLN H H 105 8.170 8.170 8.348 -0.178 25638 6179 1 10 . 1 1 106 106 GLN N N 106 120.850 120.850 122.280 -1.430 25638 6180 1 10 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.412 -0.081 25638 6181 1 10 . 1 1 106 106 GLN C C 106 176.713 176.713 175.040 1.673 25638 6182 1 10 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.060 0.891 25638 6183 1 10 . 1 1 106 106 GLN CB C 106 29.254 29.254 29.990 -0.736 25638 6184 1 10 . 1 1 106 106 GLN H H 106 8.281 8.281 8.449 -0.168 25638 6185 1 10 . 1 1 107 107 ASN N N 107 120.271 120.271 119.084 1.187 25638 6186 1 10 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.565 0.225 25638 6187 1 10 . 1 1 107 107 ASN C C 107 175.337 175.337 174.546 0.791 25638 6188 1 10 . 1 1 107 107 ASN CA C 107 53.353 53.353 54.186 -0.833 25638 6189 1 10 . 1 1 107 107 ASN CB C 107 39.094 39.094 38.383 0.711 25638 6190 1 10 . 1 1 107 107 ASN H H 107 8.434 8.434 9.167 -0.733 25638 6191 1 11 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.491 -0.046 25638 6192 1 11 . 1 1 2 2 PRO C C 2 178.089 178.089 176.123 1.966 25638 6193 1 11 . 1 1 2 2 PRO CA C 2 63.306 63.306 63.612 -0.306 25638 6194 1 11 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.102 0.366 25638 6195 1 11 . 1 1 3 3 LEU N N 3 122.239 122.239 117.460 4.779 25638 6196 1 11 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.411 -0.114 25638 6197 1 11 . 1 1 3 3 LEU C C 3 178.876 178.876 176.947 1.929 25638 6198 1 11 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.788 0.741 25638 6199 1 11 . 1 1 3 3 LEU CB C 3 42.150 42.150 43.233 -1.083 25638 6200 1 11 . 1 1 3 3 LEU H H 3 8.522 8.522 7.447 1.075 25638 6201 1 11 . 1 1 4 4 GLY N N 4 109.572 109.572 108.187 1.385 25638 6202 1 11 . 1 1 4 4 GLY C C 4 174.630 174.630 173.883 0.747 25638 6203 1 11 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.630 0.703 25638 6204 1 11 . 1 1 4 4 GLY H H 4 8.349 8.349 8.119 0.230 25638 6205 1 11 . 1 1 5 5 SER N N 5 115.481 115.481 116.223 -0.742 25638 6206 1 11 . 1 1 5 5 SER HA H 5 4.513 4.513 4.612 -0.099 25638 6207 1 11 . 1 1 5 5 SER C C 5 174.667 174.667 174.479 0.188 25638 6208 1 11 . 1 1 5 5 SER CA C 5 57.801 57.801 58.733 -0.932 25638 6209 1 11 . 1 1 5 5 SER CB C 5 64.536 64.536 63.391 1.145 25638 6210 1 11 . 1 1 5 5 SER H H 5 8.119 8.119 8.418 -0.299 25638 6211 1 11 . 1 1 6 6 LEU N N 6 121.895 121.895 116.843 5.052 25638 6212 1 11 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.103 0.551 25638 6213 1 11 . 1 1 6 6 LEU C C 6 177.932 177.932 175.596 2.336 25638 6214 1 11 . 1 1 6 6 LEU CA C 6 53.922 53.922 55.025 -1.103 25638 6215 1 11 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.049 2.557 25638 6216 1 11 . 1 1 6 6 LEU H H 6 8.319 8.319 7.926 0.393 25638 6217 1 11 . 1 1 7 7 ASP N N 7 121.978 121.978 121.006 0.972 25638 6218 1 11 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.686 -0.080 25638 6219 1 11 . 1 1 7 7 ASP C C 7 176.477 176.477 177.509 -1.032 25638 6220 1 11 . 1 1 7 7 ASP CA C 7 53.218 53.218 53.954 -0.736 25638 6221 1 11 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.529 -1.571 25638 6222 1 11 . 1 1 7 7 ASP H H 7 8.318 8.318 8.425 -0.107 25638 6223 1 11 . 1 1 8 8 GLN N N 8 119.885 119.885 121.966 -2.081 25638 6224 1 11 . 1 1 8 8 GLN HA H 8 4.086 4.086 3.956 0.130 25638 6225 1 11 . 1 1 8 8 GLN C C 8 179.710 179.710 178.355 1.355 25638 6226 1 11 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.180 0.645 25638 6227 1 11 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.839 -0.355 25638 6228 1 11 . 1 1 8 8 GLN H H 8 8.746 8.746 8.743 0.003 25638 6229 1 11 . 1 1 9 9 LYS N N 9 120.863 120.863 119.482 1.381 25638 6230 1 11 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.137 0.060 25638 6231 1 11 . 1 1 9 9 LYS C C 9 180.333 180.333 178.855 1.478 25638 6232 1 11 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.677 -0.303 25638 6233 1 11 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.683 0.274 25638 6234 1 11 . 1 1 9 9 LYS H H 9 8.454 8.454 8.351 0.103 25638 6235 1 11 . 1 1 10 10 THR N N 10 118.654 118.654 116.296 2.358 25638 6236 1 11 . 1 1 10 10 THR HA H 10 3.985 3.985 4.237 -0.252 25638 6237 1 11 . 1 1 10 10 THR C C 10 177.904 177.904 176.806 1.098 25638 6238 1 11 . 1 1 10 10 THR CA C 10 67.618 67.618 65.943 1.675 25638 6239 1 11 . 1 1 10 10 THR CB C 10 67.523 67.523 68.282 -0.759 25638 6240 1 11 . 1 1 10 10 THR H H 10 8.531 8.531 7.975 0.556 25638 6241 1 11 . 1 1 11 11 PHE N N 11 123.876 123.876 122.593 1.283 25638 6242 1 11 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.319 -0.325 25638 6243 1 11 . 1 1 11 11 PHE C C 11 177.676 177.676 177.984 -0.308 25638 6244 1 11 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.982 1.237 25638 6245 1 11 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.068 0.278 25638 6246 1 11 . 1 1 11 11 PHE H H 11 9.296 9.296 8.970 0.326 25638 6247 1 11 . 1 1 12 12 SER N N 12 114.219 114.219 115.556 -1.337 25638 6248 1 11 . 1 1 12 12 SER HA H 12 4.151 4.151 4.168 -0.017 25638 6249 1 11 . 1 1 12 12 SER C C 12 177.922 177.922 176.565 1.357 25638 6250 1 11 . 1 1 12 12 SER CA C 12 62.899 62.899 61.368 1.531 25638 6251 1 11 . 1 1 12 12 SER CB C 12 63.194 63.194 63.216 -0.022 25638 6252 1 11 . 1 1 12 12 SER H H 12 8.306 8.306 7.818 0.488 25638 6253 1 11 . 1 1 13 13 ILE N N 13 123.613 123.613 122.710 0.903 25638 6254 1 11 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.757 0.080 25638 6255 1 11 . 1 1 13 13 ILE C C 13 179.563 179.563 177.625 1.938 25638 6256 1 11 . 1 1 13 13 ILE CA C 13 65.100 65.100 62.995 2.105 25638 6257 1 11 . 1 1 13 13 ILE CB C 13 38.310 38.310 36.674 1.636 25638 6258 1 11 . 1 1 13 13 ILE H H 13 7.897 7.897 8.014 -0.117 25638 6259 1 11 . 1 1 14 14 CYS N N 14 118.125 118.125 118.095 0.030 25638 6260 1 11 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.756 -0.205 25638 6261 1 11 . 1 1 14 14 CYS C C 14 176.010 176.010 176.389 -0.379 25638 6262 1 11 . 1 1 14 14 CYS CA C 14 64.572 64.572 61.194 3.378 25638 6263 1 11 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.478 1.243 25638 6264 1 11 . 1 1 14 14 CYS H H 14 8.329 8.329 8.263 0.066 25638 6265 1 11 . 1 1 15 15 LYS N N 15 118.532 118.532 120.184 -1.652 25638 6266 1 11 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.542 -0.393 25638 6267 1 11 . 1 1 15 15 LYS C C 15 179.846 179.846 178.119 1.727 25638 6268 1 11 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.261 0.471 25638 6269 1 11 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.814 0.278 25638 6270 1 11 . 1 1 15 15 LYS H H 15 8.025 8.025 7.342 0.683 25638 6271 1 11 . 1 1 16 16 GLU N N 16 118.138 118.138 117.067 1.071 25638 6272 1 11 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.040 -0.013 25638 6273 1 11 . 1 1 16 16 GLU C C 16 180.959 180.959 179.413 1.546 25638 6274 1 11 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.535 0.607 25638 6275 1 11 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.709 -0.596 25638 6276 1 11 . 1 1 16 16 GLU H H 16 7.403 7.403 7.438 -0.035 25638 6277 1 11 . 1 1 17 17 ARG N N 17 117.969 117.969 118.886 -0.917 25638 6278 1 11 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.018 0.045 25638 6279 1 11 . 1 1 17 17 ARG C C 17 179.544 179.544 178.331 1.213 25638 6280 1 11 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.612 0.543 25638 6281 1 11 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.022 -0.055 25638 6282 1 11 . 1 1 17 17 ARG H H 17 8.325 8.325 7.763 0.562 25638 6283 1 11 . 1 1 18 18 MET N N 18 113.332 113.332 116.165 -2.833 25638 6284 1 11 . 1 1 18 18 MET HA H 18 4.561 4.561 4.302 0.259 25638 6285 1 11 . 1 1 18 18 MET C C 18 176.890 176.890 175.828 1.062 25638 6286 1 11 . 1 1 18 18 MET CA C 18 53.377 53.377 54.028 -0.651 25638 6287 1 11 . 1 1 18 18 MET CB C 18 29.724 29.724 32.000 -2.276 25638 6288 1 11 . 1 1 18 18 MET H H 18 7.718 7.718 8.096 -0.378 25638 6289 1 11 . 1 1 19 19 ARG N N 19 123.288 123.288 119.570 3.718 25638 6290 1 11 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.092 0.059 25638 6291 1 11 . 1 1 19 19 ARG C C 19 176.556 176.556 176.833 -0.277 25638 6292 1 11 . 1 1 19 19 ARG CA C 19 61.133 61.133 60.822 0.311 25638 6293 1 11 . 1 1 19 19 ARG CB C 19 28.258 28.258 27.718 0.540 25638 6294 1 11 . 1 1 19 19 ARG H H 19 7.152 7.152 7.370 -0.218 25638 6295 1 11 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.208 0.135 25638 6296 1 11 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.282 0.715 25638 6297 1 11 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.044 0.796 25638 6298 1 11 . 1 1 21 21 VAL N N 21 105.802 105.802 112.736 -6.934 25638 6299 1 11 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.099 0.722 25638 6300 1 11 . 1 1 21 21 VAL C C 21 176.261 176.261 176.691 -0.430 25638 6301 1 11 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.830 -1.727 25638 6302 1 11 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.449 0.407 25638 6303 1 11 . 1 1 21 21 VAL H H 21 7.352 7.352 7.687 -0.335 25638 6304 1 11 . 1 1 22 22 LYS N N 22 122.802 122.802 122.204 0.598 25638 6305 1 11 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.705 0.059 25638 6306 1 11 . 1 1 22 22 LYS C C 22 178.758 178.758 178.205 0.553 25638 6307 1 11 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.430 -0.098 25638 6308 1 11 . 1 1 22 22 LYS CB C 22 32.214 32.214 31.798 0.416 25638 6309 1 11 . 1 1 22 22 LYS H H 22 7.640 7.640 7.292 0.348 25638 6310 1 11 . 1 1 23 23 ALA N N 23 120.067 120.067 120.487 -0.420 25638 6311 1 11 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.134 -0.059 25638 6312 1 11 . 1 1 23 23 ALA C C 23 180.998 180.998 179.502 1.496 25638 6313 1 11 . 1 1 23 23 ALA CA C 23 55.159 55.159 54.824 0.335 25638 6314 1 11 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.985 -0.071 25638 6315 1 11 . 1 1 23 23 ALA H H 23 8.571 8.571 8.378 0.193 25638 6316 1 11 . 1 1 24 24 ALA N N 24 121.068 121.068 122.057 -0.989 25638 6317 1 11 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.127 0.035 25638 6318 1 11 . 1 1 24 24 ALA C C 24 180.271 180.271 179.790 0.481 25638 6319 1 11 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.541 0.215 25638 6320 1 11 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.346 -0.153 25638 6321 1 11 . 1 1 24 24 ALA H H 24 7.320 7.320 7.609 -0.289 25638 6322 1 11 . 1 1 25 25 LEU N N 25 117.214 117.214 118.767 -1.553 25638 6323 1 11 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.840 -0.129 25638 6324 1 11 . 1 1 25 25 LEU C C 25 179.524 179.524 179.393 0.131 25638 6325 1 11 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.788 0.163 25638 6326 1 11 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.348 -0.718 25638 6327 1 11 . 1 1 25 25 LEU H H 25 7.698 7.698 8.072 -0.374 25638 6328 1 11 . 1 1 26 26 LYS N N 26 116.336 116.336 118.464 -2.128 25638 6329 1 11 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.062 0.101 25638 6330 1 11 . 1 1 26 26 LYS C C 26 179.308 179.308 179.625 -0.317 25638 6331 1 11 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.219 -0.805 25638 6332 1 11 . 1 1 26 26 LYS CB C 26 32.166 32.166 31.913 0.253 25638 6333 1 11 . 1 1 26 26 LYS H H 26 7.675 7.675 8.080 -0.405 25638 6334 1 11 . 1 1 27 27 GLN N N 27 116.118 116.118 116.032 0.086 25638 6335 1 11 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.221 0.054 25638 6336 1 11 . 1 1 27 27 GLN C C 27 178.679 178.679 176.970 1.709 25638 6337 1 11 . 1 1 27 27 GLN CA C 27 56.807 56.807 57.656 -0.849 25638 6338 1 11 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.839 1.181 25638 6339 1 11 . 1 1 27 27 GLN H H 27 7.520 7.520 8.285 -0.765 25638 6340 1 11 . 1 1 28 28 LEU N N 28 121.335 121.335 117.051 4.284 25638 6341 1 11 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.619 -0.466 25638 6342 1 11 . 1 1 28 28 LEU C C 28 178.168 178.168 178.262 -0.094 25638 6343 1 11 . 1 1 28 28 LEU CA C 28 58.042 58.042 54.199 3.843 25638 6344 1 11 . 1 1 28 28 LEU CB C 28 41.911 41.911 43.142 -1.231 25638 6345 1 11 . 1 1 28 28 LEU H H 28 7.506 7.506 7.798 -0.292 25638 6346 1 11 . 1 1 29 29 ASP N N 29 117.486 117.486 122.844 -5.358 25638 6347 1 11 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.495 0.419 25638 6348 1 11 . 1 1 29 29 ASP C C 29 176.772 176.772 176.543 0.229 25638 6349 1 11 . 1 1 29 29 ASP CA C 29 54.126 54.126 57.142 -3.016 25638 6350 1 11 . 1 1 29 29 ASP CB C 29 42.715 42.715 41.859 0.856 25638 6351 1 11 . 1 1 29 29 ASP H H 29 8.120 8.120 8.432 -0.312 25638 6352 1 11 . 1 1 30 30 ARG N N 30 119.107 119.107 118.968 0.139 25638 6353 1 11 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.684 0.077 25638 6354 1 11 . 1 1 30 30 ARG C C 30 173.824 173.824 173.917 -0.093 25638 6355 1 11 . 1 1 30 30 ARG CA C 30 53.231 53.231 54.089 -0.858 25638 6356 1 11 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.230 0.081 25638 6357 1 11 . 1 1 30 30 ARG H H 30 7.701 7.701 7.685 0.016 25638 6358 1 11 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.553 -0.287 25638 6359 1 11 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.577 0.368 25638 6360 1 11 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.391 -0.377 25638 6361 1 11 . 1 1 32 32 GLU N N 32 122.391 122.391 120.404 1.987 25638 6362 1 11 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.200 -0.012 25638 6363 1 11 . 1 1 32 32 GLU C C 32 177.401 177.401 177.188 0.213 25638 6364 1 11 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.067 0.322 25638 6365 1 11 . 1 1 32 32 GLU CB C 32 30.188 30.188 29.754 0.434 25638 6366 1 11 . 1 1 32 32 GLU H H 32 8.454 8.454 8.674 -0.220 25638 6367 1 11 . 1 1 33 33 LYS N N 33 123.127 123.127 118.073 5.054 25638 6368 1 11 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.172 0.004 25638 6369 1 11 . 1 1 33 33 LYS C C 33 178.482 178.482 176.622 1.860 25638 6370 1 11 . 1 1 33 33 LYS CA C 33 57.127 57.127 57.090 0.037 25638 6371 1 11 . 1 1 33 33 LYS CB C 33 32.640 32.640 31.792 0.848 25638 6372 1 11 . 1 1 33 33 LYS H H 33 8.338 8.338 8.296 0.042 25638 6373 1 11 . 1 1 34 34 GLY N N 34 109.507 109.507 106.981 2.526 25638 6374 1 11 . 1 1 34 34 GLY C C 34 175.475 175.475 173.725 1.750 25638 6375 1 11 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.031 0.287 25638 6376 1 11 . 1 1 34 34 GLY H H 34 8.643 8.643 8.288 0.355 25638 6377 1 11 . 1 1 35 35 LEU N N 35 120.392 120.392 120.778 -0.386 25638 6378 1 11 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.726 -0.211 25638 6379 1 11 . 1 1 35 35 LEU C C 35 178.797 178.797 176.679 2.118 25638 6380 1 11 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.276 1.173 25638 6381 1 11 . 1 1 35 35 LEU CB C 35 43.116 43.116 44.126 -1.010 25638 6382 1 11 . 1 1 35 35 LEU H H 35 7.480 7.480 7.686 -0.206 25638 6383 1 11 . 1 1 36 36 SER N N 36 118.629 118.629 116.130 2.499 25638 6384 1 11 . 1 1 36 36 SER HA H 36 4.471 4.471 4.556 -0.085 25638 6385 1 11 . 1 1 36 36 SER C C 36 175.632 175.632 175.445 0.187 25638 6386 1 11 . 1 1 36 36 SER CA C 36 57.814 57.814 57.996 -0.182 25638 6387 1 11 . 1 1 36 36 SER CB C 36 64.678 64.678 64.040 0.638 25638 6388 1 11 . 1 1 36 36 SER H H 36 8.838 8.838 8.261 0.577 25638 6389 1 11 . 1 1 37 37 GLU N N 37 122.722 122.722 123.694 -0.972 25638 6390 1 11 . 1 1 37 37 GLU HA H 37 4.014 4.014 3.986 0.028 25638 6391 1 11 . 1 1 37 37 GLU C C 37 179.976 179.976 178.752 1.224 25638 6392 1 11 . 1 1 37 37 GLU CA C 37 60.578 60.578 60.213 0.365 25638 6393 1 11 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.623 -0.274 25638 6394 1 11 . 1 1 37 37 GLU H H 37 9.018 9.018 8.913 0.105 25638 6395 1 11 . 1 1 38 38 ARG N N 38 118.418 118.418 119.707 -1.289 25638 6396 1 11 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.142 -0.029 25638 6397 1 11 . 1 1 38 38 ARG C C 38 180.212 180.212 178.498 1.714 25638 6398 1 11 . 1 1 38 38 ARG CA C 38 59.448 59.448 59.220 0.228 25638 6399 1 11 . 1 1 38 38 ARG CB C 38 29.807 29.807 29.615 0.192 25638 6400 1 11 . 1 1 38 38 ARG H H 38 8.509 8.509 8.596 -0.087 25638 6401 1 11 . 1 1 39 39 GLU N N 39 119.730 119.730 118.861 0.869 25638 6402 1 11 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.146 -0.056 25638 6403 1 11 . 1 1 39 39 GLU C C 39 180.529 180.529 179.159 1.370 25638 6404 1 11 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.344 -0.451 25638 6405 1 11 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.884 1.673 25638 6406 1 11 . 1 1 39 39 GLU H H 39 7.761 7.761 8.535 -0.774 25638 6407 1 11 . 1 1 40 40 GLN N N 40 121.665 121.665 119.400 2.265 25638 6408 1 11 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.049 -0.005 25638 6409 1 11 . 1 1 40 40 GLN C C 40 179.760 179.760 178.559 1.201 25638 6410 1 11 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.773 0.597 25638 6411 1 11 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.391 0.097 25638 6412 1 11 . 1 1 40 40 GLN H H 40 8.871 8.871 8.115 0.756 25638 6413 1 11 . 1 1 41 41 LEU N N 41 121.002 121.002 120.421 0.581 25638 6414 1 11 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.037 0.190 25638 6415 1 11 . 1 1 41 41 LEU C C 41 180.841 180.841 178.677 2.164 25638 6416 1 11 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.267 0.023 25638 6417 1 11 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.385 0.216 25638 6418 1 11 . 1 1 41 41 LEU H H 41 8.140 8.140 8.231 -0.091 25638 6419 1 11 . 1 1 42 42 GLU N N 42 119.818 119.818 118.194 1.624 25638 6420 1 11 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.962 0.272 25638 6421 1 11 . 1 1 42 42 GLU C C 42 179.603 179.603 178.627 0.976 25638 6422 1 11 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.412 -0.502 25638 6423 1 11 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.345 -0.378 25638 6424 1 11 . 1 1 42 42 GLU H H 42 7.894 7.894 7.904 -0.010 25638 6425 1 11 . 1 1 43 43 HIS N N 43 119.964 119.964 120.454 -0.490 25638 6426 1 11 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.282 0.139 25638 6427 1 11 . 1 1 43 43 HIS C C 43 179.140 179.140 177.586 1.554 25638 6428 1 11 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.003 -0.190 25638 6429 1 11 . 1 1 43 43 HIS CB C 43 29.444 29.444 29.922 -0.478 25638 6430 1 11 . 1 1 43 43 HIS H H 43 8.437 8.437 8.733 -0.296 25638 6431 1 11 . 1 1 44 44 THR N N 44 117.768 117.768 115.681 2.087 25638 6432 1 11 . 1 1 44 44 THR HA H 44 3.884 3.884 4.132 -0.248 25638 6433 1 11 . 1 1 44 44 THR C C 44 179.008 179.008 177.005 2.003 25638 6434 1 11 . 1 1 44 44 THR CA C 44 67.603 67.603 67.379 0.224 25638 6435 1 11 . 1 1 44 44 THR CB C 44 68.981 68.981 68.333 0.648 25638 6436 1 11 . 1 1 44 44 THR H H 44 8.589 8.589 8.322 0.267 25638 6437 1 11 . 1 1 45 45 ARG N N 45 121.750 121.750 121.813 -0.063 25638 6438 1 11 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.119 -0.240 25638 6439 1 11 . 1 1 45 45 ARG C C 45 178.817 178.817 178.928 -0.111 25638 6440 1 11 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.615 1.244 25638 6441 1 11 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.613 1.103 25638 6442 1 11 . 1 1 45 45 ARG H H 45 8.255 8.255 7.616 0.639 25638 6443 1 11 . 1 1 46 46 GLN N N 46 116.576 116.576 118.925 -2.349 25638 6444 1 11 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.084 -0.060 25638 6445 1 11 . 1 1 46 46 GLN C C 46 181.018 181.018 178.727 2.291 25638 6446 1 11 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.740 0.835 25638 6447 1 11 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.242 -0.487 25638 6448 1 11 . 1 1 46 46 GLN H H 46 8.328 8.328 8.561 -0.233 25638 6449 1 11 . 1 1 47 47 CYS N N 47 118.569 118.569 119.357 -0.788 25638 6450 1 11 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.167 -0.084 25638 6451 1 11 . 1 1 47 47 CYS C C 47 177.244 177.244 177.254 -0.010 25638 6452 1 11 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.684 0.420 25638 6453 1 11 . 1 1 47 47 CYS CB C 47 27.063 27.063 26.965 0.098 25638 6454 1 11 . 1 1 47 47 CYS H H 47 8.029 8.029 8.459 -0.430 25638 6455 1 11 . 1 1 48 48 LEU N N 48 119.873 119.873 122.177 -2.304 25638 6456 1 11 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.207 -0.138 25638 6457 1 11 . 1 1 48 48 LEU C C 48 179.839 179.839 179.225 0.614 25638 6458 1 11 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.198 0.115 25638 6459 1 11 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.602 0.623 25638 6460 1 11 . 1 1 48 48 LEU H H 48 8.539 8.539 8.508 0.031 25638 6461 1 11 . 1 1 49 49 ILE N N 49 119.523 119.523 116.238 3.285 25638 6462 1 11 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.163 -0.193 25638 6463 1 11 . 1 1 49 49 ILE C C 49 178.188 178.188 177.700 0.488 25638 6464 1 11 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.276 0.935 25638 6465 1 11 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.208 0.787 25638 6466 1 11 . 1 1 49 49 ILE H H 49 8.516 8.516 8.647 -0.131 25638 6467 1 11 . 1 1 50 50 LYS N N 50 118.622 118.622 120.135 -1.513 25638 6468 1 11 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.163 0.030 25638 6469 1 11 . 1 1 50 50 LYS C C 50 181.391 181.391 178.840 2.551 25638 6470 1 11 . 1 1 50 50 LYS CA C 50 59.547 59.547 58.964 0.583 25638 6471 1 11 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.117 0.473 25638 6472 1 11 . 1 1 50 50 LYS H H 50 7.522 7.522 7.774 -0.252 25638 6473 1 11 . 1 1 51 51 ILE N N 51 119.288 119.288 120.572 -1.284 25638 6474 1 11 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.601 -0.152 25638 6475 1 11 . 1 1 51 51 ILE C C 51 178.384 178.384 177.849 0.535 25638 6476 1 11 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.907 -0.140 25638 6477 1 11 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.900 1.080 25638 6478 1 11 . 1 1 51 51 ILE H H 51 8.107 8.107 8.336 -0.229 25638 6479 1 11 . 1 1 52 52 GLY N N 52 108.211 108.211 106.790 1.421 25638 6480 1 11 . 1 1 52 52 GLY C C 52 178.168 178.168 175.447 2.721 25638 6481 1 11 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.602 0.462 25638 6482 1 11 . 1 1 52 52 GLY H H 52 9.224 9.224 8.488 0.736 25638 6483 1 11 . 1 1 53 53 ASP N N 53 124.013 124.013 123.360 0.653 25638 6484 1 11 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.482 0.052 25638 6485 1 11 . 1 1 53 53 ASP C C 53 179.976 179.976 178.451 1.525 25638 6486 1 11 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.425 0.203 25638 6487 1 11 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.589 -1.307 25638 6488 1 11 . 1 1 53 53 ASP H H 53 9.091 9.091 8.330 0.761 25638 6489 1 11 . 1 1 54 54 HIS N N 54 121.598 121.598 119.450 2.148 25638 6490 1 11 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.245 0.161 25638 6491 1 11 . 1 1 54 54 HIS C C 54 178.982 178.982 178.052 0.930 25638 6492 1 11 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.924 0.536 25638 6493 1 11 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.661 1.906 25638 6494 1 11 . 1 1 54 54 HIS H H 54 7.664 7.664 7.948 -0.284 25638 6495 1 11 . 1 1 55 55 ILE N N 55 121.892 121.892 120.876 1.016 25638 6496 1 11 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.470 -0.286 25638 6497 1 11 . 1 1 55 55 ILE C C 55 178.188 178.188 177.682 0.506 25638 6498 1 11 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.473 2.204 25638 6499 1 11 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.296 -0.052 25638 6500 1 11 . 1 1 55 55 ILE H H 55 8.255 8.255 8.226 0.029 25638 6501 1 11 . 1 1 56 56 THR N N 56 115.458 115.458 116.190 -0.732 25638 6502 1 11 . 1 1 56 56 THR HA H 56 3.759 3.759 3.905 -0.146 25638 6503 1 11 . 1 1 56 56 THR C C 56 180.195 180.195 176.355 3.840 25638 6504 1 11 . 1 1 56 56 THR CA C 56 67.551 67.551 67.376 0.175 25638 6505 1 11 . 1 1 56 56 THR CB C 56 68.756 68.756 68.571 0.185 25638 6506 1 11 . 1 1 56 56 THR H H 56 8.047 8.047 7.997 0.050 25638 6507 1 11 . 1 1 57 57 GLU N N 57 121.544 121.544 121.791 -0.247 25638 6508 1 11 . 1 1 57 57 GLU HA H 57 3.954 3.954 3.951 0.003 25638 6509 1 11 . 1 1 57 57 GLU C C 57 180.979 180.979 178.322 2.657 25638 6510 1 11 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.212 0.167 25638 6511 1 11 . 1 1 57 57 GLU CB C 57 28.740 28.740 28.854 -0.114 25638 6512 1 11 . 1 1 57 57 GLU H H 57 7.591 7.591 8.442 -0.851 25638 6513 1 11 . 1 1 58 58 CYS N N 58 118.970 118.970 117.801 1.169 25638 6514 1 11 . 1 1 58 58 CYS HA H 58 3.940 3.940 3.942 -0.002 25638 6515 1 11 . 1 1 58 58 CYS C C 58 178.089 178.089 177.124 0.965 25638 6516 1 11 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.904 0.318 25638 6517 1 11 . 1 1 58 58 CYS CB C 58 26.562 26.562 26.952 -0.390 25638 6518 1 11 . 1 1 58 58 CYS H H 58 8.206 8.206 7.610 0.596 25638 6519 1 11 . 1 1 59 59 LEU N N 59 116.873 116.873 120.014 -3.141 25638 6520 1 11 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.246 0.005 25638 6521 1 11 . 1 1 59 59 LEU C C 59 179.033 179.033 178.786 0.247 25638 6522 1 11 . 1 1 59 59 LEU CA C 59 56.039 56.039 56.834 -0.794 25638 6523 1 11 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.026 0.011 25638 6524 1 11 . 1 1 59 59 LEU H H 59 7.726 7.726 8.101 -0.375 25638 6525 1 11 . 1 1 60 60 LYS N N 60 117.911 117.911 117.616 0.295 25638 6526 1 11 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.241 -0.110 25638 6527 1 11 . 1 1 60 60 LYS C C 60 177.912 177.912 177.185 0.727 25638 6528 1 11 . 1 1 60 60 LYS CA C 60 58.537 58.537 57.293 1.244 25638 6529 1 11 . 1 1 60 60 LYS CB C 60 32.390 32.390 30.853 1.537 25638 6530 1 11 . 1 1 60 60 LYS H H 60 7.298 7.298 8.362 -1.064 25638 6531 1 11 . 1 1 61 61 GLU N N 61 115.507 115.507 117.682 -2.175 25638 6532 1 11 . 1 1 61 61 GLU HA H 61 3.889 3.889 4.191 -0.302 25638 6533 1 11 . 1 1 61 61 GLU C C 61 176.576 176.576 176.048 0.528 25638 6534 1 11 . 1 1 61 61 GLU CA C 61 57.051 57.051 56.219 0.832 25638 6535 1 11 . 1 1 61 61 GLU CB C 61 29.734 29.734 30.426 -0.692 25638 6536 1 11 . 1 1 61 61 GLU H H 61 7.084 7.084 7.345 -0.261 25638 6537 1 11 . 1 1 62 62 TYR N N 62 118.581 118.581 118.381 0.200 25638 6538 1 11 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.676 0.030 25638 6539 1 11 . 1 1 62 62 TYR C C 62 175.935 175.935 176.121 -0.186 25638 6540 1 11 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.271 -0.124 25638 6541 1 11 . 1 1 62 62 TYR CB C 62 40.385 40.385 39.329 1.056 25638 6542 1 11 . 1 1 62 62 TYR H H 62 7.387 7.387 7.315 0.072 25638 6543 1 11 . 1 1 63 63 THR N N 63 109.064 109.064 113.788 -4.724 25638 6544 1 11 . 1 1 63 63 THR HA H 63 4.507 4.507 4.411 0.096 25638 6545 1 11 . 1 1 63 63 THR C C 63 175.888 175.888 175.288 0.600 25638 6546 1 11 . 1 1 63 63 THR CA C 63 61.684 61.684 61.375 0.309 25638 6547 1 11 . 1 1 63 63 THR CB C 63 70.092 70.092 69.943 0.149 25638 6548 1 11 . 1 1 63 63 THR H H 63 8.471 8.471 8.398 0.073 25638 6549 1 11 . 1 1 64 64 ASN N N 64 123.204 123.204 122.300 0.904 25638 6550 1 11 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.846 0.325 25638 6551 1 11 . 1 1 64 64 ASN C C 64 175.495 175.495 174.876 0.619 25638 6552 1 11 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.516 -1.379 25638 6553 1 11 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.369 1.311 25638 6554 1 11 . 1 1 64 64 ASN H H 64 7.993 7.993 8.119 -0.126 25638 6555 1 11 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.329 -0.059 25638 6556 1 11 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.611 0.081 25638 6557 1 11 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.170 0.229 25638 6558 1 11 . 1 1 66 66 GLU N N 66 118.060 118.060 117.128 0.932 25638 6559 1 11 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.038 0.094 25638 6560 1 11 . 1 1 66 66 GLU C C 66 180.409 180.409 179.013 1.396 25638 6561 1 11 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.225 0.149 25638 6562 1 11 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.705 0.098 25638 6563 1 11 . 1 1 66 66 GLU H H 66 8.297 8.297 8.880 -0.583 25638 6564 1 11 . 1 1 67 67 GLN N N 67 120.531 120.531 119.842 0.689 25638 6565 1 11 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.967 0.200 25638 6566 1 11 . 1 1 67 67 GLN C C 67 179.072 179.072 178.555 0.517 25638 6567 1 11 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.035 -0.207 25638 6568 1 11 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.841 0.402 25638 6569 1 11 . 1 1 67 67 GLN H H 67 7.738 7.738 7.633 0.105 25638 6570 1 11 . 1 1 68 68 ILE N N 68 119.632 119.632 118.234 1.398 25638 6571 1 11 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.948 -0.400 25638 6572 1 11 . 1 1 68 68 ILE C C 68 178.109 178.109 178.123 -0.014 25638 6573 1 11 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.067 1.530 25638 6574 1 11 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.512 1.427 25638 6575 1 11 . 1 1 68 68 ILE H H 68 7.956 7.956 7.921 0.035 25638 6576 1 11 . 1 1 69 69 LYS N N 69 117.236 117.236 119.726 -2.490 25638 6577 1 11 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.980 -0.051 25638 6578 1 11 . 1 1 69 69 LYS C C 69 180.271 180.271 178.964 1.307 25638 6579 1 11 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.496 0.425 25638 6580 1 11 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.227 0.380 25638 6581 1 11 . 1 1 69 69 LYS H H 69 7.665 7.665 8.356 -0.691 25638 6582 1 11 . 1 1 70 70 GLN N N 70 118.748 118.748 119.574 -0.826 25638 6583 1 11 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.061 -0.206 25638 6584 1 11 . 1 1 70 70 GLN C C 70 179.131 179.131 178.367 0.764 25638 6585 1 11 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.743 -0.491 25638 6586 1 11 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.363 0.314 25638 6587 1 11 . 1 1 70 70 GLN H H 70 7.787 7.787 7.769 0.018 25638 6588 1 11 . 1 1 71 71 TRP N N 71 118.896 118.896 120.488 -1.592 25638 6589 1 11 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.286 -0.243 25638 6590 1 11 . 1 1 71 71 TRP C C 71 178.679 178.679 178.383 0.296 25638 6591 1 11 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.742 1.207 25638 6592 1 11 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.468 -1.224 25638 6593 1 11 . 1 1 71 71 TRP H H 71 8.374 8.374 8.642 -0.268 25638 6594 1 11 . 1 1 72 72 ARG N N 72 122.698 122.698 119.077 3.621 25638 6595 1 11 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.980 -0.161 25638 6596 1 11 . 1 1 72 72 ARG C C 72 178.561 178.561 178.268 0.293 25638 6597 1 11 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.696 1.336 25638 6598 1 11 . 1 1 72 72 ARG CB C 72 30.269 30.269 29.769 0.500 25638 6599 1 11 . 1 1 72 72 ARG H H 72 8.808 8.808 8.516 0.292 25638 6600 1 11 . 1 1 73 73 LYS N N 73 116.946 116.946 119.086 -2.140 25638 6601 1 11 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.224 -0.044 25638 6602 1 11 . 1 1 73 73 LYS C C 73 179.622 179.622 179.128 0.494 25638 6603 1 11 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.699 -0.164 25638 6604 1 11 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.323 -0.608 25638 6605 1 11 . 1 1 73 73 LYS H H 73 7.380 7.380 7.674 -0.294 25638 6606 1 11 . 1 1 74 74 ASN N N 74 116.434 116.434 118.980 -2.546 25638 6607 1 11 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.553 -0.276 25638 6608 1 11 . 1 1 74 74 ASN C C 74 178.148 178.148 177.922 0.226 25638 6609 1 11 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.357 -0.494 25638 6610 1 11 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.137 -0.103 25638 6611 1 11 . 1 1 74 74 ASN H H 74 8.309 8.309 8.510 -0.201 25638 6612 1 11 . 1 1 75 75 LEU N N 75 118.967 118.967 121.249 -2.282 25638 6613 1 11 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.259 -0.134 25638 6614 1 11 . 1 1 75 75 LEU C C 75 180.251 180.251 178.943 1.308 25638 6615 1 11 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.529 0.298 25638 6616 1 11 . 1 1 75 75 LEU CB C 75 40.984 40.984 40.920 0.064 25638 6617 1 11 . 1 1 75 75 LEU H H 75 8.635 8.635 8.665 -0.030 25638 6618 1 11 . 1 1 76 76 TRP N N 76 118.544 118.544 119.413 -0.869 25638 6619 1 11 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.319 0.260 25638 6620 1 11 . 1 1 76 76 TRP C C 76 180.900 180.900 179.445 1.455 25638 6621 1 11 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.332 1.084 25638 6622 1 11 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.386 -0.288 25638 6623 1 11 . 1 1 76 76 TRP H H 76 8.006 8.006 7.448 0.558 25638 6624 1 11 . 1 1 77 77 ILE N N 77 121.982 121.982 120.296 1.686 25638 6625 1 11 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.737 0.094 25638 6626 1 11 . 1 1 77 77 ILE C C 77 181.254 181.254 178.162 3.092 25638 6627 1 11 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.403 0.637 25638 6628 1 11 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.150 -0.800 25638 6629 1 11 . 1 1 77 77 ILE H H 77 8.893 8.893 8.874 0.019 25638 6630 1 11 . 1 1 78 78 PHE N N 78 123.458 123.458 120.628 2.830 25638 6631 1 11 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.237 -0.193 25638 6632 1 11 . 1 1 78 78 PHE C C 78 177.618 177.618 177.901 -0.283 25638 6633 1 11 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.507 1.573 25638 6634 1 11 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.064 -0.354 25638 6635 1 11 . 1 1 78 78 PHE H H 78 8.753 8.753 8.148 0.605 25638 6636 1 11 . 1 1 79 79 VAL N N 79 117.726 117.726 118.874 -1.148 25638 6637 1 11 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.636 -0.157 25638 6638 1 11 . 1 1 79 79 VAL C C 79 178.876 178.876 178.510 0.366 25638 6639 1 11 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.081 0.732 25638 6640 1 11 . 1 1 79 79 VAL CB C 79 31.572 31.572 30.542 1.030 25638 6641 1 11 . 1 1 79 79 VAL H H 79 8.232 8.232 8.709 -0.477 25638 6642 1 11 . 1 1 80 80 SER N N 80 114.568 114.568 116.757 -2.189 25638 6643 1 11 . 1 1 80 80 SER HA H 80 4.339 4.339 4.344 -0.005 25638 6644 1 11 . 1 1 80 80 SER C C 80 176.261 176.261 176.369 -0.108 25638 6645 1 11 . 1 1 80 80 SER CA C 80 61.337 61.337 61.394 -0.057 25638 6646 1 11 . 1 1 80 80 SER CB C 80 62.712 62.712 62.776 -0.064 25638 6647 1 11 . 1 1 80 80 SER H H 80 8.353 8.353 8.185 0.168 25638 6648 1 11 . 1 1 81 81 LYS N N 81 121.180 121.180 120.329 0.851 25638 6649 1 11 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.069 0.129 25638 6650 1 11 . 1 1 81 81 LYS C C 81 178.305 178.305 176.882 1.423 25638 6651 1 11 . 1 1 81 81 LYS CA C 81 57.104 57.104 57.525 -0.421 25638 6652 1 11 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.038 -1.379 25638 6653 1 11 . 1 1 81 81 LYS H H 81 7.481 7.481 7.625 -0.144 25638 6654 1 11 . 1 1 82 82 PHE N N 82 117.950 117.950 117.404 0.546 25638 6655 1 11 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.894 -0.497 25638 6656 1 11 . 1 1 82 82 PHE C C 82 174.787 174.787 174.865 -0.078 25638 6657 1 11 . 1 1 82 82 PHE CA C 82 58.398 58.398 57.199 1.199 25638 6658 1 11 . 1 1 82 82 PHE CB C 82 38.937 38.937 39.252 -0.315 25638 6659 1 11 . 1 1 82 82 PHE H H 82 8.256 8.256 7.717 0.539 25638 6660 1 11 . 1 1 83 83 THR N N 83 109.995 109.995 111.964 -1.969 25638 6661 1 11 . 1 1 83 83 THR HA H 83 4.988 4.988 4.732 0.256 25638 6662 1 11 . 1 1 83 83 THR C C 83 174.138 174.138 173.414 0.724 25638 6663 1 11 . 1 1 83 83 THR CA C 83 59.609 59.609 60.285 -0.676 25638 6664 1 11 . 1 1 83 83 THR CB C 83 71.080 71.080 71.129 -0.049 25638 6665 1 11 . 1 1 83 83 THR H H 83 7.665 7.665 7.302 0.363 25638 6666 1 11 . 1 1 84 84 GLU N N 84 119.416 119.416 120.585 -1.169 25638 6667 1 11 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.259 0.136 25638 6668 1 11 . 1 1 84 84 GLU C C 84 177.912 177.912 176.400 1.512 25638 6669 1 11 . 1 1 84 84 GLU CA C 84 56.496 56.496 58.084 -1.587 25638 6670 1 11 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.876 -0.354 25638 6671 1 11 . 1 1 84 84 GLU H H 84 8.409 8.409 8.642 -0.233 25638 6672 1 11 . 1 1 85 85 PHE N N 85 120.265 120.265 120.213 0.052 25638 6673 1 11 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.606 0.285 25638 6674 1 11 . 1 1 85 85 PHE C C 85 175.809 175.809 175.223 0.586 25638 6675 1 11 . 1 1 85 85 PHE CA C 85 56.109 56.109 56.023 0.086 25638 6676 1 11 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.208 1.980 25638 6677 1 11 . 1 1 85 85 PHE H H 85 8.210 8.210 7.351 0.859 25638 6678 1 11 . 1 1 86 86 ASP N N 86 118.128 118.128 124.894 -6.766 25638 6679 1 11 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.479 0.257 25638 6680 1 11 . 1 1 86 86 ASP C C 86 176.986 176.986 176.934 0.052 25638 6681 1 11 . 1 1 86 86 ASP CA C 86 53.183 53.183 56.143 -2.960 25638 6682 1 11 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.103 0.430 25638 6683 1 11 . 1 1 86 86 ASP H H 86 8.119 8.119 8.893 -0.774 25638 6684 1 11 . 1 1 87 87 ALA N N 87 121.912 121.912 126.219 -4.307 25638 6685 1 11 . 1 1 87 87 ALA HA H 87 3.989 3.989 3.897 0.092 25638 6686 1 11 . 1 1 87 87 ALA C C 87 180.378 180.378 179.434 0.944 25638 6687 1 11 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.836 0.239 25638 6688 1 11 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.759 1.448 25638 6689 1 11 . 1 1 87 87 ALA H H 87 8.757 8.757 8.518 0.239 25638 6690 1 11 . 1 1 88 88 ARG N N 88 117.072 117.072 116.248 0.824 25638 6691 1 11 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.000 -0.044 25638 6692 1 11 . 1 1 88 88 ARG C C 88 179.975 179.975 178.830 1.145 25638 6693 1 11 . 1 1 88 88 ARG CA C 88 59.252 59.252 58.839 0.413 25638 6694 1 11 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.620 -0.007 25638 6695 1 11 . 1 1 88 88 ARG H H 88 8.147 8.147 8.579 -0.432 25638 6696 1 11 . 1 1 89 89 LYS N N 89 121.809 121.809 119.356 2.453 25638 6697 1 11 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.038 -0.129 25638 6698 1 11 . 1 1 89 89 LYS C C 89 179.505 179.505 178.665 0.840 25638 6699 1 11 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.877 0.110 25638 6700 1 11 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.279 0.055 25638 6701 1 11 . 1 1 89 89 LYS H H 89 8.022 8.022 7.776 0.246 25638 6702 1 11 . 1 1 90 90 LEU N N 90 118.429 118.429 120.695 -2.266 25638 6703 1 11 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.889 -0.145 25638 6704 1 11 . 1 1 90 90 LEU C C 90 178.069 178.069 177.715 0.354 25638 6705 1 11 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.171 -0.128 25638 6706 1 11 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.731 0.731 25638 6707 1 11 . 1 1 90 90 LEU H H 90 8.139 8.139 8.549 -0.410 25638 6708 1 11 . 1 1 91 91 HIS N N 91 117.214 117.214 117.110 0.104 25638 6709 1 11 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.303 0.676 25638 6710 1 11 . 1 1 91 91 HIS C C 91 178.069 178.069 176.650 1.419 25638 6711 1 11 . 1 1 91 91 HIS CA C 91 58.178 58.178 59.785 -1.607 25638 6712 1 11 . 1 1 91 91 HIS CB C 91 29.428 29.428 28.982 0.446 25638 6713 1 11 . 1 1 91 91 HIS H H 91 7.379 7.379 7.721 -0.342 25638 6714 1 11 . 1 1 92 92 LYS N N 92 118.466 118.466 119.497 -1.031 25638 6715 1 11 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.575 0.060 25638 6716 1 11 . 1 1 92 92 LYS C C 92 180.310 180.310 178.562 1.748 25638 6717 1 11 . 1 1 92 92 LYS CA C 92 59.924 59.924 58.990 0.934 25638 6718 1 11 . 1 1 92 92 LYS CB C 92 32.365 32.365 31.734 0.631 25638 6719 1 11 . 1 1 92 92 LYS H H 92 7.599 7.599 7.315 0.284 25638 6720 1 11 . 1 1 93 93 LEU N N 93 120.752 120.752 121.054 -0.302 25638 6721 1 11 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.911 0.072 25638 6722 1 11 . 1 1 93 93 LEU C C 93 181.269 181.269 179.212 2.057 25638 6723 1 11 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.147 -0.147 25638 6724 1 11 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.661 0.678 25638 6725 1 11 . 1 1 93 93 LEU H H 93 8.351 8.351 8.050 0.301 25638 6726 1 11 . 1 1 94 94 TYR N N 94 122.311 122.311 120.281 2.030 25638 6727 1 11 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.037 0.099 25638 6728 1 11 . 1 1 94 94 TYR C C 94 176.789 176.789 177.053 -0.264 25638 6729 1 11 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.610 -0.310 25638 6730 1 11 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.366 0.212 25638 6731 1 11 . 1 1 94 94 TYR H H 94 8.290 8.290 8.690 -0.400 25638 6732 1 11 . 1 1 95 95 LYS N N 95 117.851 117.851 118.350 -0.499 25638 6733 1 11 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.512 -0.086 25638 6734 1 11 . 1 1 95 95 LYS C C 95 180.684 180.684 178.959 1.725 25638 6735 1 11 . 1 1 95 95 LYS CA C 95 59.379 59.379 58.685 0.694 25638 6736 1 11 . 1 1 95 95 LYS CB C 95 31.248 31.248 31.170 0.078 25638 6737 1 11 . 1 1 95 95 LYS H H 95 8.180 8.180 7.795 0.385 25638 6738 1 11 . 1 1 96 96 HIS N N 96 117.611 117.611 118.598 -0.987 25638 6739 1 11 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.302 -0.089 25638 6740 1 11 . 1 1 96 96 HIS C C 96 178.266 178.266 177.609 0.657 25638 6741 1 11 . 1 1 96 96 HIS CA C 96 59.274 59.274 58.404 0.870 25638 6742 1 11 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.196 1.007 25638 6743 1 11 . 1 1 96 96 HIS H H 96 8.049 8.049 8.112 -0.063 25638 6744 1 11 . 1 1 97 97 ALA N N 97 122.617 122.617 123.178 -0.561 25638 6745 1 11 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.088 0.003 25638 6746 1 11 . 1 1 97 97 ALA C C 97 181.352 181.352 179.483 1.869 25638 6747 1 11 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.233 -0.588 25638 6748 1 11 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.235 -0.466 25638 6749 1 11 . 1 1 97 97 ALA H H 97 8.104 8.104 8.155 -0.051 25638 6750 1 11 . 1 1 98 98 ILE N N 98 111.626 111.626 118.563 -6.937 25638 6751 1 11 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.601 0.508 25638 6752 1 11 . 1 1 98 98 ILE C C 98 178.561 178.561 177.676 0.885 25638 6753 1 11 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.616 -1.886 25638 6754 1 11 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.995 -0.349 25638 6755 1 11 . 1 1 98 98 ILE H H 98 7.636 7.636 7.824 -0.188 25638 6756 1 11 . 1 1 99 99 LYS N N 99 124.158 124.158 119.111 5.047 25638 6757 1 11 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.999 0.046 25638 6758 1 11 . 1 1 99 99 LYS C C 99 179.111 179.111 178.855 0.256 25638 6759 1 11 . 1 1 99 99 LYS CA C 99 59.070 59.070 58.560 0.510 25638 6760 1 11 . 1 1 99 99 LYS CB C 99 32.172 32.172 31.808 0.364 25638 6761 1 11 . 1 1 99 99 LYS H H 99 7.359 7.359 8.009 -0.650 25638 6762 1 11 . 1 1 100 100 LYS N N 100 118.333 118.333 119.041 -0.708 25638 6763 1 11 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.047 0.096 25638 6764 1 11 . 1 1 100 100 LYS C C 100 179.111 179.111 179.118 -0.007 25638 6765 1 11 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.672 -1.460 25638 6766 1 11 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.414 -0.672 25638 6767 1 11 . 1 1 100 100 LYS H H 100 7.937 7.937 8.024 -0.087 25638 6768 1 11 . 1 1 101 101 ARG N N 101 121.125 121.125 118.040 3.085 25638 6769 1 11 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.149 -0.020 25638 6770 1 11 . 1 1 101 101 ARG C C 101 178.541 178.541 176.888 1.653 25638 6771 1 11 . 1 1 101 101 ARG CA C 101 58.166 58.166 57.790 0.376 25638 6772 1 11 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.828 -0.237 25638 6773 1 11 . 1 1 101 101 ARG H H 101 7.895 7.895 7.859 0.036 25638 6774 1 11 . 1 1 102 102 GLN N N 102 119.756 119.756 117.658 2.098 25638 6775 1 11 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.497 -0.290 25638 6776 1 11 . 1 1 102 102 GLN C C 102 178.129 178.129 174.637 3.492 25638 6777 1 11 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.864 1.048 25638 6778 1 11 . 1 1 102 102 GLN CB C 102 28.921 28.921 29.291 -0.370 25638 6779 1 11 . 1 1 102 102 GLN H H 102 8.167 8.167 7.676 0.491 25638 6780 1 11 . 1 1 103 103 GLU N N 103 120.553 120.553 121.589 -1.036 25638 6781 1 11 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.284 -0.084 25638 6782 1 11 . 1 1 103 103 GLU C C 103 178.286 178.286 176.139 2.147 25638 6783 1 11 . 1 1 103 103 GLU CA C 103 57.505 57.505 56.787 0.718 25638 6784 1 11 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.388 0.536 25638 6785 1 11 . 1 1 103 103 GLU H H 103 8.189 8.189 8.951 -0.762 25638 6786 1 11 . 1 1 104 104 SER N N 104 115.381 115.381 116.873 -1.492 25638 6787 1 11 . 1 1 104 104 SER HA H 104 4.431 4.431 4.355 0.076 25638 6788 1 11 . 1 1 104 104 SER C C 104 175.750 175.750 174.842 0.908 25638 6789 1 11 . 1 1 104 104 SER CA C 104 59.154 59.154 58.653 0.501 25638 6790 1 11 . 1 1 104 104 SER CB C 104 63.456 63.456 63.786 -0.330 25638 6791 1 11 . 1 1 104 104 SER H H 104 8.099 8.099 7.842 0.257 25638 6792 1 11 . 1 1 105 105 GLN N N 105 121.635 121.635 118.455 3.180 25638 6793 1 11 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.507 -0.172 25638 6794 1 11 . 1 1 105 105 GLN C C 105 177.008 177.008 175.560 1.448 25638 6795 1 11 . 1 1 105 105 GLN CA C 105 56.053 56.053 55.149 0.904 25638 6796 1 11 . 1 1 105 105 GLN CB C 105 29.128 29.128 28.624 0.504 25638 6797 1 11 . 1 1 105 105 GLN H H 105 8.170 8.170 8.544 -0.374 25638 6798 1 11 . 1 1 106 106 GLN N N 106 120.850 120.850 118.757 2.093 25638 6799 1 11 . 1 1 106 106 GLN HA H 106 4.331 4.331 3.978 0.353 25638 6800 1 11 . 1 1 106 106 GLN C C 106 176.713 176.713 174.335 2.378 25638 6801 1 11 . 1 1 106 106 GLN CA C 106 55.951 55.951 56.684 -0.733 25638 6802 1 11 . 1 1 106 106 GLN CB C 106 29.254 29.254 28.145 1.109 25638 6803 1 11 . 1 1 106 106 GLN H H 106 8.281 8.281 7.912 0.369 25638 6804 1 11 . 1 1 107 107 ASN N N 107 120.271 120.271 117.809 2.462 25638 6805 1 11 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.961 -0.171 25638 6806 1 11 . 1 1 107 107 ASN C C 107 175.337 175.337 173.402 1.935 25638 6807 1 11 . 1 1 107 107 ASN CA C 107 53.353 53.353 52.418 0.935 25638 6808 1 11 . 1 1 107 107 ASN CB C 107 39.094 39.094 40.011 -0.917 25638 6809 1 11 . 1 1 107 107 ASN H H 107 8.434 8.434 8.373 0.061 25638 6810 1 12 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.708 -0.263 25638 6811 1 12 . 1 1 2 2 PRO C C 2 178.089 178.089 176.913 1.176 25638 6812 1 12 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.459 0.847 25638 6813 1 12 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.024 0.444 25638 6814 1 12 . 1 1 3 3 LEU N N 3 122.239 122.239 124.606 -2.367 25638 6815 1 12 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.187 0.110 25638 6816 1 12 . 1 1 3 3 LEU C C 3 178.876 178.876 178.355 0.521 25638 6817 1 12 . 1 1 3 3 LEU CA C 3 55.529 55.529 55.678 -0.149 25638 6818 1 12 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.141 0.009 25638 6819 1 12 . 1 1 3 3 LEU H H 3 8.522 8.522 8.544 -0.022 25638 6820 1 12 . 1 1 4 4 GLY N N 4 109.572 109.572 106.007 3.565 25638 6821 1 12 . 1 1 4 4 GLY C C 4 174.630 174.630 173.967 0.663 25638 6822 1 12 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.790 0.543 25638 6823 1 12 . 1 1 4 4 GLY H H 4 8.349 8.349 8.236 0.113 25638 6824 1 12 . 1 1 5 5 SER N N 5 115.481 115.481 115.355 0.126 25638 6825 1 12 . 1 1 5 5 SER HA H 5 4.513 4.513 4.146 0.367 25638 6826 1 12 . 1 1 5 5 SER C C 5 174.667 174.667 173.336 1.331 25638 6827 1 12 . 1 1 5 5 SER CA C 5 57.801 57.801 57.937 -0.136 25638 6828 1 12 . 1 1 5 5 SER CB C 5 64.536 64.536 62.124 2.412 25638 6829 1 12 . 1 1 5 5 SER H H 5 8.119 8.119 8.305 -0.186 25638 6830 1 12 . 1 1 6 6 LEU N N 6 121.895 121.895 117.937 3.958 25638 6831 1 12 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.106 0.548 25638 6832 1 12 . 1 1 6 6 LEU C C 6 177.932 177.932 176.335 1.597 25638 6833 1 12 . 1 1 6 6 LEU CA C 6 53.922 53.922 55.440 -1.518 25638 6834 1 12 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.466 2.140 25638 6835 1 12 . 1 1 6 6 LEU H H 6 8.319 8.319 8.001 0.318 25638 6836 1 12 . 1 1 7 7 ASP N N 7 121.978 121.978 122.597 -0.619 25638 6837 1 12 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.343 0.263 25638 6838 1 12 . 1 1 7 7 ASP C C 7 176.477 176.477 177.576 -1.099 25638 6839 1 12 . 1 1 7 7 ASP CA C 7 53.218 53.218 55.120 -1.902 25638 6840 1 12 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.315 -1.357 25638 6841 1 12 . 1 1 7 7 ASP H H 7 8.318 8.318 8.330 -0.012 25638 6842 1 12 . 1 1 8 8 GLN N N 8 119.885 119.885 124.882 -4.997 25638 6843 1 12 . 1 1 8 8 GLN HA H 8 4.086 4.086 3.970 0.116 25638 6844 1 12 . 1 1 8 8 GLN C C 8 179.710 179.710 178.180 1.530 25638 6845 1 12 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.777 0.048 25638 6846 1 12 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.781 -0.297 25638 6847 1 12 . 1 1 8 8 GLN H H 8 8.746 8.746 8.783 -0.037 25638 6848 1 12 . 1 1 9 9 LYS N N 9 120.863 120.863 118.352 2.511 25638 6849 1 12 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.133 0.064 25638 6850 1 12 . 1 1 9 9 LYS C C 9 180.333 180.333 178.668 1.665 25638 6851 1 12 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.970 -0.596 25638 6852 1 12 . 1 1 9 9 LYS CB C 9 31.957 31.957 32.463 -0.506 25638 6853 1 12 . 1 1 9 9 LYS H H 9 8.454 8.454 8.309 0.145 25638 6854 1 12 . 1 1 10 10 THR N N 10 118.654 118.654 116.705 1.949 25638 6855 1 12 . 1 1 10 10 THR HA H 10 3.985 3.985 4.183 -0.198 25638 6856 1 12 . 1 1 10 10 THR C C 10 177.904 177.904 177.204 0.700 25638 6857 1 12 . 1 1 10 10 THR CA C 10 67.618 67.618 66.522 1.096 25638 6858 1 12 . 1 1 10 10 THR CB C 10 67.523 67.523 68.405 -0.882 25638 6859 1 12 . 1 1 10 10 THR H H 10 8.531 8.531 7.777 0.754 25638 6860 1 12 . 1 1 11 11 PHE N N 11 123.876 123.876 123.276 0.600 25638 6861 1 12 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.284 -0.290 25638 6862 1 12 . 1 1 11 11 PHE C C 11 177.676 177.676 177.583 0.093 25638 6863 1 12 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.487 1.732 25638 6864 1 12 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.944 0.403 25638 6865 1 12 . 1 1 11 11 PHE H H 11 9.296 9.296 8.966 0.330 25638 6866 1 12 . 1 1 12 12 SER N N 12 114.219 114.219 116.246 -2.027 25638 6867 1 12 . 1 1 12 12 SER HA H 12 4.151 4.151 4.074 0.077 25638 6868 1 12 . 1 1 12 12 SER C C 12 177.922 177.922 176.583 1.339 25638 6869 1 12 . 1 1 12 12 SER CA C 12 62.899 62.899 62.668 0.231 25638 6870 1 12 . 1 1 12 12 SER CB C 12 63.194 63.194 63.041 0.153 25638 6871 1 12 . 1 1 12 12 SER H H 12 8.306 8.306 7.911 0.395 25638 6872 1 12 . 1 1 13 13 ILE N N 13 123.613 123.613 122.240 1.373 25638 6873 1 12 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.677 0.160 25638 6874 1 12 . 1 1 13 13 ILE C C 13 179.563 179.563 177.451 2.112 25638 6875 1 12 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.270 -0.170 25638 6876 1 12 . 1 1 13 13 ILE CB C 13 38.310 38.310 37.919 0.392 25638 6877 1 12 . 1 1 13 13 ILE H H 13 7.897 7.897 8.354 -0.457 25638 6878 1 12 . 1 1 14 14 CYS N N 14 118.125 118.125 118.113 0.012 25638 6879 1 12 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.779 -0.228 25638 6880 1 12 . 1 1 14 14 CYS C C 14 176.010 176.010 176.497 -0.487 25638 6881 1 12 . 1 1 14 14 CYS CA C 14 64.572 64.572 61.807 2.765 25638 6882 1 12 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.278 1.443 25638 6883 1 12 . 1 1 14 14 CYS H H 14 8.329 8.329 8.459 -0.130 25638 6884 1 12 . 1 1 15 15 LYS N N 15 118.532 118.532 120.627 -2.095 25638 6885 1 12 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.718 -0.569 25638 6886 1 12 . 1 1 15 15 LYS C C 15 179.846 179.846 178.814 1.032 25638 6887 1 12 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.028 0.704 25638 6888 1 12 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.686 0.406 25638 6889 1 12 . 1 1 15 15 LYS H H 15 8.025 8.025 6.924 1.101 25638 6890 1 12 . 1 1 16 16 GLU N N 16 118.138 118.138 117.660 0.478 25638 6891 1 12 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.027 0.000 25638 6892 1 12 . 1 1 16 16 GLU C C 16 180.959 180.959 179.325 1.634 25638 6893 1 12 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.419 0.723 25638 6894 1 12 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.588 -0.475 25638 6895 1 12 . 1 1 16 16 GLU H H 16 7.403 7.403 7.584 -0.181 25638 6896 1 12 . 1 1 17 17 ARG N N 17 117.969 117.969 118.276 -0.307 25638 6897 1 12 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.016 0.047 25638 6898 1 12 . 1 1 17 17 ARG C C 17 179.544 179.544 178.939 0.605 25638 6899 1 12 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.108 1.047 25638 6900 1 12 . 1 1 17 17 ARG CB C 17 29.967 29.967 29.701 0.266 25638 6901 1 12 . 1 1 17 17 ARG H H 17 8.325 8.325 8.306 0.019 25638 6902 1 12 . 1 1 18 18 MET N N 18 113.332 113.332 117.120 -3.788 25638 6903 1 12 . 1 1 18 18 MET HA H 18 4.561 4.561 4.350 0.211 25638 6904 1 12 . 1 1 18 18 MET C C 18 176.890 176.890 176.600 0.290 25638 6905 1 12 . 1 1 18 18 MET CA C 18 53.377 53.377 54.319 -0.943 25638 6906 1 12 . 1 1 18 18 MET CB C 18 29.724 29.724 30.968 -1.244 25638 6907 1 12 . 1 1 18 18 MET H H 18 7.718 7.718 8.513 -0.795 25638 6908 1 12 . 1 1 19 19 ARG N N 19 123.288 123.288 122.048 1.240 25638 6909 1 12 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.078 0.073 25638 6910 1 12 . 1 1 19 19 ARG C C 19 176.556 176.556 175.681 0.875 25638 6911 1 12 . 1 1 19 19 ARG CA C 19 61.133 61.133 61.347 -0.214 25638 6912 1 12 . 1 1 19 19 ARG CB C 19 28.258 28.258 27.672 0.587 25638 6913 1 12 . 1 1 19 19 ARG H H 19 7.152 7.152 7.501 -0.349 25638 6914 1 12 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.182 0.161 25638 6915 1 12 . 1 1 20 20 PRO CA C 20 65.997 65.997 64.461 1.536 25638 6916 1 12 . 1 1 20 20 PRO CB C 20 31.840 31.840 30.971 0.869 25638 6917 1 12 . 1 1 21 21 VAL N N 21 105.802 105.802 109.759 -3.957 25638 6918 1 12 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.458 0.363 25638 6919 1 12 . 1 1 21 21 VAL C C 21 176.261 176.261 176.205 0.056 25638 6920 1 12 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.480 -1.377 25638 6921 1 12 . 1 1 21 21 VAL CB C 21 30.856 30.856 32.420 -1.564 25638 6922 1 12 . 1 1 21 21 VAL H H 21 7.352 7.352 7.183 0.169 25638 6923 1 12 . 1 1 22 22 LYS N N 22 122.802 122.802 122.489 0.313 25638 6924 1 12 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.778 -0.014 25638 6925 1 12 . 1 1 22 22 LYS C C 22 178.758 178.758 178.411 0.347 25638 6926 1 12 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.451 -0.119 25638 6927 1 12 . 1 1 22 22 LYS CB C 22 32.214 32.214 31.832 0.382 25638 6928 1 12 . 1 1 22 22 LYS H H 22 7.640 7.640 7.361 0.279 25638 6929 1 12 . 1 1 23 23 ALA N N 23 120.067 120.067 121.306 -1.239 25638 6930 1 12 . 1 1 23 23 ALA HA H 23 4.075 4.075 3.995 0.080 25638 6931 1 12 . 1 1 23 23 ALA C C 23 180.998 180.998 179.302 1.696 25638 6932 1 12 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.309 -0.151 25638 6933 1 12 . 1 1 23 23 ALA CB C 23 17.914 17.914 18.059 -0.145 25638 6934 1 12 . 1 1 23 23 ALA H H 23 8.571 8.571 8.495 0.076 25638 6935 1 12 . 1 1 24 24 ALA N N 24 121.068 121.068 121.812 -0.744 25638 6936 1 12 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.091 0.071 25638 6937 1 12 . 1 1 24 24 ALA C C 24 180.271 180.271 179.995 0.276 25638 6938 1 12 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.660 0.096 25638 6939 1 12 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.216 -0.023 25638 6940 1 12 . 1 1 24 24 ALA H H 24 7.320 7.320 7.521 -0.201 25638 6941 1 12 . 1 1 25 25 LEU N N 25 117.214 117.214 118.372 -1.158 25638 6942 1 12 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.884 -0.173 25638 6943 1 12 . 1 1 25 25 LEU C C 25 179.524 179.524 179.141 0.383 25638 6944 1 12 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.819 0.132 25638 6945 1 12 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.607 -0.977 25638 6946 1 12 . 1 1 25 25 LEU H H 25 7.698 7.698 8.310 -0.612 25638 6947 1 12 . 1 1 26 26 LYS N N 26 116.336 116.336 116.666 -0.330 25638 6948 1 12 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.016 0.147 25638 6949 1 12 . 1 1 26 26 LYS C C 26 179.308 179.308 179.387 -0.079 25638 6950 1 12 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.423 -1.009 25638 6951 1 12 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.467 -0.301 25638 6952 1 12 . 1 1 26 26 LYS H H 26 7.675 7.675 7.863 -0.188 25638 6953 1 12 . 1 1 27 27 GLN N N 27 116.118 116.118 118.461 -2.343 25638 6954 1 12 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.113 0.162 25638 6955 1 12 . 1 1 27 27 GLN C C 27 178.679 178.679 178.241 0.438 25638 6956 1 12 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.331 -1.524 25638 6957 1 12 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.726 1.294 25638 6958 1 12 . 1 1 27 27 GLN H H 27 7.520 7.520 8.231 -0.711 25638 6959 1 12 . 1 1 28 28 LEU N N 28 121.335 121.335 117.454 3.881 25638 6960 1 12 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.346 -0.193 25638 6961 1 12 . 1 1 28 28 LEU C C 28 178.168 178.168 177.127 1.041 25638 6962 1 12 . 1 1 28 28 LEU CA C 28 58.042 58.042 55.523 2.519 25638 6963 1 12 . 1 1 28 28 LEU CB C 28 41.911 41.911 41.135 0.776 25638 6964 1 12 . 1 1 28 28 LEU H H 28 7.506 7.506 7.960 -0.454 25638 6965 1 12 . 1 1 29 29 ASP N N 29 117.486 117.486 120.095 -2.609 25638 6966 1 12 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.798 0.116 25638 6967 1 12 . 1 1 29 29 ASP C C 29 176.772 176.772 175.869 0.903 25638 6968 1 12 . 1 1 29 29 ASP CA C 29 54.126 54.126 55.460 -1.334 25638 6969 1 12 . 1 1 29 29 ASP CB C 29 42.715 42.715 43.083 -0.368 25638 6970 1 12 . 1 1 29 29 ASP H H 29 8.120 8.120 7.886 0.234 25638 6971 1 12 . 1 1 30 30 ARG N N 30 119.107 119.107 121.436 -2.329 25638 6972 1 12 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.852 -0.091 25638 6973 1 12 . 1 1 30 30 ARG C C 30 173.824 173.824 173.980 -0.156 25638 6974 1 12 . 1 1 30 30 ARG CA C 30 53.231 53.231 52.686 0.545 25638 6975 1 12 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.456 -0.145 25638 6976 1 12 . 1 1 30 30 ARG H H 30 7.701 7.701 8.308 -0.607 25638 6977 1 12 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.600 -0.334 25638 6978 1 12 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.716 0.229 25638 6979 1 12 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.721 -0.707 25638 6980 1 12 . 1 1 32 32 GLU N N 32 122.391 122.391 117.603 4.788 25638 6981 1 12 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.296 -0.108 25638 6982 1 12 . 1 1 32 32 GLU C C 32 177.401 177.401 176.472 0.929 25638 6983 1 12 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.184 0.205 25638 6984 1 12 . 1 1 32 32 GLU CB C 32 30.188 30.188 29.307 0.881 25638 6985 1 12 . 1 1 32 32 GLU H H 32 8.454 8.454 8.316 0.138 25638 6986 1 12 . 1 1 33 33 LYS N N 33 123.127 123.127 119.154 3.973 25638 6987 1 12 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.040 0.136 25638 6988 1 12 . 1 1 33 33 LYS C C 33 178.482 178.482 176.218 2.264 25638 6989 1 12 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.276 0.851 25638 6990 1 12 . 1 1 33 33 LYS CB C 33 32.640 32.640 31.378 1.262 25638 6991 1 12 . 1 1 33 33 LYS H H 33 8.338 8.338 8.257 0.081 25638 6992 1 12 . 1 1 34 34 GLY N N 34 109.507 109.507 105.532 3.975 25638 6993 1 12 . 1 1 34 34 GLY C C 34 175.475 175.475 174.794 0.681 25638 6994 1 12 . 1 1 34 34 GLY CA C 34 45.318 45.318 44.977 0.341 25638 6995 1 12 . 1 1 34 34 GLY H H 34 8.643 8.643 7.943 0.700 25638 6996 1 12 . 1 1 35 35 LEU N N 35 120.392 120.392 120.340 0.052 25638 6997 1 12 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.453 0.062 25638 6998 1 12 . 1 1 35 35 LEU C C 35 178.797 178.797 176.745 2.052 25638 6999 1 12 . 1 1 35 35 LEU CA C 35 54.449 54.449 54.072 0.377 25638 7000 1 12 . 1 1 35 35 LEU CB C 35 43.116 43.116 42.423 0.693 25638 7001 1 12 . 1 1 35 35 LEU H H 35 7.480 7.480 7.395 0.085 25638 7002 1 12 . 1 1 36 36 SER N N 36 118.629 118.629 114.568 4.061 25638 7003 1 12 . 1 1 36 36 SER HA H 36 4.471 4.471 4.437 0.034 25638 7004 1 12 . 1 1 36 36 SER C C 36 175.632 175.632 175.587 0.045 25638 7005 1 12 . 1 1 36 36 SER CA C 36 57.814 57.814 57.589 0.225 25638 7006 1 12 . 1 1 36 36 SER CB C 36 64.678 64.678 64.147 0.531 25638 7007 1 12 . 1 1 36 36 SER H H 36 8.838 8.838 8.162 0.676 25638 7008 1 12 . 1 1 37 37 GLU N N 37 122.722 122.722 122.836 -0.114 25638 7009 1 12 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.052 -0.038 25638 7010 1 12 . 1 1 37 37 GLU C C 37 179.976 179.976 178.648 1.328 25638 7011 1 12 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.377 1.200 25638 7012 1 12 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.680 -0.331 25638 7013 1 12 . 1 1 37 37 GLU H H 37 9.018 9.018 8.955 0.063 25638 7014 1 12 . 1 1 38 38 ARG N N 38 118.418 118.418 119.307 -0.889 25638 7015 1 12 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.096 0.017 25638 7016 1 12 . 1 1 38 38 ARG C C 38 180.212 180.212 178.561 1.651 25638 7017 1 12 . 1 1 38 38 ARG CA C 38 59.448 59.448 59.506 -0.058 25638 7018 1 12 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.203 -0.396 25638 7019 1 12 . 1 1 38 38 ARG H H 38 8.509 8.509 8.305 0.204 25638 7020 1 12 . 1 1 39 39 GLU N N 39 119.730 119.730 117.384 2.346 25638 7021 1 12 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.200 -0.110 25638 7022 1 12 . 1 1 39 39 GLU C C 39 180.529 180.529 178.479 2.050 25638 7023 1 12 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.281 -0.388 25638 7024 1 12 . 1 1 39 39 GLU CB C 39 30.557 30.557 29.082 1.475 25638 7025 1 12 . 1 1 39 39 GLU H H 39 7.761 7.761 8.679 -0.918 25638 7026 1 12 . 1 1 40 40 GLN N N 40 121.665 121.665 119.355 2.310 25638 7027 1 12 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.022 0.022 25638 7028 1 12 . 1 1 40 40 GLN C C 40 179.760 179.760 178.224 1.536 25638 7029 1 12 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.908 0.462 25638 7030 1 12 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.132 0.356 25638 7031 1 12 . 1 1 40 40 GLN H H 40 8.871 8.871 7.607 1.264 25638 7032 1 12 . 1 1 41 41 LEU N N 41 121.002 121.002 120.737 0.265 25638 7033 1 12 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.071 0.156 25638 7034 1 12 . 1 1 41 41 LEU C C 41 180.841 180.841 179.033 1.808 25638 7035 1 12 . 1 1 41 41 LEU CA C 41 58.290 58.290 57.889 0.401 25638 7036 1 12 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.221 0.381 25638 7037 1 12 . 1 1 41 41 LEU H H 41 8.140 8.140 7.751 0.389 25638 7038 1 12 . 1 1 42 42 GLU N N 42 119.818 119.818 118.648 1.170 25638 7039 1 12 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.955 0.279 25638 7040 1 12 . 1 1 42 42 GLU C C 42 179.603 179.603 178.693 0.910 25638 7041 1 12 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.464 -0.554 25638 7042 1 12 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.752 -0.785 25638 7043 1 12 . 1 1 42 42 GLU H H 42 7.894 7.894 7.724 0.170 25638 7044 1 12 . 1 1 43 43 HIS N N 43 119.964 119.964 119.234 0.730 25638 7045 1 12 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.227 0.194 25638 7046 1 12 . 1 1 43 43 HIS C C 43 179.140 179.140 177.706 1.434 25638 7047 1 12 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.411 -0.598 25638 7048 1 12 . 1 1 43 43 HIS CB C 43 29.444 29.444 29.946 -0.502 25638 7049 1 12 . 1 1 43 43 HIS H H 43 8.437 8.437 8.798 -0.361 25638 7050 1 12 . 1 1 44 44 THR N N 44 117.768 117.768 115.294 2.474 25638 7051 1 12 . 1 1 44 44 THR HA H 44 3.884 3.884 3.998 -0.114 25638 7052 1 12 . 1 1 44 44 THR C C 44 179.008 179.008 176.771 2.237 25638 7053 1 12 . 1 1 44 44 THR CA C 44 67.603 67.603 67.579 0.024 25638 7054 1 12 . 1 1 44 44 THR CB C 44 68.981 68.981 68.442 0.539 25638 7055 1 12 . 1 1 44 44 THR H H 44 8.589 8.589 8.376 0.213 25638 7056 1 12 . 1 1 45 45 ARG N N 45 121.750 121.750 121.813 -0.063 25638 7057 1 12 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.124 -0.245 25638 7058 1 12 . 1 1 45 45 ARG C C 45 178.817 178.817 178.856 -0.039 25638 7059 1 12 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.651 1.208 25638 7060 1 12 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.487 1.229 25638 7061 1 12 . 1 1 45 45 ARG H H 45 8.255 8.255 7.466 0.789 25638 7062 1 12 . 1 1 46 46 GLN N N 46 116.576 116.576 118.714 -2.138 25638 7063 1 12 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.050 -0.026 25638 7064 1 12 . 1 1 46 46 GLN C C 46 181.018 181.018 178.576 2.442 25638 7065 1 12 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.634 0.941 25638 7066 1 12 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.145 -0.390 25638 7067 1 12 . 1 1 46 46 GLN H H 46 8.328 8.328 8.519 -0.191 25638 7068 1 12 . 1 1 47 47 CYS N N 47 118.569 118.569 119.331 -0.762 25638 7069 1 12 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.109 -0.026 25638 7070 1 12 . 1 1 47 47 CYS C C 47 177.244 177.244 176.833 0.411 25638 7071 1 12 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.008 0.096 25638 7072 1 12 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.508 -0.445 25638 7073 1 12 . 1 1 47 47 CYS H H 47 8.029 8.029 8.552 -0.523 25638 7074 1 12 . 1 1 48 48 LEU N N 48 119.873 119.873 122.457 -2.584 25638 7075 1 12 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.053 0.016 25638 7076 1 12 . 1 1 48 48 LEU C C 48 179.839 179.839 178.803 1.036 25638 7077 1 12 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.312 0.001 25638 7078 1 12 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.698 0.527 25638 7079 1 12 . 1 1 48 48 LEU H H 48 8.539 8.539 8.446 0.093 25638 7080 1 12 . 1 1 49 49 ILE N N 49 119.523 119.523 115.601 3.922 25638 7081 1 12 . 1 1 49 49 ILE HA H 49 3.970 3.970 3.946 0.024 25638 7082 1 12 . 1 1 49 49 ILE C C 49 178.188 178.188 177.480 0.708 25638 7083 1 12 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.367 0.844 25638 7084 1 12 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.380 0.615 25638 7085 1 12 . 1 1 49 49 ILE H H 49 8.516 8.516 8.465 0.051 25638 7086 1 12 . 1 1 50 50 LYS N N 50 118.622 118.622 120.389 -1.767 25638 7087 1 12 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.055 0.138 25638 7088 1 12 . 1 1 50 50 LYS C C 50 181.391 181.391 179.108 2.283 25638 7089 1 12 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.574 -0.027 25638 7090 1 12 . 1 1 50 50 LYS CB C 50 32.590 32.590 31.952 0.638 25638 7091 1 12 . 1 1 50 50 LYS H H 50 7.522 7.522 7.352 0.170 25638 7092 1 12 . 1 1 51 51 ILE N N 51 119.288 119.288 119.467 -0.179 25638 7093 1 12 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.581 -0.132 25638 7094 1 12 . 1 1 51 51 ILE C C 51 178.384 178.384 177.598 0.786 25638 7095 1 12 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.672 0.095 25638 7096 1 12 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.761 1.219 25638 7097 1 12 . 1 1 51 51 ILE H H 51 8.107 8.107 8.101 0.006 25638 7098 1 12 . 1 1 52 52 GLY N N 52 108.211 108.211 107.010 1.201 25638 7099 1 12 . 1 1 52 52 GLY C C 52 178.168 178.168 175.460 2.708 25638 7100 1 12 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.525 0.539 25638 7101 1 12 . 1 1 52 52 GLY H H 52 9.224 9.224 8.015 1.209 25638 7102 1 12 . 1 1 53 53 ASP N N 53 124.013 124.013 123.529 0.484 25638 7103 1 12 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.371 0.163 25638 7104 1 12 . 1 1 53 53 ASP C C 53 179.976 179.976 178.294 1.682 25638 7105 1 12 . 1 1 53 53 ASP CA C 53 57.628 57.628 58.230 -0.602 25638 7106 1 12 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.697 -1.415 25638 7107 1 12 . 1 1 53 53 ASP H H 53 9.091 9.091 8.378 0.713 25638 7108 1 12 . 1 1 54 54 HIS N N 54 121.598 121.598 118.329 3.269 25638 7109 1 12 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.274 0.132 25638 7110 1 12 . 1 1 54 54 HIS C C 54 178.982 178.982 178.064 0.918 25638 7111 1 12 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.661 0.799 25638 7112 1 12 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.952 1.615 25638 7113 1 12 . 1 1 54 54 HIS H H 54 7.664 7.664 7.996 -0.332 25638 7114 1 12 . 1 1 55 55 ILE N N 55 121.892 121.892 120.367 1.525 25638 7115 1 12 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.534 -0.350 25638 7116 1 12 . 1 1 55 55 ILE C C 55 178.188 178.188 177.681 0.507 25638 7117 1 12 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.730 1.947 25638 7118 1 12 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.475 -0.231 25638 7119 1 12 . 1 1 55 55 ILE H H 55 8.255 8.255 8.286 -0.031 25638 7120 1 12 . 1 1 56 56 THR N N 56 115.458 115.458 116.562 -1.104 25638 7121 1 12 . 1 1 56 56 THR HA H 56 3.759 3.759 3.946 -0.187 25638 7122 1 12 . 1 1 56 56 THR C C 56 180.195 180.195 176.718 3.477 25638 7123 1 12 . 1 1 56 56 THR CA C 56 67.551 67.551 66.704 0.847 25638 7124 1 12 . 1 1 56 56 THR CB C 56 68.756 68.756 68.299 0.457 25638 7125 1 12 . 1 1 56 56 THR H H 56 8.047 8.047 7.903 0.144 25638 7126 1 12 . 1 1 57 57 GLU N N 57 121.544 121.544 120.697 0.847 25638 7127 1 12 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.062 -0.108 25638 7128 1 12 . 1 1 57 57 GLU C C 57 180.979 180.979 177.912 3.067 25638 7129 1 12 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.029 0.350 25638 7130 1 12 . 1 1 57 57 GLU CB C 57 28.740 28.740 28.838 -0.098 25638 7131 1 12 . 1 1 57 57 GLU H H 57 7.591 7.591 8.519 -0.928 25638 7132 1 12 . 1 1 58 58 CYS N N 58 118.970 118.970 116.589 2.381 25638 7133 1 12 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.129 -0.189 25638 7134 1 12 . 1 1 58 58 CYS C C 58 178.089 178.089 177.077 1.012 25638 7135 1 12 . 1 1 58 58 CYS CA C 58 63.222 63.222 61.326 1.896 25638 7136 1 12 . 1 1 58 58 CYS CB C 58 26.562 26.562 28.042 -1.480 25638 7137 1 12 . 1 1 58 58 CYS H H 58 8.206 8.206 7.523 0.683 25638 7138 1 12 . 1 1 59 59 LEU N N 59 116.873 116.873 121.374 -4.501 25638 7139 1 12 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.087 0.164 25638 7140 1 12 . 1 1 59 59 LEU C C 59 179.033 179.033 179.006 0.027 25638 7141 1 12 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.795 -1.756 25638 7142 1 12 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.548 -0.511 25638 7143 1 12 . 1 1 59 59 LEU H H 59 7.726 7.726 8.409 -0.683 25638 7144 1 12 . 1 1 60 60 LYS N N 60 117.911 117.911 117.706 0.205 25638 7145 1 12 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.065 0.066 25638 7146 1 12 . 1 1 60 60 LYS C C 60 177.912 177.912 177.399 0.513 25638 7147 1 12 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.552 -0.015 25638 7148 1 12 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.901 0.489 25638 7149 1 12 . 1 1 60 60 LYS H H 60 7.298 7.298 8.053 -0.755 25638 7150 1 12 . 1 1 61 61 GLU N N 61 115.507 115.507 117.106 -1.599 25638 7151 1 12 . 1 1 61 61 GLU HA H 61 3.889 3.889 4.007 -0.118 25638 7152 1 12 . 1 1 61 61 GLU C C 61 176.576 176.576 176.897 -0.321 25638 7153 1 12 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.510 -0.459 25638 7154 1 12 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.936 -0.202 25638 7155 1 12 . 1 1 61 61 GLU H H 61 7.084 7.084 7.454 -0.370 25638 7156 1 12 . 1 1 62 62 TYR N N 62 118.581 118.581 118.670 -0.089 25638 7157 1 12 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.462 0.244 25638 7158 1 12 . 1 1 62 62 TYR C C 62 175.935 175.935 176.623 -0.688 25638 7159 1 12 . 1 1 62 62 TYR CA C 62 57.147 57.147 58.272 -1.125 25638 7160 1 12 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.908 1.477 25638 7161 1 12 . 1 1 62 62 TYR H H 62 7.387 7.387 7.271 0.116 25638 7162 1 12 . 1 1 63 63 THR N N 63 109.064 109.064 112.483 -3.419 25638 7163 1 12 . 1 1 63 63 THR HA H 63 4.507 4.507 4.319 0.188 25638 7164 1 12 . 1 1 63 63 THR C C 63 175.888 175.888 174.888 1.000 25638 7165 1 12 . 1 1 63 63 THR CA C 63 61.684 61.684 62.065 -0.381 25638 7166 1 12 . 1 1 63 63 THR CB C 63 70.092 70.092 69.642 0.450 25638 7167 1 12 . 1 1 63 63 THR H H 63 8.471 8.471 8.297 0.174 25638 7168 1 12 . 1 1 64 64 ASN N N 64 123.204 123.204 121.521 1.683 25638 7169 1 12 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.955 0.216 25638 7170 1 12 . 1 1 64 64 ASN C C 64 175.495 175.495 175.335 0.160 25638 7171 1 12 . 1 1 64 64 ASN CA C 64 51.137 51.137 51.608 -0.470 25638 7172 1 12 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.958 0.722 25638 7173 1 12 . 1 1 64 64 ASN H H 64 7.993 7.993 8.118 -0.125 25638 7174 1 12 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.255 0.015 25638 7175 1 12 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.591 0.101 25638 7176 1 12 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.065 0.334 25638 7177 1 12 . 1 1 66 66 GLU N N 66 118.060 118.060 119.231 -1.171 25638 7178 1 12 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.072 0.060 25638 7179 1 12 . 1 1 66 66 GLU C C 66 180.409 180.409 179.137 1.272 25638 7180 1 12 . 1 1 66 66 GLU CA C 66 59.374 59.374 60.081 -0.707 25638 7181 1 12 . 1 1 66 66 GLU CB C 66 28.803 28.803 29.030 -0.227 25638 7182 1 12 . 1 1 66 66 GLU H H 66 8.297 8.297 8.826 -0.529 25638 7183 1 12 . 1 1 67 67 GLN N N 67 120.531 120.531 118.481 2.050 25638 7184 1 12 . 1 1 67 67 GLN HA H 67 4.167 4.167 4.027 0.140 25638 7185 1 12 . 1 1 67 67 GLN C C 67 179.072 179.072 178.689 0.383 25638 7186 1 12 . 1 1 67 67 GLN CA C 67 58.828 58.828 58.908 -0.080 25638 7187 1 12 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.503 0.740 25638 7188 1 12 . 1 1 67 67 GLN H H 67 7.738 7.738 8.180 -0.442 25638 7189 1 12 . 1 1 68 68 ILE N N 68 119.632 119.632 117.741 1.891 25638 7190 1 12 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.953 -0.405 25638 7191 1 12 . 1 1 68 68 ILE C C 68 178.109 178.109 178.087 0.022 25638 7192 1 12 . 1 1 68 68 ILE CA C 68 66.597 66.597 64.843 1.754 25638 7193 1 12 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.616 1.323 25638 7194 1 12 . 1 1 68 68 ILE H H 68 7.956 7.956 8.410 -0.454 25638 7195 1 12 . 1 1 69 69 LYS N N 69 117.236 117.236 119.908 -2.672 25638 7196 1 12 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.162 -0.233 25638 7197 1 12 . 1 1 69 69 LYS C C 69 180.271 180.271 178.776 1.495 25638 7198 1 12 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.176 0.745 25638 7199 1 12 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.628 -0.021 25638 7200 1 12 . 1 1 69 69 LYS H H 69 7.665 7.665 8.154 -0.489 25638 7201 1 12 . 1 1 70 70 GLN N N 70 118.748 118.748 120.659 -1.911 25638 7202 1 12 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.084 -0.229 25638 7203 1 12 . 1 1 70 70 GLN C C 70 179.131 179.131 178.051 1.080 25638 7204 1 12 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.800 -0.548 25638 7205 1 12 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.127 0.550 25638 7206 1 12 . 1 1 70 70 GLN H H 70 7.787 7.787 8.283 -0.496 25638 7207 1 12 . 1 1 71 71 TRP N N 71 118.896 118.896 119.642 -0.746 25638 7208 1 12 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.255 -0.212 25638 7209 1 12 . 1 1 71 71 TRP C C 71 178.679 178.679 178.374 0.305 25638 7210 1 12 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.174 1.775 25638 7211 1 12 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.238 -0.994 25638 7212 1 12 . 1 1 71 71 TRP H H 71 8.374 8.374 8.628 -0.254 25638 7213 1 12 . 1 1 72 72 ARG N N 72 122.698 122.698 119.560 3.138 25638 7214 1 12 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.929 -0.110 25638 7215 1 12 . 1 1 72 72 ARG C C 72 178.561 178.561 178.162 0.399 25638 7216 1 12 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.884 1.148 25638 7217 1 12 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.178 0.091 25638 7218 1 12 . 1 1 72 72 ARG H H 72 8.808 8.808 7.955 0.853 25638 7219 1 12 . 1 1 73 73 LYS N N 73 116.946 116.946 118.079 -1.133 25638 7220 1 12 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.229 -0.049 25638 7221 1 12 . 1 1 73 73 LYS C C 73 179.622 179.622 178.808 0.814 25638 7222 1 12 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.502 0.033 25638 7223 1 12 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.128 -0.413 25638 7224 1 12 . 1 1 73 73 LYS H H 73 7.380 7.380 7.965 -0.585 25638 7225 1 12 . 1 1 74 74 ASN N N 74 116.434 116.434 120.052 -3.618 25638 7226 1 12 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.534 -0.257 25638 7227 1 12 . 1 1 74 74 ASN C C 74 178.148 178.148 178.033 0.115 25638 7228 1 12 . 1 1 74 74 ASN CA C 74 55.863 55.863 55.937 -0.074 25638 7229 1 12 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.091 -0.057 25638 7230 1 12 . 1 1 74 74 ASN H H 74 8.309 8.309 8.462 -0.153 25638 7231 1 12 . 1 1 75 75 LEU N N 75 118.967 118.967 120.967 -2.000 25638 7232 1 12 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.229 -0.104 25638 7233 1 12 . 1 1 75 75 LEU C C 75 180.251 180.251 178.956 1.295 25638 7234 1 12 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.567 0.260 25638 7235 1 12 . 1 1 75 75 LEU CB C 75 40.984 40.984 40.918 0.066 25638 7236 1 12 . 1 1 75 75 LEU H H 75 8.635 8.635 8.694 -0.059 25638 7237 1 12 . 1 1 76 76 TRP N N 76 118.544 118.544 119.410 -0.866 25638 7238 1 12 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.278 0.301 25638 7239 1 12 . 1 1 76 76 TRP C C 76 180.900 180.900 179.173 1.727 25638 7240 1 12 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.041 1.375 25638 7241 1 12 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.364 -0.266 25638 7242 1 12 . 1 1 76 76 TRP H H 76 8.006 8.006 7.420 0.586 25638 7243 1 12 . 1 1 77 77 ILE N N 77 121.982 121.982 119.759 2.223 25638 7244 1 12 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.708 0.123 25638 7245 1 12 . 1 1 77 77 ILE C C 77 181.254 181.254 177.879 3.375 25638 7246 1 12 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.343 0.698 25638 7247 1 12 . 1 1 77 77 ILE CB C 77 37.350 37.350 37.979 -0.629 25638 7248 1 12 . 1 1 77 77 ILE H H 77 8.893 8.893 8.148 0.745 25638 7249 1 12 . 1 1 78 78 PHE N N 78 123.458 123.458 120.866 2.592 25638 7250 1 12 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.255 -0.211 25638 7251 1 12 . 1 1 78 78 PHE C C 78 177.618 177.618 177.147 0.471 25638 7252 1 12 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.196 1.884 25638 7253 1 12 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.046 -0.336 25638 7254 1 12 . 1 1 78 78 PHE H H 78 8.753 8.753 8.033 0.720 25638 7255 1 12 . 1 1 79 79 VAL N N 79 117.726 117.726 118.490 -0.764 25638 7256 1 12 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.342 0.137 25638 7257 1 12 . 1 1 79 79 VAL C C 79 178.876 178.876 178.408 0.468 25638 7258 1 12 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.572 0.241 25638 7259 1 12 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.641 -0.069 25638 7260 1 12 . 1 1 79 79 VAL H H 79 8.232 8.232 8.410 -0.178 25638 7261 1 12 . 1 1 80 80 SER N N 80 114.568 114.568 114.094 0.474 25638 7262 1 12 . 1 1 80 80 SER HA H 80 4.339 4.339 4.444 -0.105 25638 7263 1 12 . 1 1 80 80 SER C C 80 176.261 176.261 176.524 -0.263 25638 7264 1 12 . 1 1 80 80 SER CA C 80 61.337 61.337 61.558 -0.221 25638 7265 1 12 . 1 1 80 80 SER CB C 80 62.712 62.712 62.957 -0.245 25638 7266 1 12 . 1 1 80 80 SER H H 80 8.353 8.353 7.937 0.416 25638 7267 1 12 . 1 1 81 81 LYS N N 81 121.180 121.180 121.004 0.176 25638 7268 1 12 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.133 0.065 25638 7269 1 12 . 1 1 81 81 LYS C C 81 178.305 178.305 177.612 0.693 25638 7270 1 12 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.633 -1.529 25638 7271 1 12 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.446 -1.787 25638 7272 1 12 . 1 1 81 81 LYS H H 81 7.481 7.481 7.305 0.176 25638 7273 1 12 . 1 1 82 82 PHE N N 82 117.950 117.950 117.530 0.420 25638 7274 1 12 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.664 -0.267 25638 7275 1 12 . 1 1 82 82 PHE C C 82 174.787 174.787 174.861 -0.074 25638 7276 1 12 . 1 1 82 82 PHE CA C 82 58.398 58.398 57.437 0.961 25638 7277 1 12 . 1 1 82 82 PHE CB C 82 38.937 38.937 38.380 0.557 25638 7278 1 12 . 1 1 82 82 PHE H H 82 8.256 8.256 7.836 0.420 25638 7279 1 12 . 1 1 83 83 THR N N 83 109.995 109.995 112.103 -2.108 25638 7280 1 12 . 1 1 83 83 THR HA H 83 4.988 4.988 4.792 0.196 25638 7281 1 12 . 1 1 83 83 THR C C 83 174.138 174.138 173.521 0.617 25638 7282 1 12 . 1 1 83 83 THR CA C 83 59.609 59.609 59.966 -0.357 25638 7283 1 12 . 1 1 83 83 THR CB C 83 71.080 71.080 70.817 0.263 25638 7284 1 12 . 1 1 83 83 THR H H 83 7.665 7.665 7.489 0.176 25638 7285 1 12 . 1 1 84 84 GLU N N 84 119.416 119.416 120.521 -1.105 25638 7286 1 12 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.272 0.123 25638 7287 1 12 . 1 1 84 84 GLU C C 84 177.912 177.912 176.051 1.861 25638 7288 1 12 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.419 -0.923 25638 7289 1 12 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.896 -0.374 25638 7290 1 12 . 1 1 84 84 GLU H H 84 8.409 8.409 8.610 -0.201 25638 7291 1 12 . 1 1 85 85 PHE N N 85 120.265 120.265 120.377 -0.112 25638 7292 1 12 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.637 0.254 25638 7293 1 12 . 1 1 85 85 PHE C C 85 175.809 175.809 174.916 0.893 25638 7294 1 12 . 1 1 85 85 PHE CA C 85 56.109 56.109 57.035 -0.926 25638 7295 1 12 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.871 1.317 25638 7296 1 12 . 1 1 85 85 PHE H H 85 8.210 8.210 7.533 0.677 25638 7297 1 12 . 1 1 86 86 ASP N N 86 118.128 118.128 125.725 -7.597 25638 7298 1 12 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.606 0.130 25638 7299 1 12 . 1 1 86 86 ASP C C 86 176.986 176.986 177.195 -0.209 25638 7300 1 12 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.356 -2.173 25638 7301 1 12 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.642 -0.109 25638 7302 1 12 . 1 1 86 86 ASP H H 86 8.119 8.119 8.808 -0.689 25638 7303 1 12 . 1 1 87 87 ALA N N 87 121.912 121.912 126.943 -5.031 25638 7304 1 12 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.074 -0.085 25638 7305 1 12 . 1 1 87 87 ALA C C 87 180.378 180.378 179.429 0.949 25638 7306 1 12 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.518 0.557 25638 7307 1 12 . 1 1 87 87 ALA CB C 87 20.207 20.207 19.012 1.195 25638 7308 1 12 . 1 1 87 87 ALA H H 87 8.757 8.757 8.720 0.037 25638 7309 1 12 . 1 1 88 88 ARG N N 88 117.072 117.072 116.083 0.989 25638 7310 1 12 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.944 0.012 25638 7311 1 12 . 1 1 88 88 ARG C C 88 179.975 179.975 178.826 1.149 25638 7312 1 12 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.204 0.048 25638 7313 1 12 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.928 -0.315 25638 7314 1 12 . 1 1 88 88 ARG H H 88 8.147 8.147 8.565 -0.418 25638 7315 1 12 . 1 1 89 89 LYS N N 89 121.809 121.809 119.455 2.354 25638 7316 1 12 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.155 -0.246 25638 7317 1 12 . 1 1 89 89 LYS C C 89 179.505 179.505 178.549 0.956 25638 7318 1 12 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.628 0.358 25638 7319 1 12 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.420 -0.086 25638 7320 1 12 . 1 1 89 89 LYS H H 89 8.022 8.022 7.764 0.258 25638 7321 1 12 . 1 1 90 90 LEU N N 90 118.429 118.429 121.100 -2.671 25638 7322 1 12 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.655 0.089 25638 7323 1 12 . 1 1 90 90 LEU C C 90 178.069 178.069 177.840 0.229 25638 7324 1 12 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.895 -0.852 25638 7325 1 12 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.709 0.753 25638 7326 1 12 . 1 1 90 90 LEU H H 90 8.139 8.139 8.360 -0.221 25638 7327 1 12 . 1 1 91 91 HIS N N 91 117.214 117.214 116.225 0.989 25638 7328 1 12 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.433 0.546 25638 7329 1 12 . 1 1 91 91 HIS C C 91 178.069 178.069 177.304 0.765 25638 7330 1 12 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.217 -0.039 25638 7331 1 12 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.400 0.028 25638 7332 1 12 . 1 1 91 91 HIS H H 91 7.379 7.379 7.381 -0.002 25638 7333 1 12 . 1 1 92 92 LYS N N 92 118.466 118.466 120.302 -1.836 25638 7334 1 12 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.919 -0.284 25638 7335 1 12 . 1 1 92 92 LYS C C 92 180.310 180.310 178.592 1.718 25638 7336 1 12 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.111 0.813 25638 7337 1 12 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.215 0.150 25638 7338 1 12 . 1 1 92 92 LYS H H 92 7.599 7.599 7.397 0.202 25638 7339 1 12 . 1 1 93 93 LEU N N 93 120.752 120.752 120.488 0.264 25638 7340 1 12 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.782 0.201 25638 7341 1 12 . 1 1 93 93 LEU C C 93 181.269 181.269 179.046 2.223 25638 7342 1 12 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.145 -0.145 25638 7343 1 12 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.627 0.712 25638 7344 1 12 . 1 1 93 93 LEU H H 93 8.351 8.351 8.033 0.318 25638 7345 1 12 . 1 1 94 94 TYR N N 94 122.311 122.311 119.686 2.625 25638 7346 1 12 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.042 0.094 25638 7347 1 12 . 1 1 94 94 TYR C C 94 176.789 176.789 177.383 -0.594 25638 7348 1 12 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.157 0.143 25638 7349 1 12 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.285 0.292 25638 7350 1 12 . 1 1 94 94 TYR H H 94 8.290 8.290 8.790 -0.500 25638 7351 1 12 . 1 1 95 95 LYS N N 95 117.851 117.851 118.649 -0.798 25638 7352 1 12 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.538 -0.112 25638 7353 1 12 . 1 1 95 95 LYS C C 95 180.684 180.684 179.096 1.588 25638 7354 1 12 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.669 -0.290 25638 7355 1 12 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.156 -0.908 25638 7356 1 12 . 1 1 95 95 LYS H H 95 8.180 8.180 7.925 0.255 25638 7357 1 12 . 1 1 96 96 HIS N N 96 117.611 117.611 117.188 0.423 25638 7358 1 12 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.344 -0.131 25638 7359 1 12 . 1 1 96 96 HIS C C 96 178.266 178.266 177.580 0.686 25638 7360 1 12 . 1 1 96 96 HIS CA C 96 59.274 59.274 58.420 0.854 25638 7361 1 12 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.543 0.660 25638 7362 1 12 . 1 1 96 96 HIS H H 96 8.049 8.049 8.218 -0.169 25638 7363 1 12 . 1 1 97 97 ALA N N 97 122.617 122.617 121.795 0.822 25638 7364 1 12 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.188 -0.097 25638 7365 1 12 . 1 1 97 97 ALA C C 97 181.352 181.352 178.995 2.357 25638 7366 1 12 . 1 1 97 97 ALA CA C 97 54.645 54.645 54.604 0.041 25638 7367 1 12 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.215 -0.446 25638 7368 1 12 . 1 1 97 97 ALA H H 97 8.104 8.104 8.131 -0.027 25638 7369 1 12 . 1 1 98 98 ILE N N 98 111.626 111.626 119.258 -7.632 25638 7370 1 12 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.909 0.200 25638 7371 1 12 . 1 1 98 98 ILE C C 98 178.561 178.561 176.767 1.794 25638 7372 1 12 . 1 1 98 98 ILE CA C 98 62.730 62.730 63.137 -0.407 25638 7373 1 12 . 1 1 98 98 ILE CB C 98 37.646 37.646 38.602 -0.956 25638 7374 1 12 . 1 1 98 98 ILE H H 98 7.636 7.636 7.891 -0.255 25638 7375 1 12 . 1 1 99 99 LYS N N 99 124.158 124.158 121.173 2.985 25638 7376 1 12 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.827 0.218 25638 7377 1 12 . 1 1 99 99 LYS C C 99 179.111 179.111 178.018 1.093 25638 7378 1 12 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.442 -0.372 25638 7379 1 12 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.117 0.055 25638 7380 1 12 . 1 1 99 99 LYS H H 99 7.359 7.359 7.945 -0.586 25638 7381 1 12 . 1 1 100 100 LYS N N 100 118.333 118.333 116.745 1.588 25638 7382 1 12 . 1 1 100 100 LYS HA H 100 4.143 4.143 3.934 0.209 25638 7383 1 12 . 1 1 100 100 LYS C C 100 179.111 179.111 179.165 -0.054 25638 7384 1 12 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.527 -1.315 25638 7385 1 12 . 1 1 100 100 LYS CB C 100 31.742 31.742 31.645 0.097 25638 7386 1 12 . 1 1 100 100 LYS H H 100 7.937 7.937 7.910 0.027 25638 7387 1 12 . 1 1 101 101 ARG N N 101 121.125 121.125 119.430 1.695 25638 7388 1 12 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.144 -0.015 25638 7389 1 12 . 1 1 101 101 ARG C C 101 178.541 178.541 178.826 -0.285 25638 7390 1 12 . 1 1 101 101 ARG CA C 101 58.166 58.166 58.181 -0.015 25638 7391 1 12 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.277 0.314 25638 7392 1 12 . 1 1 101 101 ARG H H 101 7.895 7.895 7.735 0.160 25638 7393 1 12 . 1 1 102 102 GLN N N 102 119.756 119.756 119.109 0.647 25638 7394 1 12 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.250 -0.043 25638 7395 1 12 . 1 1 102 102 GLN C C 102 178.129 178.129 175.408 2.721 25638 7396 1 12 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.080 1.832 25638 7397 1 12 . 1 1 102 102 GLN CB C 102 28.921 28.921 27.606 1.315 25638 7398 1 12 . 1 1 102 102 GLN H H 102 8.167 8.167 7.867 0.300 25638 7399 1 12 . 1 1 103 103 GLU N N 103 120.553 120.553 121.773 -1.220 25638 7400 1 12 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.110 0.090 25638 7401 1 12 . 1 1 103 103 GLU C C 103 178.286 178.286 176.328 1.958 25638 7402 1 12 . 1 1 103 103 GLU CA C 103 57.505 57.505 57.801 -0.296 25638 7403 1 12 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.619 0.305 25638 7404 1 12 . 1 1 103 103 GLU H H 103 8.189 8.189 7.950 0.239 25638 7405 1 12 . 1 1 104 104 SER N N 104 115.381 115.381 117.395 -2.014 25638 7406 1 12 . 1 1 104 104 SER HA H 104 4.431 4.431 4.614 -0.183 25638 7407 1 12 . 1 1 104 104 SER C C 104 175.750 175.750 172.845 2.905 25638 7408 1 12 . 1 1 104 104 SER CA C 104 59.154 59.154 57.460 1.694 25638 7409 1 12 . 1 1 104 104 SER CB C 104 63.456 63.456 64.402 -0.946 25638 7410 1 12 . 1 1 104 104 SER H H 104 8.099 8.099 8.137 -0.038 25638 7411 1 12 . 1 1 105 105 GLN N N 105 121.635 121.635 122.305 -0.670 25638 7412 1 12 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.945 -0.610 25638 7413 1 12 . 1 1 105 105 GLN C C 105 177.008 177.008 174.307 2.701 25638 7414 1 12 . 1 1 105 105 GLN CA C 105 56.053 56.053 55.508 0.545 25638 7415 1 12 . 1 1 105 105 GLN CB C 105 29.128 29.128 30.217 -1.089 25638 7416 1 12 . 1 1 105 105 GLN H H 105 8.170 8.170 8.722 -0.552 25638 7417 1 12 . 1 1 106 106 GLN N N 106 120.850 120.850 119.984 0.866 25638 7418 1 12 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.402 -0.071 25638 7419 1 12 . 1 1 106 106 GLN C C 106 176.713 176.713 175.204 1.509 25638 7420 1 12 . 1 1 106 106 GLN CA C 106 55.951 55.951 54.924 1.027 25638 7421 1 12 . 1 1 106 106 GLN CB C 106 29.254 29.254 30.232 -0.978 25638 7422 1 12 . 1 1 106 106 GLN H H 106 8.281 8.281 8.221 0.060 25638 7423 1 12 . 1 1 107 107 ASN N N 107 120.271 120.271 117.179 3.092 25638 7424 1 12 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.523 0.267 25638 7425 1 12 . 1 1 107 107 ASN C C 107 175.337 175.337 174.383 0.954 25638 7426 1 12 . 1 1 107 107 ASN CA C 107 53.353 53.353 54.477 -1.124 25638 7427 1 12 . 1 1 107 107 ASN CB C 107 39.094 39.094 37.994 1.100 25638 7428 1 12 . 1 1 107 107 ASN H H 107 8.434 8.434 8.987 -0.553 25638 7429 1 13 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.534 -0.089 25638 7430 1 13 . 1 1 2 2 PRO C C 2 178.089 178.089 177.086 1.003 25638 7431 1 13 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.591 0.715 25638 7432 1 13 . 1 1 2 2 PRO CB C 2 32.468 32.468 31.988 0.480 25638 7433 1 13 . 1 1 3 3 LEU N N 3 122.239 122.239 118.998 3.241 25638 7434 1 13 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.700 -0.403 25638 7435 1 13 . 1 1 3 3 LEU C C 3 178.876 178.876 178.129 0.747 25638 7436 1 13 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.564 0.965 25638 7437 1 13 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.162 -0.012 25638 7438 1 13 . 1 1 3 3 LEU H H 3 8.522 8.522 7.896 0.626 25638 7439 1 13 . 1 1 4 4 GLY N N 4 109.572 109.572 106.346 3.226 25638 7440 1 13 . 1 1 4 4 GLY C C 4 174.630 174.630 174.080 0.550 25638 7441 1 13 . 1 1 4 4 GLY CA C 4 45.333 45.333 45.256 0.077 25638 7442 1 13 . 1 1 4 4 GLY H H 4 8.349 8.349 8.855 -0.506 25638 7443 1 13 . 1 1 5 5 SER N N 5 115.481 115.481 115.487 -0.006 25638 7444 1 13 . 1 1 5 5 SER HA H 5 4.513 4.513 4.561 -0.048 25638 7445 1 13 . 1 1 5 5 SER C C 5 174.667 174.667 174.161 0.506 25638 7446 1 13 . 1 1 5 5 SER CA C 5 57.801 57.801 57.703 0.098 25638 7447 1 13 . 1 1 5 5 SER CB C 5 64.536 64.536 65.517 -0.981 25638 7448 1 13 . 1 1 5 5 SER H H 5 8.119 8.119 7.815 0.304 25638 7449 1 13 . 1 1 6 6 LEU N N 6 121.895 121.895 121.848 0.047 25638 7450 1 13 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.057 0.597 25638 7451 1 13 . 1 1 6 6 LEU C C 6 177.932 177.932 176.114 1.818 25638 7452 1 13 . 1 1 6 6 LEU CA C 6 53.922 53.922 55.018 -1.096 25638 7453 1 13 . 1 1 6 6 LEU CB C 6 44.606 44.606 41.078 3.528 25638 7454 1 13 . 1 1 6 6 LEU H H 6 8.319 8.319 8.557 -0.238 25638 7455 1 13 . 1 1 7 7 ASP N N 7 121.978 121.978 121.525 0.453 25638 7456 1 13 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.581 0.025 25638 7457 1 13 . 1 1 7 7 ASP C C 7 176.477 176.477 177.285 -0.808 25638 7458 1 13 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.630 -1.412 25638 7459 1 13 . 1 1 7 7 ASP CB C 7 40.958 40.958 43.212 -2.254 25638 7460 1 13 . 1 1 7 7 ASP H H 7 8.318 8.318 8.556 -0.238 25638 7461 1 13 . 1 1 8 8 GLN N N 8 119.885 119.885 122.402 -2.517 25638 7462 1 13 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.063 0.023 25638 7463 1 13 . 1 1 8 8 GLN C C 8 179.710 179.710 177.961 1.749 25638 7464 1 13 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.146 0.679 25638 7465 1 13 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.523 -0.039 25638 7466 1 13 . 1 1 8 8 GLN H H 8 8.746 8.746 8.863 -0.117 25638 7467 1 13 . 1 1 9 9 LYS N N 9 120.863 120.863 119.989 0.874 25638 7468 1 13 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.019 0.178 25638 7469 1 13 . 1 1 9 9 LYS C C 9 180.333 180.333 178.743 1.590 25638 7470 1 13 . 1 1 9 9 LYS CA C 9 59.374 59.374 60.283 -0.909 25638 7471 1 13 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.560 0.397 25638 7472 1 13 . 1 1 9 9 LYS H H 9 8.454 8.454 8.556 -0.102 25638 7473 1 13 . 1 1 10 10 THR N N 10 118.654 118.654 115.965 2.689 25638 7474 1 13 . 1 1 10 10 THR HA H 10 3.985 3.985 4.275 -0.290 25638 7475 1 13 . 1 1 10 10 THR C C 10 177.904 177.904 176.589 1.315 25638 7476 1 13 . 1 1 10 10 THR CA C 10 67.618 67.618 67.364 0.254 25638 7477 1 13 . 1 1 10 10 THR CB C 10 67.523 67.523 68.389 -0.866 25638 7478 1 13 . 1 1 10 10 THR H H 10 8.531 8.531 8.073 0.458 25638 7479 1 13 . 1 1 11 11 PHE N N 11 123.876 123.876 123.319 0.557 25638 7480 1 13 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.474 -0.480 25638 7481 1 13 . 1 1 11 11 PHE C C 11 177.676 177.676 177.713 -0.037 25638 7482 1 13 . 1 1 11 11 PHE CA C 11 63.219 63.219 60.279 2.940 25638 7483 1 13 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.898 0.448 25638 7484 1 13 . 1 1 11 11 PHE H H 11 9.296 9.296 9.062 0.234 25638 7485 1 13 . 1 1 12 12 SER N N 12 114.219 114.219 116.228 -2.009 25638 7486 1 13 . 1 1 12 12 SER HA H 12 4.151 4.151 4.154 -0.003 25638 7487 1 13 . 1 1 12 12 SER C C 12 177.922 177.922 177.095 0.827 25638 7488 1 13 . 1 1 12 12 SER CA C 12 62.899 62.899 62.046 0.853 25638 7489 1 13 . 1 1 12 12 SER CB C 12 63.194 63.194 62.925 0.270 25638 7490 1 13 . 1 1 12 12 SER H H 12 8.306 8.306 8.537 -0.231 25638 7491 1 13 . 1 1 13 13 ILE N N 13 123.613 123.613 122.573 1.040 25638 7492 1 13 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.699 0.138 25638 7493 1 13 . 1 1 13 13 ILE C C 13 179.563 179.563 177.652 1.911 25638 7494 1 13 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.450 -0.350 25638 7495 1 13 . 1 1 13 13 ILE CB C 13 38.310 38.310 38.068 0.242 25638 7496 1 13 . 1 1 13 13 ILE H H 13 7.897 7.897 8.561 -0.664 25638 7497 1 13 . 1 1 14 14 CYS N N 14 118.125 118.125 118.027 0.098 25638 7498 1 13 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.846 -0.295 25638 7499 1 13 . 1 1 14 14 CYS C C 14 176.010 176.010 176.662 -0.652 25638 7500 1 13 . 1 1 14 14 CYS CA C 14 64.572 64.572 61.880 2.692 25638 7501 1 13 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.612 1.109 25638 7502 1 13 . 1 1 14 14 CYS H H 14 8.329 8.329 8.161 0.168 25638 7503 1 13 . 1 1 15 15 LYS N N 15 118.532 118.532 120.727 -2.195 25638 7504 1 13 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.860 -0.711 25638 7505 1 13 . 1 1 15 15 LYS C C 15 179.846 179.846 178.185 1.661 25638 7506 1 13 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.036 0.696 25638 7507 1 13 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.898 0.194 25638 7508 1 13 . 1 1 15 15 LYS H H 15 8.025 8.025 7.953 0.072 25638 7509 1 13 . 1 1 16 16 GLU N N 16 118.138 118.138 117.553 0.585 25638 7510 1 13 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.026 0.001 25638 7511 1 13 . 1 1 16 16 GLU C C 16 180.959 180.959 179.180 1.779 25638 7512 1 13 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.664 0.478 25638 7513 1 13 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.880 -0.766 25638 7514 1 13 . 1 1 16 16 GLU H H 16 7.403 7.403 7.926 -0.523 25638 7515 1 13 . 1 1 17 17 ARG N N 17 117.969 117.969 117.154 0.815 25638 7516 1 13 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.043 0.020 25638 7517 1 13 . 1 1 17 17 ARG C C 17 179.544 179.544 178.793 0.751 25638 7518 1 13 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.736 0.419 25638 7519 1 13 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.312 -0.345 25638 7520 1 13 . 1 1 17 17 ARG H H 17 8.325 8.325 7.975 0.350 25638 7521 1 13 . 1 1 18 18 MET N N 18 113.332 113.332 119.119 -5.787 25638 7522 1 13 . 1 1 18 18 MET HA H 18 4.561 4.561 4.500 0.061 25638 7523 1 13 . 1 1 18 18 MET C C 18 176.890 176.890 175.524 1.366 25638 7524 1 13 . 1 1 18 18 MET CA C 18 53.377 53.377 54.018 -0.641 25638 7525 1 13 . 1 1 18 18 MET CB C 18 29.724 29.724 30.078 -0.354 25638 7526 1 13 . 1 1 18 18 MET H H 18 7.718 7.718 8.064 -0.346 25638 7527 1 13 . 1 1 19 19 ARG N N 19 123.288 123.288 121.134 2.154 25638 7528 1 13 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.447 -0.296 25638 7529 1 13 . 1 1 19 19 ARG C C 19 176.556 176.556 176.824 -0.268 25638 7530 1 13 . 1 1 19 19 ARG CA C 19 61.133 61.133 60.553 0.580 25638 7531 1 13 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.978 -0.720 25638 7532 1 13 . 1 1 19 19 ARG H H 19 7.152 7.152 7.558 -0.406 25638 7533 1 13 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.247 0.096 25638 7534 1 13 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.354 0.643 25638 7535 1 13 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.255 0.586 25638 7536 1 13 . 1 1 21 21 VAL N N 21 105.802 105.802 113.215 -7.413 25638 7537 1 13 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.045 0.776 25638 7538 1 13 . 1 1 21 21 VAL C C 21 176.261 176.261 176.756 -0.495 25638 7539 1 13 . 1 1 21 21 VAL CA C 21 59.103 59.103 61.336 -2.233 25638 7540 1 13 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.719 0.137 25638 7541 1 13 . 1 1 21 21 VAL H H 21 7.352 7.352 7.726 -0.374 25638 7542 1 13 . 1 1 22 22 LYS N N 22 122.802 122.802 122.146 0.656 25638 7543 1 13 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.810 -0.046 25638 7544 1 13 . 1 1 22 22 LYS C C 22 178.758 178.758 177.674 1.084 25638 7545 1 13 . 1 1 22 22 LYS CA C 22 60.332 60.332 59.845 0.487 25638 7546 1 13 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.154 0.061 25638 7547 1 13 . 1 1 22 22 LYS H H 22 7.640 7.640 7.455 0.185 25638 7548 1 13 . 1 1 23 23 ALA N N 23 120.067 120.067 121.321 -1.254 25638 7549 1 13 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.029 0.046 25638 7550 1 13 . 1 1 23 23 ALA C C 23 180.998 180.998 179.469 1.529 25638 7551 1 13 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.112 0.047 25638 7552 1 13 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.769 0.145 25638 7553 1 13 . 1 1 23 23 ALA H H 23 8.571 8.571 8.347 0.224 25638 7554 1 13 . 1 1 24 24 ALA N N 24 121.068 121.068 121.269 -0.201 25638 7555 1 13 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.022 0.140 25638 7556 1 13 . 1 1 24 24 ALA C C 24 180.271 180.271 179.482 0.789 25638 7557 1 13 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.501 0.255 25638 7558 1 13 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.198 -0.005 25638 7559 1 13 . 1 1 24 24 ALA H H 24 7.320 7.320 7.561 -0.241 25638 7560 1 13 . 1 1 25 25 LEU N N 25 117.214 117.214 120.370 -3.156 25638 7561 1 13 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.887 -0.176 25638 7562 1 13 . 1 1 25 25 LEU C C 25 179.524 179.524 178.963 0.561 25638 7563 1 13 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.266 -0.314 25638 7564 1 13 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.619 -0.989 25638 7565 1 13 . 1 1 25 25 LEU H H 25 7.698 7.698 8.279 -0.581 25638 7566 1 13 . 1 1 26 26 LYS N N 26 116.336 116.336 117.796 -1.460 25638 7567 1 13 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.124 0.039 25638 7568 1 13 . 1 1 26 26 LYS C C 26 179.308 179.308 178.810 0.498 25638 7569 1 13 . 1 1 26 26 LYS CA C 26 58.414 58.414 58.980 -0.566 25638 7570 1 13 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.361 -0.195 25638 7571 1 13 . 1 1 26 26 LYS H H 26 7.675 7.675 7.892 -0.217 25638 7572 1 13 . 1 1 27 27 GLN N N 27 116.118 116.118 118.968 -2.850 25638 7573 1 13 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.312 -0.037 25638 7574 1 13 . 1 1 27 27 GLN C C 27 178.679 178.679 178.145 0.534 25638 7575 1 13 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.443 -1.636 25638 7576 1 13 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.727 1.293 25638 7577 1 13 . 1 1 27 27 GLN H H 27 7.520 7.520 8.160 -0.640 25638 7578 1 13 . 1 1 28 28 LEU N N 28 121.335 121.335 118.185 3.150 25638 7579 1 13 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.322 -0.169 25638 7580 1 13 . 1 1 28 28 LEU C C 28 178.168 178.168 177.630 0.538 25638 7581 1 13 . 1 1 28 28 LEU CA C 28 58.042 58.042 56.233 1.810 25638 7582 1 13 . 1 1 28 28 LEU CB C 28 41.911 41.911 40.983 0.927 25638 7583 1 13 . 1 1 28 28 LEU H H 28 7.506 7.506 7.912 -0.406 25638 7584 1 13 . 1 1 29 29 ASP N N 29 117.486 117.486 120.963 -3.477 25638 7585 1 13 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.692 0.222 25638 7586 1 13 . 1 1 29 29 ASP C C 29 176.772 176.772 176.258 0.514 25638 7587 1 13 . 1 1 29 29 ASP CA C 29 54.126 54.126 55.803 -1.677 25638 7588 1 13 . 1 1 29 29 ASP CB C 29 42.715 42.715 42.714 0.001 25638 7589 1 13 . 1 1 29 29 ASP H H 29 8.120 8.120 8.073 0.047 25638 7590 1 13 . 1 1 30 30 ARG N N 30 119.107 119.107 121.260 -2.153 25638 7591 1 13 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.923 -0.162 25638 7592 1 13 . 1 1 30 30 ARG C C 30 173.824 173.824 174.850 -1.026 25638 7593 1 13 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.207 0.024 25638 7594 1 13 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.391 -0.080 25638 7595 1 13 . 1 1 30 30 ARG H H 30 7.701 7.701 8.453 -0.752 25638 7596 1 13 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.681 -0.415 25638 7597 1 13 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.544 0.401 25638 7598 1 13 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.601 -0.587 25638 7599 1 13 . 1 1 32 32 GLU N N 32 122.391 122.391 118.855 3.536 25638 7600 1 13 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.506 -0.318 25638 7601 1 13 . 1 1 32 32 GLU C C 32 177.401 177.401 175.319 2.082 25638 7602 1 13 . 1 1 32 32 GLU CA C 32 56.389 56.389 55.156 1.233 25638 7603 1 13 . 1 1 32 32 GLU CB C 32 30.188 30.188 31.751 -1.563 25638 7604 1 13 . 1 1 32 32 GLU H H 32 8.454 8.454 8.433 0.021 25638 7605 1 13 . 1 1 33 33 LYS N N 33 123.127 123.127 120.887 2.240 25638 7606 1 13 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.528 -0.352 25638 7607 1 13 . 1 1 33 33 LYS C C 33 178.482 178.482 176.452 2.030 25638 7608 1 13 . 1 1 33 33 LYS CA C 33 57.127 57.127 55.809 1.318 25638 7609 1 13 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.025 -0.385 25638 7610 1 13 . 1 1 33 33 LYS H H 33 8.338 8.338 8.331 0.007 25638 7611 1 13 . 1 1 34 34 GLY N N 34 109.507 109.507 108.285 1.222 25638 7612 1 13 . 1 1 34 34 GLY C C 34 175.475 175.475 174.309 1.166 25638 7613 1 13 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.367 -0.049 25638 7614 1 13 . 1 1 34 34 GLY H H 34 8.643 8.643 8.061 0.582 25638 7615 1 13 . 1 1 35 35 LEU N N 35 120.392 120.392 120.862 -0.470 25638 7616 1 13 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.506 0.009 25638 7617 1 13 . 1 1 35 35 LEU C C 35 178.797 178.797 176.678 2.119 25638 7618 1 13 . 1 1 35 35 LEU CA C 35 54.449 54.449 55.380 -0.931 25638 7619 1 13 . 1 1 35 35 LEU CB C 35 43.116 43.116 42.047 1.069 25638 7620 1 13 . 1 1 35 35 LEU H H 35 7.480 7.480 7.520 -0.040 25638 7621 1 13 . 1 1 36 36 SER N N 36 118.629 118.629 110.789 7.840 25638 7622 1 13 . 1 1 36 36 SER HA H 36 4.471 4.471 4.587 -0.116 25638 7623 1 13 . 1 1 36 36 SER C C 36 175.632 175.632 173.893 1.739 25638 7624 1 13 . 1 1 36 36 SER CA C 36 57.814 57.814 57.796 0.018 25638 7625 1 13 . 1 1 36 36 SER CB C 36 64.678 64.678 64.137 0.541 25638 7626 1 13 . 1 1 36 36 SER H H 36 8.838 8.838 7.618 1.220 25638 7627 1 13 . 1 1 37 37 GLU N N 37 122.722 122.722 123.089 -0.367 25638 7628 1 13 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.066 -0.052 25638 7629 1 13 . 1 1 37 37 GLU C C 37 179.976 179.976 178.252 1.724 25638 7630 1 13 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.639 0.939 25638 7631 1 13 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.679 -0.330 25638 7632 1 13 . 1 1 37 37 GLU H H 37 9.018 9.018 9.024 -0.006 25638 7633 1 13 . 1 1 38 38 ARG N N 38 118.418 118.418 119.722 -1.304 25638 7634 1 13 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.102 0.011 25638 7635 1 13 . 1 1 38 38 ARG C C 38 180.212 180.212 178.528 1.684 25638 7636 1 13 . 1 1 38 38 ARG CA C 38 59.448 59.448 59.412 0.036 25638 7637 1 13 . 1 1 38 38 ARG CB C 38 29.807 29.807 29.806 0.001 25638 7638 1 13 . 1 1 38 38 ARG H H 38 8.509 8.509 8.434 0.075 25638 7639 1 13 . 1 1 39 39 GLU N N 39 119.730 119.730 118.253 1.477 25638 7640 1 13 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.075 0.015 25638 7641 1 13 . 1 1 39 39 GLU C C 39 180.529 180.529 179.364 1.165 25638 7642 1 13 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.898 -1.005 25638 7643 1 13 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.888 1.669 25638 7644 1 13 . 1 1 39 39 GLU H H 39 7.761 7.761 8.601 -0.840 25638 7645 1 13 . 1 1 40 40 GLN N N 40 121.665 121.665 118.862 2.803 25638 7646 1 13 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.136 -0.092 25638 7647 1 13 . 1 1 40 40 GLN C C 40 179.760 179.760 178.612 1.148 25638 7648 1 13 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.446 0.924 25638 7649 1 13 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.352 0.136 25638 7650 1 13 . 1 1 40 40 GLN H H 40 8.871 8.871 8.169 0.702 25638 7651 1 13 . 1 1 41 41 LEU N N 41 121.002 121.002 121.190 -0.188 25638 7652 1 13 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.054 0.173 25638 7653 1 13 . 1 1 41 41 LEU C C 41 180.841 180.841 178.823 2.018 25638 7654 1 13 . 1 1 41 41 LEU CA C 41 58.290 58.290 57.954 0.336 25638 7655 1 13 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.133 0.468 25638 7656 1 13 . 1 1 41 41 LEU H H 41 8.140 8.140 8.117 0.023 25638 7657 1 13 . 1 1 42 42 GLU N N 42 119.818 119.818 119.600 0.218 25638 7658 1 13 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.904 0.330 25638 7659 1 13 . 1 1 42 42 GLU C C 42 179.603 179.603 178.537 1.066 25638 7660 1 13 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.607 -0.697 25638 7661 1 13 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.439 -0.472 25638 7662 1 13 . 1 1 42 42 GLU H H 42 7.894 7.894 8.173 -0.279 25638 7663 1 13 . 1 1 43 43 HIS N N 43 119.964 119.964 118.362 1.602 25638 7664 1 13 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.263 0.158 25638 7665 1 13 . 1 1 43 43 HIS C C 43 179.140 179.140 178.029 1.111 25638 7666 1 13 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.081 -0.268 25638 7667 1 13 . 1 1 43 43 HIS CB C 43 29.444 29.444 29.931 -0.487 25638 7668 1 13 . 1 1 43 43 HIS H H 43 8.437 8.437 8.762 -0.325 25638 7669 1 13 . 1 1 44 44 THR N N 44 117.768 117.768 116.243 1.525 25638 7670 1 13 . 1 1 44 44 THR HA H 44 3.884 3.884 4.013 -0.129 25638 7671 1 13 . 1 1 44 44 THR C C 44 179.008 179.008 176.696 2.312 25638 7672 1 13 . 1 1 44 44 THR CA C 44 67.603 67.603 67.159 0.444 25638 7673 1 13 . 1 1 44 44 THR CB C 44 68.981 68.981 68.386 0.595 25638 7674 1 13 . 1 1 44 44 THR H H 44 8.589 8.589 8.557 0.032 25638 7675 1 13 . 1 1 45 45 ARG N N 45 121.750 121.750 121.882 -0.132 25638 7676 1 13 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.085 -0.206 25638 7677 1 13 . 1 1 45 45 ARG C C 45 178.817 178.817 178.818 -0.001 25638 7678 1 13 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.494 1.365 25638 7679 1 13 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.530 1.186 25638 7680 1 13 . 1 1 45 45 ARG H H 45 8.255 8.255 7.665 0.590 25638 7681 1 13 . 1 1 46 46 GLN N N 46 116.576 116.576 118.811 -2.235 25638 7682 1 13 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.035 -0.011 25638 7683 1 13 . 1 1 46 46 GLN C C 46 181.018 181.018 178.864 2.154 25638 7684 1 13 . 1 1 46 46 GLN CA C 46 59.575 59.575 59.042 0.533 25638 7685 1 13 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.357 -0.602 25638 7686 1 13 . 1 1 46 46 GLN H H 46 8.328 8.328 8.474 -0.146 25638 7687 1 13 . 1 1 47 47 CYS N N 47 118.569 118.569 118.785 -0.216 25638 7688 1 13 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.093 -0.010 25638 7689 1 13 . 1 1 47 47 CYS C C 47 177.244 177.244 176.627 0.617 25638 7690 1 13 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.848 0.256 25638 7691 1 13 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.815 -0.752 25638 7692 1 13 . 1 1 47 47 CYS H H 47 8.029 8.029 8.072 -0.043 25638 7693 1 13 . 1 1 48 48 LEU N N 48 119.873 119.873 122.125 -2.252 25638 7694 1 13 . 1 1 48 48 LEU HA H 48 4.069 4.069 3.943 0.126 25638 7695 1 13 . 1 1 48 48 LEU C C 48 179.839 179.839 178.657 1.182 25638 7696 1 13 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.398 -0.085 25638 7697 1 13 . 1 1 48 48 LEU CB C 48 42.225 42.225 42.190 0.035 25638 7698 1 13 . 1 1 48 48 LEU H H 48 8.539 8.539 8.433 0.106 25638 7699 1 13 . 1 1 49 49 ILE N N 49 119.523 119.523 116.181 3.342 25638 7700 1 13 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.015 -0.045 25638 7701 1 13 . 1 1 49 49 ILE C C 49 178.188 178.188 177.391 0.797 25638 7702 1 13 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.951 0.259 25638 7703 1 13 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.526 0.468 25638 7704 1 13 . 1 1 49 49 ILE H H 49 8.516 8.516 8.438 0.078 25638 7705 1 13 . 1 1 50 50 LYS N N 50 118.622 118.622 119.850 -1.228 25638 7706 1 13 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.214 -0.021 25638 7707 1 13 . 1 1 50 50 LYS C C 50 181.391 181.391 178.661 2.730 25638 7708 1 13 . 1 1 50 50 LYS CA C 50 59.547 59.547 58.668 0.879 25638 7709 1 13 . 1 1 50 50 LYS CB C 50 32.590 32.590 31.919 0.671 25638 7710 1 13 . 1 1 50 50 LYS H H 50 7.522 7.522 7.479 0.043 25638 7711 1 13 . 1 1 51 51 ILE N N 51 119.288 119.288 120.536 -1.248 25638 7712 1 13 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.519 -0.070 25638 7713 1 13 . 1 1 51 51 ILE C C 51 178.384 178.384 177.752 0.632 25638 7714 1 13 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.785 -0.018 25638 7715 1 13 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.662 1.318 25638 7716 1 13 . 1 1 51 51 ILE H H 51 8.107 8.107 8.220 -0.113 25638 7717 1 13 . 1 1 52 52 GLY N N 52 108.211 108.211 107.085 1.126 25638 7718 1 13 . 1 1 52 52 GLY C C 52 178.168 178.168 175.809 2.359 25638 7719 1 13 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.556 0.508 25638 7720 1 13 . 1 1 52 52 GLY H H 52 9.224 9.224 8.019 1.205 25638 7721 1 13 . 1 1 53 53 ASP N N 53 124.013 124.013 123.425 0.588 25638 7722 1 13 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.428 0.106 25638 7723 1 13 . 1 1 53 53 ASP C C 53 179.976 179.976 178.402 1.574 25638 7724 1 13 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.839 -0.211 25638 7725 1 13 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.777 -1.495 25638 7726 1 13 . 1 1 53 53 ASP H H 53 9.091 9.091 8.448 0.643 25638 7727 1 13 . 1 1 54 54 HIS N N 54 121.598 121.598 118.786 2.812 25638 7728 1 13 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.195 0.211 25638 7729 1 13 . 1 1 54 54 HIS C C 54 178.982 178.982 177.672 1.310 25638 7730 1 13 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.710 0.750 25638 7731 1 13 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.631 1.936 25638 7732 1 13 . 1 1 54 54 HIS H H 54 7.664 7.664 7.942 -0.278 25638 7733 1 13 . 1 1 55 55 ILE N N 55 121.892 121.892 119.367 2.525 25638 7734 1 13 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.431 -0.247 25638 7735 1 13 . 1 1 55 55 ILE C C 55 178.188 178.188 177.596 0.592 25638 7736 1 13 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.326 2.351 25638 7737 1 13 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.393 -0.149 25638 7738 1 13 . 1 1 55 55 ILE H H 55 8.255 8.255 8.153 0.102 25638 7739 1 13 . 1 1 56 56 THR N N 56 115.458 115.458 116.931 -1.473 25638 7740 1 13 . 1 1 56 56 THR HA H 56 3.759 3.759 3.805 -0.046 25638 7741 1 13 . 1 1 56 56 THR C C 56 180.195 180.195 176.929 3.266 25638 7742 1 13 . 1 1 56 56 THR CA C 56 67.551 67.551 67.328 0.223 25638 7743 1 13 . 1 1 56 56 THR CB C 56 68.756 68.756 68.517 0.239 25638 7744 1 13 . 1 1 56 56 THR H H 56 8.047 8.047 7.907 0.140 25638 7745 1 13 . 1 1 57 57 GLU N N 57 121.544 121.544 120.306 1.238 25638 7746 1 13 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.028 -0.074 25638 7747 1 13 . 1 1 57 57 GLU C C 57 180.979 180.979 178.054 2.925 25638 7748 1 13 . 1 1 57 57 GLU CA C 57 59.379 59.379 58.565 0.814 25638 7749 1 13 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.495 -0.755 25638 7750 1 13 . 1 1 57 57 GLU H H 57 7.591 7.591 8.448 -0.857 25638 7751 1 13 . 1 1 58 58 CYS N N 58 118.970 118.970 117.785 1.185 25638 7752 1 13 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.125 -0.185 25638 7753 1 13 . 1 1 58 58 CYS C C 58 178.089 178.089 176.575 1.514 25638 7754 1 13 . 1 1 58 58 CYS CA C 58 63.222 63.222 61.706 1.516 25638 7755 1 13 . 1 1 58 58 CYS CB C 58 26.562 26.562 28.654 -2.092 25638 7756 1 13 . 1 1 58 58 CYS H H 58 8.206 8.206 7.390 0.816 25638 7757 1 13 . 1 1 59 59 LEU N N 59 116.873 116.873 121.695 -4.822 25638 7758 1 13 . 1 1 59 59 LEU HA H 59 4.251 4.251 3.995 0.256 25638 7759 1 13 . 1 1 59 59 LEU C C 59 179.033 179.033 178.812 0.221 25638 7760 1 13 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.771 -1.732 25638 7761 1 13 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.245 -0.208 25638 7762 1 13 . 1 1 59 59 LEU H H 59 7.726 7.726 8.515 -0.789 25638 7763 1 13 . 1 1 60 60 LYS N N 60 117.911 117.911 117.230 0.681 25638 7764 1 13 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.033 0.098 25638 7765 1 13 . 1 1 60 60 LYS C C 60 177.912 177.912 177.424 0.488 25638 7766 1 13 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.204 0.333 25638 7767 1 13 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.609 0.781 25638 7768 1 13 . 1 1 60 60 LYS H H 60 7.298 7.298 7.878 -0.580 25638 7769 1 13 . 1 1 61 61 GLU N N 61 115.507 115.507 117.903 -2.396 25638 7770 1 13 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.956 -0.067 25638 7771 1 13 . 1 1 61 61 GLU C C 61 176.576 176.576 177.067 -0.491 25638 7772 1 13 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.592 -0.541 25638 7773 1 13 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.820 -0.087 25638 7774 1 13 . 1 1 61 61 GLU H H 61 7.084 7.084 7.422 -0.338 25638 7775 1 13 . 1 1 62 62 TYR N N 62 118.581 118.581 118.972 -0.391 25638 7776 1 13 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.511 0.195 25638 7777 1 13 . 1 1 62 62 TYR C C 62 175.935 175.935 176.781 -0.846 25638 7778 1 13 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.964 -0.817 25638 7779 1 13 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.387 1.998 25638 7780 1 13 . 1 1 62 62 TYR H H 62 7.387 7.387 7.201 0.186 25638 7781 1 13 . 1 1 63 63 THR N N 63 109.064 109.064 114.555 -5.491 25638 7782 1 13 . 1 1 63 63 THR HA H 63 4.507 4.507 4.127 0.380 25638 7783 1 13 . 1 1 63 63 THR C C 63 175.888 175.888 175.407 0.481 25638 7784 1 13 . 1 1 63 63 THR CA C 63 61.684 61.684 63.277 -1.593 25638 7785 1 13 . 1 1 63 63 THR CB C 63 70.092 70.092 69.285 0.807 25638 7786 1 13 . 1 1 63 63 THR H H 63 8.471 8.471 8.308 0.163 25638 7787 1 13 . 1 1 64 64 ASN N N 64 123.204 123.204 120.429 2.775 25638 7788 1 13 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.874 0.297 25638 7789 1 13 . 1 1 64 64 ASN C C 64 175.495 175.495 175.272 0.223 25638 7790 1 13 . 1 1 64 64 ASN CA C 64 51.137 51.137 51.451 -0.314 25638 7791 1 13 . 1 1 64 64 ASN CB C 64 39.680 39.680 39.237 0.443 25638 7792 1 13 . 1 1 64 64 ASN H H 64 7.993 7.993 8.353 -0.360 25638 7793 1 13 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.465 -0.195 25638 7794 1 13 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.449 0.243 25638 7795 1 13 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.253 0.146 25638 7796 1 13 . 1 1 66 66 GLU N N 66 118.060 118.060 119.232 -1.172 25638 7797 1 13 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.172 -0.040 25638 7798 1 13 . 1 1 66 66 GLU C C 66 180.409 180.409 178.946 1.463 25638 7799 1 13 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.433 -0.059 25638 7800 1 13 . 1 1 66 66 GLU CB C 66 28.803 28.803 29.006 -0.203 25638 7801 1 13 . 1 1 66 66 GLU H H 66 8.297 8.297 8.815 -0.518 25638 7802 1 13 . 1 1 67 67 GLN N N 67 120.531 120.531 119.407 1.124 25638 7803 1 13 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.969 0.198 25638 7804 1 13 . 1 1 67 67 GLN C C 67 179.072 179.072 178.585 0.487 25638 7805 1 13 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.460 -0.632 25638 7806 1 13 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.547 0.696 25638 7807 1 13 . 1 1 67 67 GLN H H 67 7.738 7.738 8.129 -0.391 25638 7808 1 13 . 1 1 68 68 ILE N N 68 119.632 119.632 117.477 2.155 25638 7809 1 13 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.949 -0.401 25638 7810 1 13 . 1 1 68 68 ILE C C 68 178.109 178.109 177.964 0.145 25638 7811 1 13 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.262 1.335 25638 7812 1 13 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.542 1.397 25638 7813 1 13 . 1 1 68 68 ILE H H 68 7.956 7.956 8.512 -0.556 25638 7814 1 13 . 1 1 69 69 LYS N N 69 117.236 117.236 119.976 -2.740 25638 7815 1 13 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.043 -0.114 25638 7816 1 13 . 1 1 69 69 LYS C C 69 180.271 180.271 178.944 1.327 25638 7817 1 13 . 1 1 69 69 LYS CA C 69 59.921 59.921 58.893 1.028 25638 7818 1 13 . 1 1 69 69 LYS CB C 69 32.607 32.607 31.927 0.679 25638 7819 1 13 . 1 1 69 69 LYS H H 69 7.665 7.665 7.876 -0.211 25638 7820 1 13 . 1 1 70 70 GLN N N 70 118.748 118.748 118.480 0.268 25638 7821 1 13 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.063 -0.208 25638 7822 1 13 . 1 1 70 70 GLN C C 70 179.131 179.131 178.219 0.912 25638 7823 1 13 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.502 -0.250 25638 7824 1 13 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.669 0.008 25638 7825 1 13 . 1 1 70 70 GLN H H 70 7.787 7.787 7.975 -0.188 25638 7826 1 13 . 1 1 71 71 TRP N N 71 118.896 118.896 120.481 -1.585 25638 7827 1 13 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.269 -0.226 25638 7828 1 13 . 1 1 71 71 TRP C C 71 178.679 178.679 178.880 -0.201 25638 7829 1 13 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.200 1.749 25638 7830 1 13 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.214 -0.970 25638 7831 1 13 . 1 1 71 71 TRP H H 71 8.374 8.374 8.366 0.008 25638 7832 1 13 . 1 1 72 72 ARG N N 72 122.698 122.698 117.743 4.955 25638 7833 1 13 . 1 1 72 72 ARG HA H 72 3.819 3.819 4.079 -0.260 25638 7834 1 13 . 1 1 72 72 ARG C C 72 178.561 178.561 178.256 0.305 25638 7835 1 13 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.441 1.591 25638 7836 1 13 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.072 0.197 25638 7837 1 13 . 1 1 72 72 ARG H H 72 8.808 8.808 8.402 0.406 25638 7838 1 13 . 1 1 73 73 LYS N N 73 116.946 116.946 117.192 -0.246 25638 7839 1 13 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.579 -0.399 25638 7840 1 13 . 1 1 73 73 LYS C C 73 179.622 179.622 177.653 1.969 25638 7841 1 13 . 1 1 73 73 LYS CA C 73 59.535 59.535 58.525 1.010 25638 7842 1 13 . 1 1 73 73 LYS CB C 73 31.715 31.715 33.392 -1.677 25638 7843 1 13 . 1 1 73 73 LYS H H 73 7.380 7.380 7.890 -0.510 25638 7844 1 13 . 1 1 74 74 ASN N N 74 116.434 116.434 120.311 -3.877 25638 7845 1 13 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.470 -0.193 25638 7846 1 13 . 1 1 74 74 ASN C C 74 178.148 178.148 177.741 0.407 25638 7847 1 13 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.512 -0.649 25638 7848 1 13 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.398 -0.364 25638 7849 1 13 . 1 1 74 74 ASN H H 74 8.309 8.309 8.324 -0.015 25638 7850 1 13 . 1 1 75 75 LEU N N 75 118.967 118.967 119.449 -0.482 25638 7851 1 13 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.065 0.060 25638 7852 1 13 . 1 1 75 75 LEU C C 75 180.251 180.251 178.773 1.478 25638 7853 1 13 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.608 0.219 25638 7854 1 13 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.783 -0.799 25638 7855 1 13 . 1 1 75 75 LEU H H 75 8.635 8.635 8.300 0.335 25638 7856 1 13 . 1 1 76 76 TRP N N 76 118.544 118.544 118.562 -0.018 25638 7857 1 13 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.312 0.267 25638 7858 1 13 . 1 1 76 76 TRP C C 76 180.900 180.900 179.004 1.896 25638 7859 1 13 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.270 1.146 25638 7860 1 13 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.311 -0.214 25638 7861 1 13 . 1 1 76 76 TRP H H 76 8.006 8.006 7.759 0.247 25638 7862 1 13 . 1 1 77 77 ILE N N 77 121.982 121.982 119.610 2.372 25638 7863 1 13 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.724 0.107 25638 7864 1 13 . 1 1 77 77 ILE C C 77 181.254 181.254 178.147 3.107 25638 7865 1 13 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.148 0.893 25638 7866 1 13 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.068 -0.718 25638 7867 1 13 . 1 1 77 77 ILE H H 77 8.893 8.893 8.511 0.382 25638 7868 1 13 . 1 1 78 78 PHE N N 78 123.458 123.458 121.506 1.952 25638 7869 1 13 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.097 -0.053 25638 7870 1 13 . 1 1 78 78 PHE C C 78 177.618 177.618 177.591 0.027 25638 7871 1 13 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.535 1.545 25638 7872 1 13 . 1 1 78 78 PHE CB C 78 38.710 38.710 38.911 -0.201 25638 7873 1 13 . 1 1 78 78 PHE H H 78 8.753 8.753 8.265 0.488 25638 7874 1 13 . 1 1 79 79 VAL N N 79 117.726 117.726 119.330 -1.604 25638 7875 1 13 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.550 -0.071 25638 7876 1 13 . 1 1 79 79 VAL C C 79 178.876 178.876 178.376 0.500 25638 7877 1 13 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.747 0.066 25638 7878 1 13 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.304 0.268 25638 7879 1 13 . 1 1 79 79 VAL H H 79 8.232 8.232 8.365 -0.133 25638 7880 1 13 . 1 1 80 80 SER N N 80 114.568 114.568 116.949 -2.381 25638 7881 1 13 . 1 1 80 80 SER HA H 80 4.339 4.339 4.262 0.077 25638 7882 1 13 . 1 1 80 80 SER C C 80 176.261 176.261 176.342 -0.081 25638 7883 1 13 . 1 1 80 80 SER CA C 80 61.337 61.337 61.339 -0.002 25638 7884 1 13 . 1 1 80 80 SER CB C 80 62.712 62.712 62.636 0.076 25638 7885 1 13 . 1 1 80 80 SER H H 80 8.353 8.353 8.141 0.212 25638 7886 1 13 . 1 1 81 81 LYS N N 81 121.180 121.180 119.840 1.340 25638 7887 1 13 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.020 0.178 25638 7888 1 13 . 1 1 81 81 LYS C C 81 178.305 178.305 176.707 1.598 25638 7889 1 13 . 1 1 81 81 LYS CA C 81 57.104 57.104 57.292 -0.188 25638 7890 1 13 . 1 1 81 81 LYS CB C 81 30.659 30.659 31.575 -0.916 25638 7891 1 13 . 1 1 81 81 LYS H H 81 7.481 7.481 7.452 0.029 25638 7892 1 13 . 1 1 82 82 PHE N N 82 117.950 117.950 116.752 1.198 25638 7893 1 13 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.702 -0.305 25638 7894 1 13 . 1 1 82 82 PHE C C 82 174.787 174.787 174.687 0.100 25638 7895 1 13 . 1 1 82 82 PHE CA C 82 58.398 58.398 57.150 1.248 25638 7896 1 13 . 1 1 82 82 PHE CB C 82 38.937 38.937 39.666 -0.729 25638 7897 1 13 . 1 1 82 82 PHE H H 82 8.256 8.256 7.914 0.342 25638 7898 1 13 . 1 1 83 83 THR N N 83 109.995 109.995 112.593 -2.598 25638 7899 1 13 . 1 1 83 83 THR HA H 83 4.988 4.988 4.666 0.322 25638 7900 1 13 . 1 1 83 83 THR C C 83 174.138 174.138 173.905 0.233 25638 7901 1 13 . 1 1 83 83 THR CA C 83 59.609 59.609 60.131 -0.522 25638 7902 1 13 . 1 1 83 83 THR CB C 83 71.080 71.080 70.540 0.540 25638 7903 1 13 . 1 1 83 83 THR H H 83 7.665 7.665 7.768 -0.103 25638 7904 1 13 . 1 1 84 84 GLU N N 84 119.416 119.416 120.373 -0.957 25638 7905 1 13 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.160 0.235 25638 7906 1 13 . 1 1 84 84 GLU C C 84 177.912 177.912 176.778 1.134 25638 7907 1 13 . 1 1 84 84 GLU CA C 84 56.496 56.496 58.173 -1.677 25638 7908 1 13 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.857 -0.335 25638 7909 1 13 . 1 1 84 84 GLU H H 84 8.409 8.409 8.669 -0.260 25638 7910 1 13 . 1 1 85 85 PHE N N 85 120.265 120.265 120.104 0.161 25638 7911 1 13 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.634 0.257 25638 7912 1 13 . 1 1 85 85 PHE C C 85 175.809 175.809 174.930 0.879 25638 7913 1 13 . 1 1 85 85 PHE CA C 85 56.109 56.109 56.834 -0.725 25638 7914 1 13 . 1 1 85 85 PHE CB C 85 41.188 41.188 38.996 2.192 25638 7915 1 13 . 1 1 85 85 PHE H H 85 8.210 8.210 7.608 0.602 25638 7916 1 13 . 1 1 86 86 ASP N N 86 118.128 118.128 124.415 -6.287 25638 7917 1 13 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.464 0.272 25638 7918 1 13 . 1 1 86 86 ASP C C 86 176.986 176.986 177.411 -0.425 25638 7919 1 13 . 1 1 86 86 ASP CA C 86 53.183 53.183 56.280 -3.097 25638 7920 1 13 . 1 1 86 86 ASP CB C 86 42.533 42.533 41.838 0.695 25638 7921 1 13 . 1 1 86 86 ASP H H 86 8.119 8.119 8.389 -0.270 25638 7922 1 13 . 1 1 87 87 ALA N N 87 121.912 121.912 124.007 -2.095 25638 7923 1 13 . 1 1 87 87 ALA HA H 87 3.989 3.989 3.915 0.074 25638 7924 1 13 . 1 1 87 87 ALA C C 87 180.378 180.378 178.518 1.860 25638 7925 1 13 . 1 1 87 87 ALA CA C 87 56.075 56.075 54.832 1.243 25638 7926 1 13 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.811 1.396 25638 7927 1 13 . 1 1 87 87 ALA H H 87 8.757 8.757 8.308 0.449 25638 7928 1 13 . 1 1 88 88 ARG N N 88 117.072 117.072 118.797 -1.725 25638 7929 1 13 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.031 -0.075 25638 7930 1 13 . 1 1 88 88 ARG C C 88 179.975 179.975 178.167 1.808 25638 7931 1 13 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.243 0.009 25638 7932 1 13 . 1 1 88 88 ARG CB C 88 29.613 29.613 30.150 -0.537 25638 7933 1 13 . 1 1 88 88 ARG H H 88 8.147 8.147 8.196 -0.049 25638 7934 1 13 . 1 1 89 89 LYS N N 89 121.809 121.809 120.122 1.687 25638 7935 1 13 . 1 1 89 89 LYS HA H 89 3.909 3.909 3.997 -0.088 25638 7936 1 13 . 1 1 89 89 LYS C C 89 179.505 179.505 179.126 0.379 25638 7937 1 13 . 1 1 89 89 LYS CA C 89 58.986 58.986 59.455 -0.469 25638 7938 1 13 . 1 1 89 89 LYS CB C 89 32.334 32.334 31.856 0.478 25638 7939 1 13 . 1 1 89 89 LYS H H 89 8.022 8.022 7.745 0.277 25638 7940 1 13 . 1 1 90 90 LEU N N 90 118.429 118.429 119.104 -0.675 25638 7941 1 13 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.923 -0.179 25638 7942 1 13 . 1 1 90 90 LEU C C 90 178.069 178.069 178.079 -0.010 25638 7943 1 13 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.484 -0.441 25638 7944 1 13 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.609 0.853 25638 7945 1 13 . 1 1 90 90 LEU H H 90 8.139 8.139 8.541 -0.402 25638 7946 1 13 . 1 1 91 91 HIS N N 91 117.214 117.214 116.945 0.269 25638 7947 1 13 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.520 0.459 25638 7948 1 13 . 1 1 91 91 HIS C C 91 178.069 178.069 177.308 0.761 25638 7949 1 13 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.535 -0.357 25638 7950 1 13 . 1 1 91 91 HIS CB C 91 29.428 29.428 28.730 0.698 25638 7951 1 13 . 1 1 91 91 HIS H H 91 7.379 7.379 7.370 0.009 25638 7952 1 13 . 1 1 92 92 LYS N N 92 118.466 118.466 119.811 -1.345 25638 7953 1 13 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.864 -0.229 25638 7954 1 13 . 1 1 92 92 LYS C C 92 180.310 180.310 179.094 1.216 25638 7955 1 13 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.961 -0.037 25638 7956 1 13 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.394 -0.029 25638 7957 1 13 . 1 1 92 92 LYS H H 92 7.599 7.599 7.713 -0.114 25638 7958 1 13 . 1 1 93 93 LEU N N 93 120.752 120.752 120.027 0.725 25638 7959 1 13 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.768 0.215 25638 7960 1 13 . 1 1 93 93 LEU C C 93 181.269 181.269 179.022 2.247 25638 7961 1 13 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.198 -0.198 25638 7962 1 13 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.709 0.630 25638 7963 1 13 . 1 1 93 93 LEU H H 93 8.351 8.351 8.413 -0.062 25638 7964 1 13 . 1 1 94 94 TYR N N 94 122.311 122.311 120.062 2.249 25638 7965 1 13 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.074 0.062 25638 7966 1 13 . 1 1 94 94 TYR C C 94 176.789 176.789 177.278 -0.489 25638 7967 1 13 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.407 -0.107 25638 7968 1 13 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.461 0.117 25638 7969 1 13 . 1 1 94 94 TYR H H 94 8.290 8.290 8.480 -0.190 25638 7970 1 13 . 1 1 95 95 LYS N N 95 117.851 117.851 118.233 -0.382 25638 7971 1 13 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.561 -0.135 25638 7972 1 13 . 1 1 95 95 LYS C C 95 180.684 180.684 178.875 1.809 25638 7973 1 13 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.651 -0.272 25638 7974 1 13 . 1 1 95 95 LYS CB C 95 31.248 31.248 31.834 -0.586 25638 7975 1 13 . 1 1 95 95 LYS H H 95 8.180 8.180 8.219 -0.039 25638 7976 1 13 . 1 1 96 96 HIS N N 96 117.611 117.611 119.736 -2.125 25638 7977 1 13 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.243 -0.030 25638 7978 1 13 . 1 1 96 96 HIS C C 96 178.266 178.266 177.225 1.041 25638 7979 1 13 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.637 -0.363 25638 7980 1 13 . 1 1 96 96 HIS CB C 96 30.203 30.203 30.056 0.147 25638 7981 1 13 . 1 1 96 96 HIS H H 96 8.049 8.049 8.138 -0.089 25638 7982 1 13 . 1 1 97 97 ALA N N 97 122.617 122.617 122.456 0.161 25638 7983 1 13 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.081 0.010 25638 7984 1 13 . 1 1 97 97 ALA C C 97 181.352 181.352 179.579 1.773 25638 7985 1 13 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.164 -0.519 25638 7986 1 13 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.239 -0.470 25638 7987 1 13 . 1 1 97 97 ALA H H 97 8.104 8.104 8.002 0.102 25638 7988 1 13 . 1 1 98 98 ILE N N 98 111.626 111.626 119.135 -7.509 25638 7989 1 13 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.539 0.570 25638 7990 1 13 . 1 1 98 98 ILE C C 98 178.561 178.561 177.461 1.100 25638 7991 1 13 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.722 -1.992 25638 7992 1 13 . 1 1 98 98 ILE CB C 98 37.646 37.646 38.063 -0.417 25638 7993 1 13 . 1 1 98 98 ILE H H 98 7.636 7.636 7.868 -0.232 25638 7994 1 13 . 1 1 99 99 LYS N N 99 124.158 124.158 118.649 5.509 25638 7995 1 13 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.952 0.093 25638 7996 1 13 . 1 1 99 99 LYS C C 99 179.111 179.111 178.753 0.358 25638 7997 1 13 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.023 0.047 25638 7998 1 13 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.031 0.141 25638 7999 1 13 . 1 1 99 99 LYS H H 99 7.359 7.359 8.181 -0.822 25638 8000 1 13 . 1 1 100 100 LYS N N 100 118.333 118.333 118.863 -0.530 25638 8001 1 13 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.070 0.073 25638 8002 1 13 . 1 1 100 100 LYS C C 100 179.111 179.111 178.751 0.360 25638 8003 1 13 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.501 -1.289 25638 8004 1 13 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.379 -0.637 25638 8005 1 13 . 1 1 100 100 LYS H H 100 7.937 7.937 7.907 0.030 25638 8006 1 13 . 1 1 101 101 ARG N N 101 121.125 121.125 117.342 3.783 25638 8007 1 13 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.138 -0.009 25638 8008 1 13 . 1 1 101 101 ARG C C 101 178.541 178.541 176.303 2.238 25638 8009 1 13 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.701 1.465 25638 8010 1 13 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.553 0.038 25638 8011 1 13 . 1 1 101 101 ARG H H 101 7.895 7.895 7.805 0.090 25638 8012 1 13 . 1 1 102 102 GLN N N 102 119.756 119.756 116.913 2.843 25638 8013 1 13 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.059 0.148 25638 8014 1 13 . 1 1 102 102 GLN C C 102 178.129 178.129 174.426 3.703 25638 8015 1 13 . 1 1 102 102 GLN CA C 102 56.912 56.912 57.063 -0.151 25638 8016 1 13 . 1 1 102 102 GLN CB C 102 28.921 28.921 28.562 0.359 25638 8017 1 13 . 1 1 102 102 GLN H H 102 8.167 8.167 8.188 -0.022 25638 8018 1 13 . 1 1 103 103 GLU N N 103 120.553 120.553 118.132 2.421 25638 8019 1 13 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.500 -0.300 25638 8020 1 13 . 1 1 103 103 GLU C C 103 178.286 178.286 175.661 2.625 25638 8021 1 13 . 1 1 103 103 GLU CA C 103 57.505 57.505 55.869 1.636 25638 8022 1 13 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.964 -0.040 25638 8023 1 13 . 1 1 103 103 GLU H H 103 8.189 8.189 8.613 -0.424 25638 8024 1 13 . 1 1 104 104 SER N N 104 115.381 115.381 117.435 -2.054 25638 8025 1 13 . 1 1 104 104 SER HA H 104 4.431 4.431 4.492 -0.061 25638 8026 1 13 . 1 1 104 104 SER C C 104 175.750 175.750 174.416 1.334 25638 8027 1 13 . 1 1 104 104 SER CA C 104 59.154 59.154 58.276 0.878 25638 8028 1 13 . 1 1 104 104 SER CB C 104 63.456 63.456 63.810 -0.354 25638 8029 1 13 . 1 1 104 104 SER H H 104 8.099 8.099 7.950 0.149 25638 8030 1 13 . 1 1 105 105 GLN N N 105 121.635 121.635 121.372 0.263 25638 8031 1 13 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.286 0.049 25638 8032 1 13 . 1 1 105 105 GLN C C 105 177.008 177.008 176.198 0.810 25638 8033 1 13 . 1 1 105 105 GLN CA C 105 56.053 56.053 55.883 0.170 25638 8034 1 13 . 1 1 105 105 GLN CB C 105 29.128 29.128 28.659 0.469 25638 8035 1 13 . 1 1 105 105 GLN H H 105 8.170 8.170 8.492 -0.322 25638 8036 1 13 . 1 1 106 106 GLN N N 106 120.850 120.850 122.261 -1.411 25638 8037 1 13 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.169 0.162 25638 8038 1 13 . 1 1 106 106 GLN C C 106 176.713 176.713 175.815 0.898 25638 8039 1 13 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.378 0.573 25638 8040 1 13 . 1 1 106 106 GLN CB C 106 29.254 29.254 29.241 0.013 25638 8041 1 13 . 1 1 106 106 GLN H H 106 8.281 8.281 8.522 -0.241 25638 8042 1 13 . 1 1 107 107 ASN N N 107 120.271 120.271 118.446 1.825 25638 8043 1 13 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.691 0.099 25638 8044 1 13 . 1 1 107 107 ASN C C 107 175.337 175.337 175.564 -0.227 25638 8045 1 13 . 1 1 107 107 ASN CA C 107 53.353 53.353 52.999 0.353 25638 8046 1 13 . 1 1 107 107 ASN CB C 107 39.094 39.094 38.939 0.155 25638 8047 1 13 . 1 1 107 107 ASN H H 107 8.434 8.434 8.544 -0.110 25638 8048 1 14 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.382 0.063 25638 8049 1 14 . 1 1 2 2 PRO C C 2 178.089 178.089 176.001 2.088 25638 8050 1 14 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.738 0.568 25638 8051 1 14 . 1 1 2 2 PRO CB C 2 32.468 32.468 30.095 2.373 25638 8052 1 14 . 1 1 3 3 LEU N N 3 122.239 122.239 123.125 -0.886 25638 8053 1 14 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.237 0.060 25638 8054 1 14 . 1 1 3 3 LEU C C 3 178.876 178.876 178.144 0.732 25638 8055 1 14 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.649 0.880 25638 8056 1 14 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.333 -0.183 25638 8057 1 14 . 1 1 3 3 LEU H H 3 8.522 8.522 7.927 0.595 25638 8058 1 14 . 1 1 4 4 GLY N N 4 109.572 109.572 110.966 -1.394 25638 8059 1 14 . 1 1 4 4 GLY C C 4 174.630 174.630 173.865 0.765 25638 8060 1 14 . 1 1 4 4 GLY CA C 4 45.333 45.333 46.034 -0.701 25638 8061 1 14 . 1 1 4 4 GLY H H 4 8.349 8.349 8.877 -0.528 25638 8062 1 14 . 1 1 5 5 SER N N 5 115.481 115.481 120.812 -5.331 25638 8063 1 14 . 1 1 5 5 SER HA H 5 4.513 4.513 4.554 -0.041 25638 8064 1 14 . 1 1 5 5 SER C C 5 174.667 174.667 173.914 0.753 25638 8065 1 14 . 1 1 5 5 SER CA C 5 57.801 57.801 58.509 -0.708 25638 8066 1 14 . 1 1 5 5 SER CB C 5 64.536 64.536 64.228 0.308 25638 8067 1 14 . 1 1 5 5 SER H H 5 8.119 8.119 8.125 -0.006 25638 8068 1 14 . 1 1 6 6 LEU N N 6 121.895 121.895 125.060 -3.165 25638 8069 1 14 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.537 0.117 25638 8070 1 14 . 1 1 6 6 LEU C C 6 177.932 177.932 175.866 2.066 25638 8071 1 14 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.354 -0.432 25638 8072 1 14 . 1 1 6 6 LEU CB C 6 44.606 44.606 43.601 1.005 25638 8073 1 14 . 1 1 6 6 LEU H H 6 8.319 8.319 8.046 0.273 25638 8074 1 14 . 1 1 7 7 ASP N N 7 121.978 121.978 123.055 -1.077 25638 8075 1 14 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.515 0.091 25638 8076 1 14 . 1 1 7 7 ASP C C 7 176.477 176.477 177.097 -0.620 25638 8077 1 14 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.590 -1.372 25638 8078 1 14 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.631 -1.673 25638 8079 1 14 . 1 1 7 7 ASP H H 7 8.318 8.318 8.462 -0.144 25638 8080 1 14 . 1 1 8 8 GLN N N 8 119.885 119.885 120.849 -0.964 25638 8081 1 14 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.136 -0.050 25638 8082 1 14 . 1 1 8 8 GLN C C 8 179.710 179.710 178.381 1.329 25638 8083 1 14 . 1 1 8 8 GLN CA C 8 59.825 59.825 60.044 -0.219 25638 8084 1 14 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.840 -0.356 25638 8085 1 14 . 1 1 8 8 GLN H H 8 8.746 8.746 8.836 -0.090 25638 8086 1 14 . 1 1 9 9 LYS N N 9 120.863 120.863 120.144 0.719 25638 8087 1 14 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.037 0.160 25638 8088 1 14 . 1 1 9 9 LYS C C 9 180.333 180.333 178.908 1.425 25638 8089 1 14 . 1 1 9 9 LYS CA C 9 59.374 59.374 60.504 -1.130 25638 8090 1 14 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.891 0.066 25638 8091 1 14 . 1 1 9 9 LYS H H 9 8.454 8.454 8.620 -0.166 25638 8092 1 14 . 1 1 10 10 THR N N 10 118.654 118.654 116.169 2.485 25638 8093 1 14 . 1 1 10 10 THR HA H 10 3.985 3.985 4.306 -0.321 25638 8094 1 14 . 1 1 10 10 THR C C 10 177.904 177.904 176.818 1.086 25638 8095 1 14 . 1 1 10 10 THR CA C 10 67.618 67.618 66.761 0.856 25638 8096 1 14 . 1 1 10 10 THR CB C 10 67.523 67.523 68.553 -1.030 25638 8097 1 14 . 1 1 10 10 THR H H 10 8.531 8.531 7.978 0.553 25638 8098 1 14 . 1 1 11 11 PHE N N 11 123.876 123.876 123.297 0.579 25638 8099 1 14 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.293 -0.299 25638 8100 1 14 . 1 1 11 11 PHE C C 11 177.676 177.676 177.092 0.584 25638 8101 1 14 . 1 1 11 11 PHE CA C 11 63.219 63.219 60.046 3.173 25638 8102 1 14 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.786 0.560 25638 8103 1 14 . 1 1 11 11 PHE H H 11 9.296 9.296 8.902 0.394 25638 8104 1 14 . 1 1 12 12 SER N N 12 114.219 114.219 116.399 -2.180 25638 8105 1 14 . 1 1 12 12 SER HA H 12 4.151 4.151 3.982 0.169 25638 8106 1 14 . 1 1 12 12 SER C C 12 177.922 177.922 176.900 1.022 25638 8107 1 14 . 1 1 12 12 SER CA C 12 62.899 62.899 62.084 0.815 25638 8108 1 14 . 1 1 12 12 SER CB C 12 63.194 63.194 63.155 0.039 25638 8109 1 14 . 1 1 12 12 SER H H 12 8.306 8.306 8.514 -0.208 25638 8110 1 14 . 1 1 13 13 ILE N N 13 123.613 123.613 122.497 1.116 25638 8111 1 14 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.626 0.211 25638 8112 1 14 . 1 1 13 13 ILE C C 13 179.563 179.563 177.429 2.134 25638 8113 1 14 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.277 -0.177 25638 8114 1 14 . 1 1 13 13 ILE CB C 13 38.310 38.310 38.014 0.296 25638 8115 1 14 . 1 1 13 13 ILE H H 13 7.897 7.897 8.586 -0.689 25638 8116 1 14 . 1 1 14 14 CYS N N 14 118.125 118.125 118.353 -0.228 25638 8117 1 14 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.663 -0.112 25638 8118 1 14 . 1 1 14 14 CYS C C 14 176.010 176.010 175.941 0.069 25638 8119 1 14 . 1 1 14 14 CYS CA C 14 64.572 64.572 64.291 0.281 25638 8120 1 14 . 1 1 14 14 CYS CB C 14 26.721 26.721 26.385 0.336 25638 8121 1 14 . 1 1 14 14 CYS H H 14 8.329 8.329 8.208 0.121 25638 8122 1 14 . 1 1 15 15 LYS N N 15 118.532 118.532 119.407 -0.875 25638 8123 1 14 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.792 -0.643 25638 8124 1 14 . 1 1 15 15 LYS C C 15 179.846 179.846 177.495 2.351 25638 8125 1 14 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.310 0.422 25638 8126 1 14 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.160 -0.068 25638 8127 1 14 . 1 1 15 15 LYS H H 15 8.025 8.025 7.033 0.992 25638 8128 1 14 . 1 1 16 16 GLU N N 16 118.138 118.138 116.663 1.475 25638 8129 1 14 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.058 -0.031 25638 8130 1 14 . 1 1 16 16 GLU C C 16 180.959 180.959 178.988 1.971 25638 8131 1 14 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.087 1.054 25638 8132 1 14 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.641 -0.528 25638 8133 1 14 . 1 1 16 16 GLU H H 16 7.403 7.403 7.526 -0.123 25638 8134 1 14 . 1 1 17 17 ARG N N 17 117.969 117.969 118.682 -0.713 25638 8135 1 14 . 1 1 17 17 ARG HA H 17 4.063 4.063 3.988 0.075 25638 8136 1 14 . 1 1 17 17 ARG C C 17 179.544 179.544 178.332 1.212 25638 8137 1 14 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.994 0.161 25638 8138 1 14 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.396 -0.429 25638 8139 1 14 . 1 1 17 17 ARG H H 17 8.325 8.325 8.185 0.140 25638 8140 1 14 . 1 1 18 18 MET N N 18 113.332 113.332 117.581 -4.249 25638 8141 1 14 . 1 1 18 18 MET HA H 18 4.561 4.561 4.473 0.088 25638 8142 1 14 . 1 1 18 18 MET C C 18 176.890 176.890 176.020 0.870 25638 8143 1 14 . 1 1 18 18 MET CA C 18 53.377 53.377 53.893 -0.516 25638 8144 1 14 . 1 1 18 18 MET CB C 18 29.724 29.724 29.516 0.208 25638 8145 1 14 . 1 1 18 18 MET H H 18 7.718 7.718 7.957 -0.239 25638 8146 1 14 . 1 1 19 19 ARG N N 19 123.288 123.288 121.912 1.376 25638 8147 1 14 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.435 -0.284 25638 8148 1 14 . 1 1 19 19 ARG C C 19 176.556 176.556 176.213 0.343 25638 8149 1 14 . 1 1 19 19 ARG CA C 19 61.133 61.133 60.753 0.380 25638 8150 1 14 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.646 -0.388 25638 8151 1 14 . 1 1 19 19 ARG H H 19 7.152 7.152 7.992 -0.840 25638 8152 1 14 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.276 0.067 25638 8153 1 14 . 1 1 20 20 PRO CA C 20 65.997 65.997 64.962 1.035 25638 8154 1 14 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.177 0.663 25638 8155 1 14 . 1 1 21 21 VAL N N 21 105.802 105.802 111.030 -5.228 25638 8156 1 14 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.275 0.546 25638 8157 1 14 . 1 1 21 21 VAL C C 21 176.261 176.261 176.265 -0.004 25638 8158 1 14 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.062 -0.959 25638 8159 1 14 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.986 -0.130 25638 8160 1 14 . 1 1 21 21 VAL H H 21 7.352 7.352 7.585 -0.233 25638 8161 1 14 . 1 1 22 22 LYS N N 22 122.802 122.802 122.451 0.351 25638 8162 1 14 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.679 0.085 25638 8163 1 14 . 1 1 22 22 LYS C C 22 178.758 178.758 178.295 0.463 25638 8164 1 14 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.425 -0.093 25638 8165 1 14 . 1 1 22 22 LYS CB C 22 32.214 32.214 31.919 0.295 25638 8166 1 14 . 1 1 22 22 LYS H H 22 7.640 7.640 7.796 -0.156 25638 8167 1 14 . 1 1 23 23 ALA N N 23 120.067 120.067 121.401 -1.334 25638 8168 1 14 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.080 -0.005 25638 8169 1 14 . 1 1 23 23 ALA C C 23 180.998 180.998 179.500 1.498 25638 8170 1 14 . 1 1 23 23 ALA CA C 23 55.159 55.159 54.839 0.320 25638 8171 1 14 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.933 -0.019 25638 8172 1 14 . 1 1 23 23 ALA H H 23 8.571 8.571 8.266 0.305 25638 8173 1 14 . 1 1 24 24 ALA N N 24 121.068 121.068 121.566 -0.498 25638 8174 1 14 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.080 0.082 25638 8175 1 14 . 1 1 24 24 ALA C C 24 180.271 180.271 179.939 0.332 25638 8176 1 14 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.622 0.134 25638 8177 1 14 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.229 -0.036 25638 8178 1 14 . 1 1 24 24 ALA H H 24 7.320 7.320 7.441 -0.121 25638 8179 1 14 . 1 1 25 25 LEU N N 25 117.214 117.214 118.645 -1.431 25638 8180 1 14 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.801 -0.090 25638 8181 1 14 . 1 1 25 25 LEU C C 25 179.524 179.524 179.324 0.200 25638 8182 1 14 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.767 0.184 25638 8183 1 14 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.204 -0.574 25638 8184 1 14 . 1 1 25 25 LEU H H 25 7.698 7.698 8.065 -0.367 25638 8185 1 14 . 1 1 26 26 LYS N N 26 116.336 116.336 118.899 -2.563 25638 8186 1 14 . 1 1 26 26 LYS HA H 26 4.163 4.163 3.959 0.204 25638 8187 1 14 . 1 1 26 26 LYS C C 26 179.308 179.308 179.292 0.016 25638 8188 1 14 . 1 1 26 26 LYS CA C 26 58.414 58.414 60.087 -1.673 25638 8189 1 14 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.228 -0.062 25638 8190 1 14 . 1 1 26 26 LYS H H 26 7.675 7.675 7.928 -0.253 25638 8191 1 14 . 1 1 27 27 GLN N N 27 116.118 116.118 117.770 -1.652 25638 8192 1 14 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.306 -0.031 25638 8193 1 14 . 1 1 27 27 GLN C C 27 178.679 178.679 178.596 0.083 25638 8194 1 14 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.083 -1.276 25638 8195 1 14 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.355 1.665 25638 8196 1 14 . 1 1 27 27 GLN H H 27 7.520 7.520 8.244 -0.724 25638 8197 1 14 . 1 1 28 28 LEU N N 28 121.335 121.335 119.871 1.464 25638 8198 1 14 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.287 -0.134 25638 8199 1 14 . 1 1 28 28 LEU C C 28 178.168 178.168 178.836 -0.668 25638 8200 1 14 . 1 1 28 28 LEU CA C 28 58.042 58.042 57.025 1.017 25638 8201 1 14 . 1 1 28 28 LEU CB C 28 41.911 41.911 42.395 -0.484 25638 8202 1 14 . 1 1 28 28 LEU H H 28 7.506 7.506 7.890 -0.384 25638 8203 1 14 . 1 1 29 29 ASP N N 29 117.486 117.486 121.633 -4.147 25638 8204 1 14 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.552 0.362 25638 8205 1 14 . 1 1 29 29 ASP C C 29 176.772 176.772 176.797 -0.025 25638 8206 1 14 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.734 -2.608 25638 8207 1 14 . 1 1 29 29 ASP CB C 29 42.715 42.715 41.574 1.141 25638 8208 1 14 . 1 1 29 29 ASP H H 29 8.120 8.120 7.936 0.184 25638 8209 1 14 . 1 1 30 30 ARG N N 30 119.107 119.107 118.607 0.500 25638 8210 1 14 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.829 -0.068 25638 8211 1 14 . 1 1 30 30 ARG C C 30 173.824 173.824 173.935 -0.111 25638 8212 1 14 . 1 1 30 30 ARG CA C 30 53.231 53.231 52.928 0.303 25638 8213 1 14 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.988 -0.677 25638 8214 1 14 . 1 1 30 30 ARG H H 30 7.701 7.701 8.350 -0.649 25638 8215 1 14 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.699 -0.433 25638 8216 1 14 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.084 0.861 25638 8217 1 14 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.354 -0.340 25638 8218 1 14 . 1 1 32 32 GLU N N 32 122.391 122.391 121.286 1.105 25638 8219 1 14 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.335 -0.147 25638 8220 1 14 . 1 1 32 32 GLU C C 32 177.401 177.401 175.305 2.096 25638 8221 1 14 . 1 1 32 32 GLU CA C 32 56.389 56.389 55.916 0.472 25638 8222 1 14 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.765 -0.577 25638 8223 1 14 . 1 1 32 32 GLU H H 32 8.454 8.454 8.386 0.068 25638 8224 1 14 . 1 1 33 33 LYS N N 33 123.127 123.127 115.966 7.161 25638 8225 1 14 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.612 -0.436 25638 8226 1 14 . 1 1 33 33 LYS C C 33 178.482 178.482 177.083 1.399 25638 8227 1 14 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.351 0.776 25638 8228 1 14 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.299 -0.659 25638 8229 1 14 . 1 1 33 33 LYS H H 33 8.338 8.338 8.188 0.150 25638 8230 1 14 . 1 1 34 34 GLY N N 34 109.507 109.507 110.144 -0.637 25638 8231 1 14 . 1 1 34 34 GLY C C 34 175.475 175.475 173.959 1.516 25638 8232 1 14 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.189 0.129 25638 8233 1 14 . 1 1 34 34 GLY H H 34 8.643 8.643 8.644 -0.001 25638 8234 1 14 . 1 1 35 35 LEU N N 35 120.392 120.392 119.484 0.908 25638 8235 1 14 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.758 -0.243 25638 8236 1 14 . 1 1 35 35 LEU C C 35 178.797 178.797 176.602 2.195 25638 8237 1 14 . 1 1 35 35 LEU CA C 35 54.449 54.449 52.890 1.559 25638 8238 1 14 . 1 1 35 35 LEU CB C 35 43.116 43.116 44.279 -1.163 25638 8239 1 14 . 1 1 35 35 LEU H H 35 7.480 7.480 7.698 -0.218 25638 8240 1 14 . 1 1 36 36 SER N N 36 118.629 118.629 115.843 2.786 25638 8241 1 14 . 1 1 36 36 SER HA H 36 4.471 4.471 4.458 0.013 25638 8242 1 14 . 1 1 36 36 SER C C 36 175.632 175.632 175.493 0.139 25638 8243 1 14 . 1 1 36 36 SER CA C 36 57.814 57.814 58.355 -0.541 25638 8244 1 14 . 1 1 36 36 SER CB C 36 64.678 64.678 63.843 0.835 25638 8245 1 14 . 1 1 36 36 SER H H 36 8.838 8.838 8.258 0.580 25638 8246 1 14 . 1 1 37 37 GLU N N 37 122.722 122.722 122.864 -0.142 25638 8247 1 14 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.056 -0.042 25638 8248 1 14 . 1 1 37 37 GLU C C 37 179.976 179.976 179.135 0.841 25638 8249 1 14 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.858 0.720 25638 8250 1 14 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.806 -0.457 25638 8251 1 14 . 1 1 37 37 GLU H H 37 9.018 9.018 9.004 0.014 25638 8252 1 14 . 1 1 38 38 ARG N N 38 118.418 118.418 118.638 -0.220 25638 8253 1 14 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.216 -0.103 25638 8254 1 14 . 1 1 38 38 ARG C C 38 180.212 180.212 178.454 1.758 25638 8255 1 14 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.796 0.652 25638 8256 1 14 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.117 -0.310 25638 8257 1 14 . 1 1 38 38 ARG H H 38 8.509 8.509 8.447 0.062 25638 8258 1 14 . 1 1 39 39 GLU N N 39 119.730 119.730 118.970 0.760 25638 8259 1 14 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.261 -0.171 25638 8260 1 14 . 1 1 39 39 GLU C C 39 180.529 180.529 179.099 1.430 25638 8261 1 14 . 1 1 39 39 GLU CA C 39 58.893 58.893 58.877 0.016 25638 8262 1 14 . 1 1 39 39 GLU CB C 39 30.557 30.557 29.023 1.534 25638 8263 1 14 . 1 1 39 39 GLU H H 39 7.761 7.761 8.331 -0.570 25638 8264 1 14 . 1 1 40 40 GLN N N 40 121.665 121.665 119.653 2.012 25638 8265 1 14 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.129 -0.085 25638 8266 1 14 . 1 1 40 40 GLN C C 40 179.760 179.760 178.366 1.394 25638 8267 1 14 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.610 0.760 25638 8268 1 14 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.281 0.207 25638 8269 1 14 . 1 1 40 40 GLN H H 40 8.871 8.871 7.913 0.958 25638 8270 1 14 . 1 1 41 41 LEU N N 41 121.002 121.002 120.729 0.273 25638 8271 1 14 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.082 0.145 25638 8272 1 14 . 1 1 41 41 LEU C C 41 180.841 180.841 179.090 1.751 25638 8273 1 14 . 1 1 41 41 LEU CA C 41 58.290 58.290 57.976 0.314 25638 8274 1 14 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.090 0.512 25638 8275 1 14 . 1 1 41 41 LEU H H 41 8.140 8.140 7.780 0.360 25638 8276 1 14 . 1 1 42 42 GLU N N 42 119.818 119.818 118.462 1.356 25638 8277 1 14 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.971 0.263 25638 8278 1 14 . 1 1 42 42 GLU C C 42 179.603 179.603 178.395 1.208 25638 8279 1 14 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.528 -0.618 25638 8280 1 14 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.466 -0.499 25638 8281 1 14 . 1 1 42 42 GLU H H 42 7.894 7.894 7.776 0.118 25638 8282 1 14 . 1 1 43 43 HIS N N 43 119.964 119.964 118.740 1.224 25638 8283 1 14 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.212 0.209 25638 8284 1 14 . 1 1 43 43 HIS C C 43 179.140 179.140 177.741 1.399 25638 8285 1 14 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.503 -0.690 25638 8286 1 14 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.139 -0.695 25638 8287 1 14 . 1 1 43 43 HIS H H 43 8.437 8.437 8.481 -0.044 25638 8288 1 14 . 1 1 44 44 THR N N 44 117.768 117.768 116.644 1.124 25638 8289 1 14 . 1 1 44 44 THR HA H 44 3.884 3.884 3.960 -0.076 25638 8290 1 14 . 1 1 44 44 THR C C 44 179.008 179.008 176.587 2.421 25638 8291 1 14 . 1 1 44 44 THR CA C 44 67.603 67.603 67.598 0.005 25638 8292 1 14 . 1 1 44 44 THR CB C 44 68.981 68.981 68.756 0.225 25638 8293 1 14 . 1 1 44 44 THR H H 44 8.589 8.589 8.395 0.194 25638 8294 1 14 . 1 1 45 45 ARG N N 45 121.750 121.750 121.289 0.461 25638 8295 1 14 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.125 -0.246 25638 8296 1 14 . 1 1 45 45 ARG C C 45 178.817 178.817 178.881 -0.064 25638 8297 1 14 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.432 1.427 25638 8298 1 14 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.566 1.150 25638 8299 1 14 . 1 1 45 45 ARG H H 45 8.255 8.255 7.615 0.640 25638 8300 1 14 . 1 1 46 46 GLN N N 46 116.576 116.576 119.496 -2.920 25638 8301 1 14 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.033 -0.009 25638 8302 1 14 . 1 1 46 46 GLN C C 46 181.018 181.018 178.575 2.443 25638 8303 1 14 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.849 0.726 25638 8304 1 14 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.181 -0.426 25638 8305 1 14 . 1 1 46 46 GLN H H 46 8.328 8.328 8.527 -0.199 25638 8306 1 14 . 1 1 47 47 CYS N N 47 118.569 118.569 119.242 -0.673 25638 8307 1 14 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.113 -0.030 25638 8308 1 14 . 1 1 47 47 CYS C C 47 177.244 177.244 177.261 -0.017 25638 8309 1 14 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.738 0.366 25638 8310 1 14 . 1 1 47 47 CYS CB C 47 27.063 27.063 26.830 0.233 25638 8311 1 14 . 1 1 47 47 CYS H H 47 8.029 8.029 8.544 -0.515 25638 8312 1 14 . 1 1 48 48 LEU N N 48 119.873 119.873 122.226 -2.353 25638 8313 1 14 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.115 -0.046 25638 8314 1 14 . 1 1 48 48 LEU C C 48 179.839 179.839 179.308 0.531 25638 8315 1 14 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.417 -0.104 25638 8316 1 14 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.473 0.752 25638 8317 1 14 . 1 1 48 48 LEU H H 48 8.539 8.539 8.509 0.030 25638 8318 1 14 . 1 1 49 49 ILE N N 49 119.523 119.523 116.279 3.244 25638 8319 1 14 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.196 -0.226 25638 8320 1 14 . 1 1 49 49 ILE C C 49 178.188 178.188 178.135 0.053 25638 8321 1 14 . 1 1 49 49 ILE CA C 49 66.211 66.211 64.407 1.804 25638 8322 1 14 . 1 1 49 49 ILE CB C 49 37.995 37.995 36.985 1.010 25638 8323 1 14 . 1 1 49 49 ILE H H 49 8.516 8.516 8.524 -0.008 25638 8324 1 14 . 1 1 50 50 LYS N N 50 118.622 118.622 121.071 -2.449 25638 8325 1 14 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.239 -0.046 25638 8326 1 14 . 1 1 50 50 LYS C C 50 181.391 181.391 179.291 2.100 25638 8327 1 14 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.957 -0.410 25638 8328 1 14 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.312 0.279 25638 8329 1 14 . 1 1 50 50 LYS H H 50 7.522 7.522 7.983 -0.461 25638 8330 1 14 . 1 1 51 51 ILE N N 51 119.288 119.288 120.364 -1.076 25638 8331 1 14 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.575 -0.126 25638 8332 1 14 . 1 1 51 51 ILE C C 51 178.384 178.384 177.808 0.576 25638 8333 1 14 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.738 0.029 25638 8334 1 14 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.842 1.138 25638 8335 1 14 . 1 1 51 51 ILE H H 51 8.107 8.107 8.337 -0.230 25638 8336 1 14 . 1 1 52 52 GLY N N 52 108.211 108.211 106.682 1.529 25638 8337 1 14 . 1 1 52 52 GLY C C 52 178.168 178.168 175.254 2.914 25638 8338 1 14 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.447 0.617 25638 8339 1 14 . 1 1 52 52 GLY H H 52 9.224 9.224 8.143 1.081 25638 8340 1 14 . 1 1 53 53 ASP N N 53 124.013 124.013 123.673 0.340 25638 8341 1 14 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.430 0.104 25638 8342 1 14 . 1 1 53 53 ASP C C 53 179.976 179.976 178.196 1.780 25638 8343 1 14 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.349 0.279 25638 8344 1 14 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.909 -1.627 25638 8345 1 14 . 1 1 53 53 ASP H H 53 9.091 9.091 8.504 0.587 25638 8346 1 14 . 1 1 54 54 HIS N N 54 121.598 121.598 118.168 3.430 25638 8347 1 14 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.223 0.183 25638 8348 1 14 . 1 1 54 54 HIS C C 54 178.982 178.982 177.702 1.280 25638 8349 1 14 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.761 0.699 25638 8350 1 14 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.666 1.901 25638 8351 1 14 . 1 1 54 54 HIS H H 54 7.664 7.664 8.054 -0.390 25638 8352 1 14 . 1 1 55 55 ILE N N 55 121.892 121.892 120.240 1.652 25638 8353 1 14 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.476 -0.292 25638 8354 1 14 . 1 1 55 55 ILE C C 55 178.188 178.188 177.796 0.392 25638 8355 1 14 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.562 2.115 25638 8356 1 14 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.543 -0.299 25638 8357 1 14 . 1 1 55 55 ILE H H 55 8.255 8.255 8.088 0.167 25638 8358 1 14 . 1 1 56 56 THR N N 56 115.458 115.458 117.190 -1.732 25638 8359 1 14 . 1 1 56 56 THR HA H 56 3.759 3.759 3.862 -0.103 25638 8360 1 14 . 1 1 56 56 THR C C 56 180.195 180.195 176.567 3.628 25638 8361 1 14 . 1 1 56 56 THR CA C 56 67.551 67.551 67.310 0.241 25638 8362 1 14 . 1 1 56 56 THR CB C 56 68.756 68.756 68.535 0.221 25638 8363 1 14 . 1 1 56 56 THR H H 56 8.047 8.047 8.136 -0.089 25638 8364 1 14 . 1 1 57 57 GLU N N 57 121.544 121.544 120.726 0.818 25638 8365 1 14 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.089 -0.135 25638 8366 1 14 . 1 1 57 57 GLU C C 57 180.979 180.979 178.813 2.166 25638 8367 1 14 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.315 0.065 25638 8368 1 14 . 1 1 57 57 GLU CB C 57 28.740 28.740 28.979 -0.239 25638 8369 1 14 . 1 1 57 57 GLU H H 57 7.591 7.591 8.748 -1.157 25638 8370 1 14 . 1 1 58 58 CYS N N 58 118.970 118.970 117.345 1.625 25638 8371 1 14 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.044 -0.104 25638 8372 1 14 . 1 1 58 58 CYS C C 58 178.089 178.089 175.722 2.367 25638 8373 1 14 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.651 0.570 25638 8374 1 14 . 1 1 58 58 CYS CB C 58 26.562 26.562 27.404 -0.842 25638 8375 1 14 . 1 1 58 58 CYS H H 58 8.206 8.206 7.661 0.545 25638 8376 1 14 . 1 1 59 59 LEU N N 59 116.873 116.873 118.927 -2.054 25638 8377 1 14 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.333 -0.082 25638 8378 1 14 . 1 1 59 59 LEU C C 59 179.033 179.033 179.072 -0.039 25638 8379 1 14 . 1 1 59 59 LEU CA C 59 56.039 56.039 56.258 -0.219 25638 8380 1 14 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.383 -0.346 25638 8381 1 14 . 1 1 59 59 LEU H H 59 7.726 7.726 8.011 -0.285 25638 8382 1 14 . 1 1 60 60 LYS N N 60 117.911 117.911 119.460 -1.549 25638 8383 1 14 . 1 1 60 60 LYS HA H 60 4.131 4.131 3.960 0.171 25638 8384 1 14 . 1 1 60 60 LYS C C 60 177.912 177.912 177.725 0.187 25638 8385 1 14 . 1 1 60 60 LYS CA C 60 58.537 58.537 59.372 -0.835 25638 8386 1 14 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.721 0.669 25638 8387 1 14 . 1 1 60 60 LYS H H 60 7.298 7.298 8.234 -0.936 25638 8388 1 14 . 1 1 61 61 GLU N N 61 115.507 115.507 117.632 -2.125 25638 8389 1 14 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.994 -0.105 25638 8390 1 14 . 1 1 61 61 GLU C C 61 176.576 176.576 176.786 -0.210 25638 8391 1 14 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.602 -0.551 25638 8392 1 14 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.734 -0.000 25638 8393 1 14 . 1 1 61 61 GLU H H 61 7.084 7.084 7.875 -0.791 25638 8394 1 14 . 1 1 62 62 TYR N N 62 118.581 118.581 118.283 0.298 25638 8395 1 14 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.452 0.254 25638 8396 1 14 . 1 1 62 62 TYR C C 62 175.935 175.935 176.929 -0.994 25638 8397 1 14 . 1 1 62 62 TYR CA C 62 57.147 57.147 58.367 -1.220 25638 8398 1 14 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.683 1.702 25638 8399 1 14 . 1 1 62 62 TYR H H 62 7.387 7.387 7.313 0.074 25638 8400 1 14 . 1 1 63 63 THR N N 63 109.064 109.064 114.060 -4.996 25638 8401 1 14 . 1 1 63 63 THR HA H 63 4.507 4.507 4.198 0.309 25638 8402 1 14 . 1 1 63 63 THR C C 63 175.888 175.888 174.990 0.898 25638 8403 1 14 . 1 1 63 63 THR CA C 63 61.684 61.684 62.703 -1.019 25638 8404 1 14 . 1 1 63 63 THR CB C 63 70.092 70.092 69.417 0.675 25638 8405 1 14 . 1 1 63 63 THR H H 63 8.471 8.471 8.327 0.144 25638 8406 1 14 . 1 1 64 64 ASN N N 64 123.204 123.204 121.280 1.924 25638 8407 1 14 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.824 0.347 25638 8408 1 14 . 1 1 64 64 ASN C C 64 175.495 175.495 175.475 0.020 25638 8409 1 14 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.387 -1.250 25638 8410 1 14 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.881 0.799 25638 8411 1 14 . 1 1 64 64 ASN H H 64 7.993 7.993 8.252 -0.259 25638 8412 1 14 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.262 0.008 25638 8413 1 14 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.759 -0.067 25638 8414 1 14 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.158 0.241 25638 8415 1 14 . 1 1 66 66 GLU N N 66 118.060 118.060 119.040 -0.980 25638 8416 1 14 . 1 1 66 66 GLU HA H 66 4.132 4.132 3.905 0.227 25638 8417 1 14 . 1 1 66 66 GLU C C 66 180.409 180.409 178.579 1.830 25638 8418 1 14 . 1 1 66 66 GLU CA C 66 59.374 59.374 60.184 -0.810 25638 8419 1 14 . 1 1 66 66 GLU CB C 66 28.803 28.803 29.069 -0.266 25638 8420 1 14 . 1 1 66 66 GLU H H 66 8.297 8.297 8.792 -0.495 25638 8421 1 14 . 1 1 67 67 GLN N N 67 120.531 120.531 117.876 2.655 25638 8422 1 14 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.970 0.197 25638 8423 1 14 . 1 1 67 67 GLN C C 67 179.072 179.072 178.680 0.392 25638 8424 1 14 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.197 -0.369 25638 8425 1 14 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.457 0.786 25638 8426 1 14 . 1 1 67 67 GLN H H 67 7.738 7.738 8.324 -0.586 25638 8427 1 14 . 1 1 68 68 ILE N N 68 119.632 119.632 115.842 3.790 25638 8428 1 14 . 1 1 68 68 ILE HA H 68 3.548 3.548 4.142 -0.594 25638 8429 1 14 . 1 1 68 68 ILE C C 68 178.109 178.109 177.143 0.966 25638 8430 1 14 . 1 1 68 68 ILE CA C 68 66.597 66.597 63.944 2.653 25638 8431 1 14 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.485 1.454 25638 8432 1 14 . 1 1 68 68 ILE H H 68 7.956 7.956 8.115 -0.159 25638 8433 1 14 . 1 1 69 69 LYS N N 69 117.236 117.236 119.361 -2.125 25638 8434 1 14 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.157 -0.228 25638 8435 1 14 . 1 1 69 69 LYS C C 69 180.271 180.271 179.007 1.264 25638 8436 1 14 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.080 0.841 25638 8437 1 14 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.552 0.055 25638 8438 1 14 . 1 1 69 69 LYS H H 69 7.665 7.665 7.852 -0.187 25638 8439 1 14 . 1 1 70 70 GLN N N 70 118.748 118.748 120.337 -1.589 25638 8440 1 14 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.026 -0.171 25638 8441 1 14 . 1 1 70 70 GLN C C 70 179.131 179.131 178.080 1.051 25638 8442 1 14 . 1 1 70 70 GLN CA C 70 58.252 58.252 59.092 -0.840 25638 8443 1 14 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.258 0.419 25638 8444 1 14 . 1 1 70 70 GLN H H 70 7.787 7.787 8.391 -0.604 25638 8445 1 14 . 1 1 71 71 TRP N N 71 118.896 118.896 119.190 -0.294 25638 8446 1 14 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.293 -0.250 25638 8447 1 14 . 1 1 71 71 TRP C C 71 178.679 178.679 178.641 0.038 25638 8448 1 14 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.595 1.354 25638 8449 1 14 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.376 -1.132 25638 8450 1 14 . 1 1 71 71 TRP H H 71 8.374 8.374 8.571 -0.197 25638 8451 1 14 . 1 1 72 72 ARG N N 72 122.698 122.698 119.458 3.240 25638 8452 1 14 . 1 1 72 72 ARG HA H 72 3.819 3.819 4.088 -0.269 25638 8453 1 14 . 1 1 72 72 ARG C C 72 178.561 178.561 178.477 0.084 25638 8454 1 14 . 1 1 72 72 ARG CA C 72 61.032 61.032 60.011 1.021 25638 8455 1 14 . 1 1 72 72 ARG CB C 72 30.269 30.269 29.955 0.314 25638 8456 1 14 . 1 1 72 72 ARG H H 72 8.808 8.808 8.256 0.552 25638 8457 1 14 . 1 1 73 73 LYS N N 73 116.946 116.946 118.754 -1.808 25638 8458 1 14 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.199 -0.019 25638 8459 1 14 . 1 1 73 73 LYS C C 73 179.622 179.622 179.142 0.480 25638 8460 1 14 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.643 -0.108 25638 8461 1 14 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.129 -0.414 25638 8462 1 14 . 1 1 73 73 LYS H H 73 7.380 7.380 7.868 -0.488 25638 8463 1 14 . 1 1 74 74 ASN N N 74 116.434 116.434 119.301 -2.867 25638 8464 1 14 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.542 -0.265 25638 8465 1 14 . 1 1 74 74 ASN C C 74 178.148 178.148 177.863 0.285 25638 8466 1 14 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.268 -0.405 25638 8467 1 14 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.222 -0.188 25638 8468 1 14 . 1 1 74 74 ASN H H 74 8.309 8.309 8.502 -0.193 25638 8469 1 14 . 1 1 75 75 LEU N N 75 118.967 118.967 121.347 -2.380 25638 8470 1 14 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.254 -0.129 25638 8471 1 14 . 1 1 75 75 LEU C C 75 180.251 180.251 179.150 1.101 25638 8472 1 14 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.708 0.119 25638 8473 1 14 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.005 -0.021 25638 8474 1 14 . 1 1 75 75 LEU H H 75 8.635 8.635 8.705 -0.070 25638 8475 1 14 . 1 1 76 76 TRP N N 76 118.544 118.544 119.292 -0.748 25638 8476 1 14 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.381 0.198 25638 8477 1 14 . 1 1 76 76 TRP C C 76 180.900 180.900 179.437 1.463 25638 8478 1 14 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.795 0.621 25638 8479 1 14 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.370 -0.273 25638 8480 1 14 . 1 1 76 76 TRP H H 76 8.006 8.006 7.781 0.225 25638 8481 1 14 . 1 1 77 77 ILE N N 77 121.982 121.982 120.058 1.924 25638 8482 1 14 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.743 0.088 25638 8483 1 14 . 1 1 77 77 ILE C C 77 181.254 181.254 177.773 3.481 25638 8484 1 14 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.510 0.531 25638 8485 1 14 . 1 1 77 77 ILE CB C 77 37.350 37.350 37.988 -0.638 25638 8486 1 14 . 1 1 77 77 ILE H H 77 8.893 8.893 8.640 0.253 25638 8487 1 14 . 1 1 78 78 PHE N N 78 123.458 123.458 121.017 2.441 25638 8488 1 14 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.291 -0.247 25638 8489 1 14 . 1 1 78 78 PHE C C 78 177.618 177.618 177.549 0.069 25638 8490 1 14 . 1 1 78 78 PHE CA C 78 63.080 63.080 62.297 0.783 25638 8491 1 14 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.353 -0.644 25638 8492 1 14 . 1 1 78 78 PHE H H 78 8.753 8.753 8.404 0.349 25638 8493 1 14 . 1 1 79 79 VAL N N 79 117.726 117.726 118.071 -0.345 25638 8494 1 14 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.555 -0.076 25638 8495 1 14 . 1 1 79 79 VAL C C 79 178.876 178.876 178.599 0.277 25638 8496 1 14 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.456 0.357 25638 8497 1 14 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.628 -0.056 25638 8498 1 14 . 1 1 79 79 VAL H H 79 8.232 8.232 8.641 -0.409 25638 8499 1 14 . 1 1 80 80 SER N N 80 114.568 114.568 116.602 -2.034 25638 8500 1 14 . 1 1 80 80 SER HA H 80 4.339 4.339 4.435 -0.096 25638 8501 1 14 . 1 1 80 80 SER C C 80 176.261 176.261 176.932 -0.671 25638 8502 1 14 . 1 1 80 80 SER CA C 80 61.337 61.337 61.964 -0.627 25638 8503 1 14 . 1 1 80 80 SER CB C 80 62.712 62.712 62.984 -0.272 25638 8504 1 14 . 1 1 80 80 SER H H 80 8.353 8.353 8.201 0.152 25638 8505 1 14 . 1 1 81 81 LYS N N 81 121.180 121.180 120.246 0.934 25638 8506 1 14 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.116 0.082 25638 8507 1 14 . 1 1 81 81 LYS C C 81 178.305 178.305 178.025 0.280 25638 8508 1 14 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.000 -0.896 25638 8509 1 14 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.140 -1.481 25638 8510 1 14 . 1 1 81 81 LYS H H 81 7.481 7.481 7.551 -0.070 25638 8511 1 14 . 1 1 82 82 PHE N N 82 117.950 117.950 117.872 0.078 25638 8512 1 14 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.483 -0.086 25638 8513 1 14 . 1 1 82 82 PHE C C 82 174.787 174.787 175.291 -0.504 25638 8514 1 14 . 1 1 82 82 PHE CA C 82 58.398 58.398 58.376 0.022 25638 8515 1 14 . 1 1 82 82 PHE CB C 82 38.937 38.937 38.546 0.391 25638 8516 1 14 . 1 1 82 82 PHE H H 82 8.256 8.256 7.663 0.593 25638 8517 1 14 . 1 1 83 83 THR N N 83 109.995 109.995 111.190 -1.195 25638 8518 1 14 . 1 1 83 83 THR HA H 83 4.988 4.988 4.607 0.381 25638 8519 1 14 . 1 1 83 83 THR C C 83 174.138 174.138 172.942 1.196 25638 8520 1 14 . 1 1 83 83 THR CA C 83 59.609 59.609 59.759 -0.150 25638 8521 1 14 . 1 1 83 83 THR CB C 83 71.080 71.080 70.276 0.804 25638 8522 1 14 . 1 1 83 83 THR H H 83 7.665 7.665 7.418 0.247 25638 8523 1 14 . 1 1 84 84 GLU N N 84 119.416 119.416 120.298 -0.882 25638 8524 1 14 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.358 0.037 25638 8525 1 14 . 1 1 84 84 GLU C C 84 177.912 177.912 175.696 2.216 25638 8526 1 14 . 1 1 84 84 GLU CA C 84 56.496 56.496 55.975 0.520 25638 8527 1 14 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.773 -0.251 25638 8528 1 14 . 1 1 84 84 GLU H H 84 8.409 8.409 8.344 0.065 25638 8529 1 14 . 1 1 85 85 PHE N N 85 120.265 120.265 121.507 -1.242 25638 8530 1 14 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.738 0.153 25638 8531 1 14 . 1 1 85 85 PHE C C 85 175.809 175.809 174.910 0.899 25638 8532 1 14 . 1 1 85 85 PHE CA C 85 56.109 56.109 55.844 0.265 25638 8533 1 14 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.373 1.815 25638 8534 1 14 . 1 1 85 85 PHE H H 85 8.210 8.210 7.162 1.048 25638 8535 1 14 . 1 1 86 86 ASP N N 86 118.128 118.128 124.365 -6.237 25638 8536 1 14 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.630 0.106 25638 8537 1 14 . 1 1 86 86 ASP C C 86 176.986 176.986 177.713 -0.727 25638 8538 1 14 . 1 1 86 86 ASP CA C 86 53.183 53.183 56.100 -2.917 25638 8539 1 14 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.036 0.497 25638 8540 1 14 . 1 1 86 86 ASP H H 86 8.119 8.119 8.880 -0.761 25638 8541 1 14 . 1 1 87 87 ALA N N 87 121.912 121.912 126.029 -4.117 25638 8542 1 14 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.121 -0.132 25638 8543 1 14 . 1 1 87 87 ALA C C 87 180.378 180.378 179.106 1.272 25638 8544 1 14 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.003 1.072 25638 8545 1 14 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.885 1.322 25638 8546 1 14 . 1 1 87 87 ALA H H 87 8.757 8.757 8.385 0.372 25638 8547 1 14 . 1 1 88 88 ARG N N 88 117.072 117.072 118.579 -1.507 25638 8548 1 14 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.138 -0.182 25638 8549 1 14 . 1 1 88 88 ARG C C 88 179.975 179.975 177.874 2.101 25638 8550 1 14 . 1 1 88 88 ARG CA C 88 59.252 59.252 58.940 0.312 25638 8551 1 14 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.882 -0.269 25638 8552 1 14 . 1 1 88 88 ARG H H 88 8.147 8.147 8.539 -0.392 25638 8553 1 14 . 1 1 89 89 LYS N N 89 121.809 121.809 119.640 2.169 25638 8554 1 14 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.175 -0.266 25638 8555 1 14 . 1 1 89 89 LYS C C 89 179.505 179.505 178.884 0.621 25638 8556 1 14 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.668 0.318 25638 8557 1 14 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.002 0.332 25638 8558 1 14 . 1 1 89 89 LYS H H 89 8.022 8.022 7.731 0.291 25638 8559 1 14 . 1 1 90 90 LEU N N 90 118.429 118.429 121.438 -3.009 25638 8560 1 14 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.852 -0.108 25638 8561 1 14 . 1 1 90 90 LEU C C 90 178.069 178.069 178.306 -0.237 25638 8562 1 14 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.625 -0.582 25638 8563 1 14 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.869 0.593 25638 8564 1 14 . 1 1 90 90 LEU H H 90 8.139 8.139 9.023 -0.884 25638 8565 1 14 . 1 1 91 91 HIS N N 91 117.214 117.214 116.464 0.750 25638 8566 1 14 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.481 0.498 25638 8567 1 14 . 1 1 91 91 HIS C C 91 178.069 178.069 176.528 1.541 25638 8568 1 14 . 1 1 91 91 HIS CA C 91 58.178 58.178 59.598 -1.420 25638 8569 1 14 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.348 0.080 25638 8570 1 14 . 1 1 91 91 HIS H H 91 7.379 7.379 7.658 -0.279 25638 8571 1 14 . 1 1 92 92 LYS N N 92 118.466 118.466 120.289 -1.823 25638 8572 1 14 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.712 -0.077 25638 8573 1 14 . 1 1 92 92 LYS C C 92 180.310 180.310 178.655 1.655 25638 8574 1 14 . 1 1 92 92 LYS CA C 92 59.924 59.924 57.842 2.082 25638 8575 1 14 . 1 1 92 92 LYS CB C 92 32.365 32.365 30.917 1.448 25638 8576 1 14 . 1 1 92 92 LYS H H 92 7.599 7.599 6.881 0.718 25638 8577 1 14 . 1 1 93 93 LEU N N 93 120.752 120.752 121.975 -1.223 25638 8578 1 14 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.939 0.044 25638 8579 1 14 . 1 1 93 93 LEU C C 93 181.269 181.269 178.924 2.345 25638 8580 1 14 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.538 -0.538 25638 8581 1 14 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.594 0.745 25638 8582 1 14 . 1 1 93 93 LEU H H 93 8.351 8.351 7.978 0.373 25638 8583 1 14 . 1 1 94 94 TYR N N 94 122.311 122.311 119.760 2.551 25638 8584 1 14 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.047 0.089 25638 8585 1 14 . 1 1 94 94 TYR C C 94 176.789 176.789 177.552 -0.763 25638 8586 1 14 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.449 -0.149 25638 8587 1 14 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.401 0.177 25638 8588 1 14 . 1 1 94 94 TYR H H 94 8.290 8.290 8.110 0.180 25638 8589 1 14 . 1 1 95 95 LYS N N 95 117.851 117.851 118.915 -1.064 25638 8590 1 14 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.701 -0.275 25638 8591 1 14 . 1 1 95 95 LYS C C 95 180.684 180.684 178.886 1.798 25638 8592 1 14 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.505 -0.126 25638 8593 1 14 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.186 -0.938 25638 8594 1 14 . 1 1 95 95 LYS H H 95 8.180 8.180 8.459 -0.279 25638 8595 1 14 . 1 1 96 96 HIS N N 96 117.611 117.611 118.767 -1.156 25638 8596 1 14 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.226 -0.013 25638 8597 1 14 . 1 1 96 96 HIS C C 96 178.266 178.266 176.946 1.320 25638 8598 1 14 . 1 1 96 96 HIS CA C 96 59.274 59.274 58.883 0.391 25638 8599 1 14 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.486 0.717 25638 8600 1 14 . 1 1 96 96 HIS H H 96 8.049 8.049 7.977 0.072 25638 8601 1 14 . 1 1 97 97 ALA N N 97 122.617 122.617 121.720 0.897 25638 8602 1 14 . 1 1 97 97 ALA HA H 97 4.091 4.091 3.557 0.534 25638 8603 1 14 . 1 1 97 97 ALA C C 97 181.352 181.352 179.837 1.515 25638 8604 1 14 . 1 1 97 97 ALA CA C 97 54.645 54.645 54.800 -0.155 25638 8605 1 14 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.133 -0.364 25638 8606 1 14 . 1 1 97 97 ALA H H 97 8.104 8.104 7.773 0.331 25638 8607 1 14 . 1 1 98 98 ILE N N 98 111.626 111.626 118.998 -7.372 25638 8608 1 14 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.463 0.646 25638 8609 1 14 . 1 1 98 98 ILE C C 98 178.561 178.561 177.807 0.754 25638 8610 1 14 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.161 -1.431 25638 8611 1 14 . 1 1 98 98 ILE CB C 98 37.646 37.646 36.322 1.324 25638 8612 1 14 . 1 1 98 98 ILE H H 98 7.636 7.636 8.289 -0.653 25638 8613 1 14 . 1 1 99 99 LYS N N 99 124.158 124.158 119.573 4.585 25638 8614 1 14 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.976 0.069 25638 8615 1 14 . 1 1 99 99 LYS C C 99 179.111 179.111 178.823 0.288 25638 8616 1 14 . 1 1 99 99 LYS CA C 99 59.070 59.070 58.895 0.175 25638 8617 1 14 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.292 -0.120 25638 8618 1 14 . 1 1 99 99 LYS H H 99 7.359 7.359 8.134 -0.775 25638 8619 1 14 . 1 1 100 100 LYS N N 100 118.333 118.333 118.125 0.208 25638 8620 1 14 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.214 -0.071 25638 8621 1 14 . 1 1 100 100 LYS C C 100 179.111 179.111 178.416 0.695 25638 8622 1 14 . 1 1 100 100 LYS CA C 100 57.212 57.212 57.895 -0.683 25638 8623 1 14 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.712 -0.970 25638 8624 1 14 . 1 1 100 100 LYS H H 100 7.937 7.937 7.967 -0.030 25638 8625 1 14 . 1 1 101 101 ARG N N 101 121.125 121.125 118.385 2.740 25638 8626 1 14 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.192 -0.063 25638 8627 1 14 . 1 1 101 101 ARG C C 101 178.541 178.541 176.121 2.420 25638 8628 1 14 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.377 1.789 25638 8629 1 14 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.860 -0.269 25638 8630 1 14 . 1 1 101 101 ARG H H 101 7.895 7.895 7.781 0.114 25638 8631 1 14 . 1 1 102 102 GLN N N 102 119.756 119.756 116.609 3.147 25638 8632 1 14 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.077 0.130 25638 8633 1 14 . 1 1 102 102 GLN C C 102 178.129 178.129 175.300 2.829 25638 8634 1 14 . 1 1 102 102 GLN CA C 102 56.912 56.912 57.251 -0.339 25638 8635 1 14 . 1 1 102 102 GLN CB C 102 28.921 28.921 28.461 0.460 25638 8636 1 14 . 1 1 102 102 GLN H H 102 8.167 8.167 8.136 0.031 25638 8637 1 14 . 1 1 103 103 GLU N N 103 120.553 120.553 118.764 1.789 25638 8638 1 14 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.319 -0.119 25638 8639 1 14 . 1 1 103 103 GLU C C 103 178.286 178.286 175.285 3.001 25638 8640 1 14 . 1 1 103 103 GLU CA C 103 57.505 57.505 56.156 1.349 25638 8641 1 14 . 1 1 103 103 GLU CB C 103 29.924 29.924 30.416 -0.492 25638 8642 1 14 . 1 1 103 103 GLU H H 103 8.189 8.189 8.608 -0.419 25638 8643 1 14 . 1 1 104 104 SER N N 104 115.381 115.381 116.103 -0.722 25638 8644 1 14 . 1 1 104 104 SER HA H 104 4.431 4.431 4.628 -0.197 25638 8645 1 14 . 1 1 104 104 SER C C 104 175.750 175.750 173.969 1.781 25638 8646 1 14 . 1 1 104 104 SER CA C 104 59.154 59.154 57.645 1.509 25638 8647 1 14 . 1 1 104 104 SER CB C 104 63.456 63.456 63.722 -0.266 25638 8648 1 14 . 1 1 104 104 SER H H 104 8.099 8.099 7.805 0.294 25638 8649 1 14 . 1 1 105 105 GLN N N 105 121.635 121.635 123.584 -1.949 25638 8650 1 14 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.261 0.074 25638 8651 1 14 . 1 1 105 105 GLN C C 105 177.008 177.008 174.915 2.093 25638 8652 1 14 . 1 1 105 105 GLN CA C 105 56.053 56.053 56.761 -0.708 25638 8653 1 14 . 1 1 105 105 GLN CB C 105 29.128 29.128 29.462 -0.334 25638 8654 1 14 . 1 1 105 105 GLN H H 105 8.170 8.170 8.516 -0.346 25638 8655 1 14 . 1 1 106 106 GLN N N 106 120.850 120.850 120.553 0.297 25638 8656 1 14 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.489 -0.158 25638 8657 1 14 . 1 1 106 106 GLN C C 106 176.713 176.713 174.657 2.056 25638 8658 1 14 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.262 0.689 25638 8659 1 14 . 1 1 106 106 GLN CB C 106 29.254 29.254 31.040 -1.786 25638 8660 1 14 . 1 1 106 106 GLN H H 106 8.281 8.281 8.673 -0.392 25638 8661 1 14 . 1 1 107 107 ASN N N 107 120.271 120.271 119.283 0.988 25638 8662 1 14 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.507 0.283 25638 8663 1 14 . 1 1 107 107 ASN C C 107 175.337 175.337 174.414 0.923 25638 8664 1 14 . 1 1 107 107 ASN CA C 107 53.353 53.353 54.421 -1.068 25638 8665 1 14 . 1 1 107 107 ASN CB C 107 39.094 39.094 38.224 0.870 25638 8666 1 14 . 1 1 107 107 ASN H H 107 8.434 8.434 8.969 -0.535 25638 8667 1 15 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.531 -0.086 25638 8668 1 15 . 1 1 2 2 PRO C C 2 178.089 178.089 177.155 0.934 25638 8669 1 15 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.779 0.527 25638 8670 1 15 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.996 -0.528 25638 8671 1 15 . 1 1 3 3 LEU N N 3 122.239 122.239 123.607 -1.368 25638 8672 1 15 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.412 -0.115 25638 8673 1 15 . 1 1 3 3 LEU C C 3 178.876 178.876 177.539 1.337 25638 8674 1 15 . 1 1 3 3 LEU CA C 3 55.529 55.529 55.628 -0.099 25638 8675 1 15 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.601 -0.451 25638 8676 1 15 . 1 1 3 3 LEU H H 3 8.522 8.522 8.475 0.047 25638 8677 1 15 . 1 1 4 4 GLY N N 4 109.572 109.572 107.420 2.152 25638 8678 1 15 . 1 1 4 4 GLY C C 4 174.630 174.630 173.696 0.934 25638 8679 1 15 . 1 1 4 4 GLY CA C 4 45.333 45.333 45.399 -0.066 25638 8680 1 15 . 1 1 4 4 GLY H H 4 8.349 8.349 8.219 0.130 25638 8681 1 15 . 1 1 5 5 SER N N 5 115.481 115.481 117.742 -2.261 25638 8682 1 15 . 1 1 5 5 SER HA H 5 4.513 4.513 4.647 -0.134 25638 8683 1 15 . 1 1 5 5 SER C C 5 174.667 174.667 174.353 0.314 25638 8684 1 15 . 1 1 5 5 SER CA C 5 57.801 57.801 58.479 -0.678 25638 8685 1 15 . 1 1 5 5 SER CB C 5 64.536 64.536 64.317 0.219 25638 8686 1 15 . 1 1 5 5 SER H H 5 8.119 8.119 8.625 -0.506 25638 8687 1 15 . 1 1 6 6 LEU N N 6 121.895 121.895 120.320 1.575 25638 8688 1 15 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.150 0.504 25638 8689 1 15 . 1 1 6 6 LEU C C 6 177.932 177.932 175.771 2.161 25638 8690 1 15 . 1 1 6 6 LEU CA C 6 53.922 53.922 55.298 -1.376 25638 8691 1 15 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.542 2.064 25638 8692 1 15 . 1 1 6 6 LEU H H 6 8.319 8.319 7.680 0.639 25638 8693 1 15 . 1 1 7 7 ASP N N 7 121.978 121.978 120.755 1.223 25638 8694 1 15 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.669 -0.063 25638 8695 1 15 . 1 1 7 7 ASP C C 7 176.477 176.477 177.633 -1.156 25638 8696 1 15 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.149 -0.931 25638 8697 1 15 . 1 1 7 7 ASP CB C 7 40.958 40.958 41.716 -0.758 25638 8698 1 15 . 1 1 7 7 ASP H H 7 8.318 8.318 8.309 0.009 25638 8699 1 15 . 1 1 8 8 GLN N N 8 119.885 119.885 122.305 -2.420 25638 8700 1 15 . 1 1 8 8 GLN HA H 8 4.086 4.086 3.840 0.246 25638 8701 1 15 . 1 1 8 8 GLN C C 8 179.710 179.710 177.672 2.038 25638 8702 1 15 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.727 0.098 25638 8703 1 15 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.364 0.119 25638 8704 1 15 . 1 1 8 8 GLN H H 8 8.746 8.746 8.864 -0.118 25638 8705 1 15 . 1 1 9 9 LYS N N 9 120.863 120.863 120.175 0.688 25638 8706 1 15 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.236 -0.039 25638 8707 1 15 . 1 1 9 9 LYS C C 9 180.333 180.333 178.906 1.427 25638 8708 1 15 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.890 -0.516 25638 8709 1 15 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.716 0.241 25638 8710 1 15 . 1 1 9 9 LYS H H 9 8.454 8.454 8.667 -0.213 25638 8711 1 15 . 1 1 10 10 THR N N 10 118.654 118.654 117.122 1.532 25638 8712 1 15 . 1 1 10 10 THR HA H 10 3.985 3.985 4.268 -0.283 25638 8713 1 15 . 1 1 10 10 THR C C 10 177.904 177.904 176.638 1.266 25638 8714 1 15 . 1 1 10 10 THR CA C 10 67.618 67.618 66.820 0.798 25638 8715 1 15 . 1 1 10 10 THR CB C 10 67.523 67.523 68.381 -0.858 25638 8716 1 15 . 1 1 10 10 THR H H 10 8.531 8.531 7.976 0.555 25638 8717 1 15 . 1 1 11 11 PHE N N 11 123.876 123.876 123.363 0.513 25638 8718 1 15 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.137 -0.143 25638 8719 1 15 . 1 1 11 11 PHE C C 11 177.676 177.676 176.683 0.993 25638 8720 1 15 . 1 1 11 11 PHE CA C 11 63.219 63.219 62.499 0.720 25638 8721 1 15 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.023 0.323 25638 8722 1 15 . 1 1 11 11 PHE H H 11 9.296 9.296 8.928 0.368 25638 8723 1 15 . 1 1 12 12 SER N N 12 114.219 114.219 115.930 -1.711 25638 8724 1 15 . 1 1 12 12 SER HA H 12 4.151 4.151 4.134 0.017 25638 8725 1 15 . 1 1 12 12 SER C C 12 177.922 177.922 176.799 1.123 25638 8726 1 15 . 1 1 12 12 SER CA C 12 62.899 62.899 62.633 0.266 25638 8727 1 15 . 1 1 12 12 SER CB C 12 63.194 63.194 63.108 0.086 25638 8728 1 15 . 1 1 12 12 SER H H 12 8.306 8.306 8.205 0.101 25638 8729 1 15 . 1 1 13 13 ILE N N 13 123.613 123.613 122.487 1.126 25638 8730 1 15 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.634 0.203 25638 8731 1 15 . 1 1 13 13 ILE C C 13 179.563 179.563 177.365 2.198 25638 8732 1 15 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.330 -0.230 25638 8733 1 15 . 1 1 13 13 ILE CB C 13 38.310 38.310 37.965 0.345 25638 8734 1 15 . 1 1 13 13 ILE H H 13 7.897 7.897 8.312 -0.415 25638 8735 1 15 . 1 1 14 14 CYS N N 14 118.125 118.125 118.568 -0.443 25638 8736 1 15 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.536 0.015 25638 8737 1 15 . 1 1 14 14 CYS C C 14 176.010 176.010 175.855 0.155 25638 8738 1 15 . 1 1 14 14 CYS CA C 14 64.572 64.572 64.217 0.355 25638 8739 1 15 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.890 0.831 25638 8740 1 15 . 1 1 14 14 CYS H H 14 8.329 8.329 8.140 0.189 25638 8741 1 15 . 1 1 15 15 LYS N N 15 118.532 118.532 118.024 0.508 25638 8742 1 15 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.940 -0.791 25638 8743 1 15 . 1 1 15 15 LYS C C 15 179.846 179.846 177.395 2.451 25638 8744 1 15 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.222 0.510 25638 8745 1 15 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.238 -0.146 25638 8746 1 15 . 1 1 15 15 LYS H H 15 8.025 8.025 7.486 0.539 25638 8747 1 15 . 1 1 16 16 GLU N N 16 118.138 118.138 116.582 1.556 25638 8748 1 15 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.167 -0.140 25638 8749 1 15 . 1 1 16 16 GLU C C 16 180.959 180.959 178.813 2.146 25638 8750 1 15 . 1 1 16 16 GLU CA C 16 59.142 59.142 57.578 1.564 25638 8751 1 15 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.806 -0.693 25638 8752 1 15 . 1 1 16 16 GLU H H 16 7.403 7.403 7.400 0.003 25638 8753 1 15 . 1 1 17 17 ARG N N 17 117.969 117.969 119.868 -1.899 25638 8754 1 15 . 1 1 17 17 ARG HA H 17 4.063 4.063 3.942 0.121 25638 8755 1 15 . 1 1 17 17 ARG C C 17 179.544 179.544 178.661 0.883 25638 8756 1 15 . 1 1 17 17 ARG CA C 17 58.155 58.155 58.130 0.025 25638 8757 1 15 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.059 -0.092 25638 8758 1 15 . 1 1 17 17 ARG H H 17 8.325 8.325 7.954 0.371 25638 8759 1 15 . 1 1 18 18 MET N N 18 113.332 113.332 119.145 -5.813 25638 8760 1 15 . 1 1 18 18 MET HA H 18 4.561 4.561 4.349 0.212 25638 8761 1 15 . 1 1 18 18 MET C C 18 176.890 176.890 175.216 1.674 25638 8762 1 15 . 1 1 18 18 MET CA C 18 53.377 53.377 54.590 -1.213 25638 8763 1 15 . 1 1 18 18 MET CB C 18 29.724 29.724 31.328 -1.604 25638 8764 1 15 . 1 1 18 18 MET H H 18 7.718 7.718 8.035 -0.317 25638 8765 1 15 . 1 1 19 19 ARG N N 19 123.288 123.288 120.793 2.495 25638 8766 1 15 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.323 -0.172 25638 8767 1 15 . 1 1 19 19 ARG C C 19 176.556 176.556 176.552 0.004 25638 8768 1 15 . 1 1 19 19 ARG CA C 19 61.133 61.133 60.663 0.470 25638 8769 1 15 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.420 -0.162 25638 8770 1 15 . 1 1 19 19 ARG H H 19 7.152 7.152 7.697 -0.545 25638 8771 1 15 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.180 0.163 25638 8772 1 15 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.309 0.688 25638 8773 1 15 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.190 0.650 25638 8774 1 15 . 1 1 21 21 VAL N N 21 105.802 105.802 111.701 -5.899 25638 8775 1 15 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.199 0.622 25638 8776 1 15 . 1 1 21 21 VAL C C 21 176.261 176.261 176.780 -0.519 25638 8777 1 15 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.398 -1.296 25638 8778 1 15 . 1 1 21 21 VAL CB C 21 30.856 30.856 31.010 -0.154 25638 8779 1 15 . 1 1 21 21 VAL H H 21 7.352 7.352 7.604 -0.252 25638 8780 1 15 . 1 1 22 22 LYS N N 22 122.802 122.802 122.284 0.518 25638 8781 1 15 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.810 -0.046 25638 8782 1 15 . 1 1 22 22 LYS C C 22 178.758 178.758 177.859 0.899 25638 8783 1 15 . 1 1 22 22 LYS CA C 22 60.332 60.332 59.554 0.778 25638 8784 1 15 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.083 0.131 25638 8785 1 15 . 1 1 22 22 LYS H H 22 7.640 7.640 7.450 0.190 25638 8786 1 15 . 1 1 23 23 ALA N N 23 120.067 120.067 121.034 -0.967 25638 8787 1 15 . 1 1 23 23 ALA HA H 23 4.075 4.075 3.912 0.163 25638 8788 1 15 . 1 1 23 23 ALA C C 23 180.998 180.998 178.593 2.405 25638 8789 1 15 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.334 -0.175 25638 8790 1 15 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.984 -0.070 25638 8791 1 15 . 1 1 23 23 ALA H H 23 8.571 8.571 8.595 -0.024 25638 8792 1 15 . 1 1 24 24 ALA N N 24 121.068 121.068 120.786 0.282 25638 8793 1 15 . 1 1 24 24 ALA HA H 24 4.162 4.162 3.988 0.174 25638 8794 1 15 . 1 1 24 24 ALA C C 24 180.271 180.271 179.387 0.884 25638 8795 1 15 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.411 0.345 25638 8796 1 15 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.183 0.010 25638 8797 1 15 . 1 1 24 24 ALA H H 24 7.320 7.320 7.872 -0.552 25638 8798 1 15 . 1 1 25 25 LEU N N 25 117.214 117.214 119.670 -2.456 25638 8799 1 15 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.903 -0.192 25638 8800 1 15 . 1 1 25 25 LEU C C 25 179.524 179.524 179.047 0.477 25638 8801 1 15 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.966 -0.015 25638 8802 1 15 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.661 -1.031 25638 8803 1 15 . 1 1 25 25 LEU H H 25 7.698 7.698 8.196 -0.498 25638 8804 1 15 . 1 1 26 26 LYS N N 26 116.336 116.336 118.424 -2.088 25638 8805 1 15 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.240 -0.077 25638 8806 1 15 . 1 1 26 26 LYS C C 26 179.308 179.308 179.449 -0.141 25638 8807 1 15 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.142 -0.728 25638 8808 1 15 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.364 -0.198 25638 8809 1 15 . 1 1 26 26 LYS H H 26 7.675 7.675 7.912 -0.237 25638 8810 1 15 . 1 1 27 27 GLN N N 27 116.118 116.118 117.607 -1.489 25638 8811 1 15 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.181 0.094 25638 8812 1 15 . 1 1 27 27 GLN C C 27 178.679 178.679 177.169 1.510 25638 8813 1 15 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.367 -1.560 25638 8814 1 15 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.812 1.208 25638 8815 1 15 . 1 1 27 27 GLN H H 27 7.520 7.520 8.460 -0.940 25638 8816 1 15 . 1 1 28 28 LEU N N 28 121.335 121.335 117.367 3.968 25638 8817 1 15 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.545 -0.392 25638 8818 1 15 . 1 1 28 28 LEU C C 28 178.168 178.168 177.536 0.632 25638 8819 1 15 . 1 1 28 28 LEU CA C 28 58.042 58.042 54.512 3.530 25638 8820 1 15 . 1 1 28 28 LEU CB C 28 41.911 41.911 41.488 0.423 25638 8821 1 15 . 1 1 28 28 LEU H H 28 7.506 7.506 7.420 0.086 25638 8822 1 15 . 1 1 29 29 ASP N N 29 117.486 117.486 121.562 -4.076 25638 8823 1 15 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.732 0.182 25638 8824 1 15 . 1 1 29 29 ASP C C 29 176.772 176.772 176.646 0.126 25638 8825 1 15 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.901 -2.775 25638 8826 1 15 . 1 1 29 29 ASP CB C 29 42.715 42.715 42.015 0.700 25638 8827 1 15 . 1 1 29 29 ASP H H 29 8.120 8.120 8.005 0.115 25638 8828 1 15 . 1 1 30 30 ARG N N 30 119.107 119.107 117.147 1.960 25638 8829 1 15 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.843 -0.082 25638 8830 1 15 . 1 1 30 30 ARG C C 30 173.824 173.824 173.720 0.104 25638 8831 1 15 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.499 -0.268 25638 8832 1 15 . 1 1 30 30 ARG CB C 30 31.311 31.311 32.781 -1.470 25638 8833 1 15 . 1 1 30 30 ARG H H 30 7.701 7.701 7.526 0.175 25638 8834 1 15 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.457 -0.191 25638 8835 1 15 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.955 -0.010 25638 8836 1 15 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.332 -0.318 25638 8837 1 15 . 1 1 32 32 GLU N N 32 122.391 122.391 119.412 2.979 25638 8838 1 15 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.266 -0.078 25638 8839 1 15 . 1 1 32 32 GLU C C 32 177.401 177.401 176.791 0.610 25638 8840 1 15 . 1 1 32 32 GLU CA C 32 56.389 56.389 55.918 0.471 25638 8841 1 15 . 1 1 32 32 GLU CB C 32 30.188 30.188 29.625 0.563 25638 8842 1 15 . 1 1 32 32 GLU H H 32 8.454 8.454 8.595 -0.141 25638 8843 1 15 . 1 1 33 33 LYS N N 33 123.127 123.127 118.478 4.649 25638 8844 1 15 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.072 0.104 25638 8845 1 15 . 1 1 33 33 LYS C C 33 178.482 178.482 176.168 2.314 25638 8846 1 15 . 1 1 33 33 LYS CA C 33 57.127 57.127 57.128 -0.001 25638 8847 1 15 . 1 1 33 33 LYS CB C 33 32.640 32.640 31.203 1.437 25638 8848 1 15 . 1 1 33 33 LYS H H 33 8.338 8.338 7.788 0.550 25638 8849 1 15 . 1 1 34 34 GLY N N 34 109.507 109.507 106.115 3.392 25638 8850 1 15 . 1 1 34 34 GLY C C 34 175.475 175.475 174.292 1.183 25638 8851 1 15 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.359 -0.041 25638 8852 1 15 . 1 1 34 34 GLY H H 34 8.643 8.643 8.464 0.179 25638 8853 1 15 . 1 1 35 35 LEU N N 35 120.392 120.392 118.516 1.876 25638 8854 1 15 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.661 -0.146 25638 8855 1 15 . 1 1 35 35 LEU C C 35 178.797 178.797 176.369 2.428 25638 8856 1 15 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.447 1.002 25638 8857 1 15 . 1 1 35 35 LEU CB C 35 43.116 43.116 44.214 -1.098 25638 8858 1 15 . 1 1 35 35 LEU H H 35 7.480 7.480 7.449 0.031 25638 8859 1 15 . 1 1 36 36 SER N N 36 118.629 118.629 116.072 2.557 25638 8860 1 15 . 1 1 36 36 SER HA H 36 4.471 4.471 4.534 -0.063 25638 8861 1 15 . 1 1 36 36 SER C C 36 175.632 175.632 175.350 0.282 25638 8862 1 15 . 1 1 36 36 SER CA C 36 57.814 57.814 57.907 -0.093 25638 8863 1 15 . 1 1 36 36 SER CB C 36 64.678 64.678 63.998 0.680 25638 8864 1 15 . 1 1 36 36 SER H H 36 8.838 8.838 8.230 0.608 25638 8865 1 15 . 1 1 37 37 GLU N N 37 122.722 122.722 123.854 -1.132 25638 8866 1 15 . 1 1 37 37 GLU HA H 37 4.014 4.014 3.990 0.024 25638 8867 1 15 . 1 1 37 37 GLU C C 37 179.976 179.976 178.760 1.216 25638 8868 1 15 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.965 0.613 25638 8869 1 15 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.594 -0.245 25638 8870 1 15 . 1 1 37 37 GLU H H 37 9.018 9.018 8.970 0.048 25638 8871 1 15 . 1 1 38 38 ARG N N 38 118.418 118.418 118.287 0.131 25638 8872 1 15 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.138 -0.025 25638 8873 1 15 . 1 1 38 38 ARG C C 38 180.212 180.212 178.146 2.066 25638 8874 1 15 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.521 0.927 25638 8875 1 15 . 1 1 38 38 ARG CB C 38 29.807 29.807 29.955 -0.148 25638 8876 1 15 . 1 1 38 38 ARG H H 38 8.509 8.509 8.515 -0.006 25638 8877 1 15 . 1 1 39 39 GLU N N 39 119.730 119.730 119.110 0.620 25638 8878 1 15 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.259 -0.169 25638 8879 1 15 . 1 1 39 39 GLU C C 39 180.529 180.529 178.814 1.715 25638 8880 1 15 . 1 1 39 39 GLU CA C 39 58.893 58.893 58.496 0.397 25638 8881 1 15 . 1 1 39 39 GLU CB C 39 30.557 30.557 29.350 1.207 25638 8882 1 15 . 1 1 39 39 GLU H H 39 7.761 7.761 7.560 0.201 25638 8883 1 15 . 1 1 40 40 GLN N N 40 121.665 121.665 119.927 1.738 25638 8884 1 15 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.043 0.001 25638 8885 1 15 . 1 1 40 40 GLN C C 40 179.760 179.760 178.397 1.363 25638 8886 1 15 . 1 1 40 40 GLN CA C 40 59.370 59.370 59.020 0.349 25638 8887 1 15 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.465 0.023 25638 8888 1 15 . 1 1 40 40 GLN H H 40 8.871 8.871 8.263 0.608 25638 8889 1 15 . 1 1 41 41 LEU N N 41 121.002 121.002 118.456 2.546 25638 8890 1 15 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.188 0.039 25638 8891 1 15 . 1 1 41 41 LEU C C 41 180.841 180.841 179.438 1.403 25638 8892 1 15 . 1 1 41 41 LEU CA C 41 58.290 58.290 57.688 0.602 25638 8893 1 15 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.062 0.539 25638 8894 1 15 . 1 1 41 41 LEU H H 41 8.140 8.140 8.216 -0.076 25638 8895 1 15 . 1 1 42 42 GLU N N 42 119.818 119.818 120.528 -0.710 25638 8896 1 15 . 1 1 42 42 GLU HA H 42 4.234 4.234 4.107 0.127 25638 8897 1 15 . 1 1 42 42 GLU C C 42 179.603 179.603 178.474 1.129 25638 8898 1 15 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.423 -0.513 25638 8899 1 15 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.718 -0.751 25638 8900 1 15 . 1 1 42 42 GLU H H 42 7.894 7.894 7.685 0.209 25638 8901 1 15 . 1 1 43 43 HIS N N 43 119.964 119.964 119.347 0.617 25638 8902 1 15 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.287 0.134 25638 8903 1 15 . 1 1 43 43 HIS C C 43 179.140 179.140 177.750 1.390 25638 8904 1 15 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.273 -0.460 25638 8905 1 15 . 1 1 43 43 HIS CB C 43 29.444 29.444 29.889 -0.445 25638 8906 1 15 . 1 1 43 43 HIS H H 43 8.437 8.437 8.829 -0.392 25638 8907 1 15 . 1 1 44 44 THR N N 44 117.768 117.768 116.567 1.201 25638 8908 1 15 . 1 1 44 44 THR HA H 44 3.884 3.884 4.032 -0.148 25638 8909 1 15 . 1 1 44 44 THR C C 44 179.008 179.008 176.587 2.421 25638 8910 1 15 . 1 1 44 44 THR CA C 44 67.603 67.603 67.769 -0.166 25638 8911 1 15 . 1 1 44 44 THR CB C 44 68.981 68.981 68.411 0.570 25638 8912 1 15 . 1 1 44 44 THR H H 44 8.589 8.589 8.448 0.141 25638 8913 1 15 . 1 1 45 45 ARG N N 45 121.750 121.750 121.596 0.154 25638 8914 1 15 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.140 -0.261 25638 8915 1 15 . 1 1 45 45 ARG C C 45 178.817 178.817 178.893 -0.076 25638 8916 1 15 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.901 0.958 25638 8917 1 15 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.767 0.949 25638 8918 1 15 . 1 1 45 45 ARG H H 45 8.255 8.255 7.731 0.524 25638 8919 1 15 . 1 1 46 46 GLN N N 46 116.576 116.576 119.267 -2.691 25638 8920 1 15 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.101 -0.076 25638 8921 1 15 . 1 1 46 46 GLN C C 46 181.018 181.018 178.483 2.535 25638 8922 1 15 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.553 1.022 25638 8923 1 15 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.089 -0.334 25638 8924 1 15 . 1 1 46 46 GLN H H 46 8.328 8.328 8.183 0.145 25638 8925 1 15 . 1 1 47 47 CYS N N 47 118.569 118.569 119.388 -0.819 25638 8926 1 15 . 1 1 47 47 CYS HA H 47 4.083 4.083 3.993 0.090 25638 8927 1 15 . 1 1 47 47 CYS C C 47 177.244 177.244 177.072 0.172 25638 8928 1 15 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.327 -0.223 25638 8929 1 15 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.102 -0.039 25638 8930 1 15 . 1 1 47 47 CYS H H 47 8.029 8.029 8.453 -0.424 25638 8931 1 15 . 1 1 48 48 LEU N N 48 119.873 119.873 121.899 -2.026 25638 8932 1 15 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.075 -0.006 25638 8933 1 15 . 1 1 48 48 LEU C C 48 179.839 179.839 178.904 0.935 25638 8934 1 15 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.481 -0.168 25638 8935 1 15 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.756 0.469 25638 8936 1 15 . 1 1 48 48 LEU H H 48 8.539 8.539 8.345 0.194 25638 8937 1 15 . 1 1 49 49 ILE N N 49 119.523 119.523 116.495 3.028 25638 8938 1 15 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.171 -0.201 25638 8939 1 15 . 1 1 49 49 ILE C C 49 178.188 178.188 177.949 0.239 25638 8940 1 15 . 1 1 49 49 ILE CA C 49 66.211 66.211 64.957 1.254 25638 8941 1 15 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.175 0.820 25638 8942 1 15 . 1 1 49 49 ILE H H 49 8.516 8.516 8.396 0.120 25638 8943 1 15 . 1 1 50 50 LYS N N 50 118.622 118.622 120.112 -1.490 25638 8944 1 15 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.193 -0.000 25638 8945 1 15 . 1 1 50 50 LYS C C 50 181.391 181.391 179.049 2.342 25638 8946 1 15 . 1 1 50 50 LYS CA C 50 59.547 59.547 58.920 0.627 25638 8947 1 15 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.149 0.441 25638 8948 1 15 . 1 1 50 50 LYS H H 50 7.522 7.522 7.991 -0.469 25638 8949 1 15 . 1 1 51 51 ILE N N 51 119.288 119.288 120.717 -1.429 25638 8950 1 15 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.574 -0.125 25638 8951 1 15 . 1 1 51 51 ILE C C 51 178.384 178.384 177.707 0.677 25638 8952 1 15 . 1 1 51 51 ILE CA C 51 65.767 65.767 66.006 -0.239 25638 8953 1 15 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.842 1.138 25638 8954 1 15 . 1 1 51 51 ILE H H 51 8.107 8.107 8.700 -0.593 25638 8955 1 15 . 1 1 52 52 GLY N N 52 108.211 108.211 106.524 1.687 25638 8956 1 15 . 1 1 52 52 GLY C C 52 178.168 178.168 175.655 2.513 25638 8957 1 15 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.703 0.361 25638 8958 1 15 . 1 1 52 52 GLY H H 52 9.224 9.224 8.180 1.044 25638 8959 1 15 . 1 1 53 53 ASP N N 53 124.013 124.013 122.894 1.119 25638 8960 1 15 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.518 0.016 25638 8961 1 15 . 1 1 53 53 ASP C C 53 179.976 179.976 178.106 1.870 25638 8962 1 15 . 1 1 53 53 ASP CA C 53 57.628 57.628 56.951 0.677 25638 8963 1 15 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.835 -1.553 25638 8964 1 15 . 1 1 53 53 ASP H H 53 9.091 9.091 8.147 0.944 25638 8965 1 15 . 1 1 54 54 HIS N N 54 121.598 121.598 119.448 2.150 25638 8966 1 15 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.210 0.196 25638 8967 1 15 . 1 1 54 54 HIS C C 54 178.982 178.982 177.976 1.006 25638 8968 1 15 . 1 1 54 54 HIS CA C 54 60.460 60.460 60.152 0.308 25638 8969 1 15 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.819 1.748 25638 8970 1 15 . 1 1 54 54 HIS H H 54 7.664 7.664 7.953 -0.289 25638 8971 1 15 . 1 1 55 55 ILE N N 55 121.892 121.892 119.999 1.893 25638 8972 1 15 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.497 -0.313 25638 8973 1 15 . 1 1 55 55 ILE C C 55 178.188 178.188 177.355 0.833 25638 8974 1 15 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.409 2.268 25638 8975 1 15 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.516 -0.272 25638 8976 1 15 . 1 1 55 55 ILE H H 55 8.255 8.255 8.501 -0.246 25638 8977 1 15 . 1 1 56 56 THR N N 56 115.458 115.458 117.392 -1.934 25638 8978 1 15 . 1 1 56 56 THR HA H 56 3.759 3.759 3.814 -0.055 25638 8979 1 15 . 1 1 56 56 THR C C 56 180.195 180.195 176.911 3.284 25638 8980 1 15 . 1 1 56 56 THR CA C 56 67.551 67.551 67.392 0.159 25638 8981 1 15 . 1 1 56 56 THR CB C 56 68.756 68.756 68.564 0.192 25638 8982 1 15 . 1 1 56 56 THR H H 56 8.047 8.047 7.882 0.165 25638 8983 1 15 . 1 1 57 57 GLU N N 57 121.544 121.544 119.230 2.314 25638 8984 1 15 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.123 -0.169 25638 8985 1 15 . 1 1 57 57 GLU C C 57 180.979 180.979 178.269 2.710 25638 8986 1 15 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.037 0.342 25638 8987 1 15 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.215 -0.475 25638 8988 1 15 . 1 1 57 57 GLU H H 57 7.591 7.591 8.600 -1.009 25638 8989 1 15 . 1 1 58 58 CYS N N 58 118.970 118.970 117.492 1.478 25638 8990 1 15 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.148 -0.208 25638 8991 1 15 . 1 1 58 58 CYS C C 58 178.089 178.089 176.456 1.633 25638 8992 1 15 . 1 1 58 58 CYS CA C 58 63.222 63.222 60.876 2.346 25638 8993 1 15 . 1 1 58 58 CYS CB C 58 26.562 26.562 28.247 -1.685 25638 8994 1 15 . 1 1 58 58 CYS H H 58 8.206 8.206 7.488 0.718 25638 8995 1 15 . 1 1 59 59 LEU N N 59 116.873 116.873 121.148 -4.275 25638 8996 1 15 . 1 1 59 59 LEU HA H 59 4.251 4.251 3.895 0.356 25638 8997 1 15 . 1 1 59 59 LEU C C 59 179.033 179.033 179.191 -0.158 25638 8998 1 15 . 1 1 59 59 LEU CA C 59 56.039 56.039 58.291 -2.252 25638 8999 1 15 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.604 -0.567 25638 9000 1 15 . 1 1 59 59 LEU H H 59 7.726 7.726 8.690 -0.964 25638 9001 1 15 . 1 1 60 60 LYS N N 60 117.911 117.911 117.526 0.385 25638 9002 1 15 . 1 1 60 60 LYS HA H 60 4.131 4.131 3.972 0.159 25638 9003 1 15 . 1 1 60 60 LYS C C 60 177.912 177.912 179.256 -1.344 25638 9004 1 15 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.435 0.102 25638 9005 1 15 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.202 1.188 25638 9006 1 15 . 1 1 60 60 LYS H H 60 7.298 7.298 8.510 -1.212 25638 9007 1 15 . 1 1 61 61 GLU N N 61 115.507 115.507 119.028 -3.521 25638 9008 1 15 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.962 -0.073 25638 9009 1 15 . 1 1 61 61 GLU C C 61 176.576 176.576 178.289 -1.713 25638 9010 1 15 . 1 1 61 61 GLU CA C 61 57.051 57.051 58.628 -1.577 25638 9011 1 15 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.120 0.613 25638 9012 1 15 . 1 1 61 61 GLU H H 61 7.084 7.084 7.303 -0.219 25638 9013 1 15 . 1 1 62 62 TYR N N 62 118.581 118.581 116.651 1.930 25638 9014 1 15 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.364 0.342 25638 9015 1 15 . 1 1 62 62 TYR C C 62 175.935 175.935 177.148 -1.213 25638 9016 1 15 . 1 1 62 62 TYR CA C 62 57.147 57.147 59.172 -2.025 25638 9017 1 15 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.711 1.674 25638 9018 1 15 . 1 1 62 62 TYR H H 62 7.387 7.387 7.533 -0.146 25638 9019 1 15 . 1 1 63 63 THR N N 63 109.064 109.064 113.097 -4.033 25638 9020 1 15 . 1 1 63 63 THR HA H 63 4.507 4.507 3.953 0.554 25638 9021 1 15 . 1 1 63 63 THR C C 63 175.888 175.888 174.234 1.654 25638 9022 1 15 . 1 1 63 63 THR CA C 63 61.684 61.684 63.691 -2.007 25638 9023 1 15 . 1 1 63 63 THR CB C 63 70.092 70.092 68.291 1.801 25638 9024 1 15 . 1 1 63 63 THR H H 63 8.471 8.471 8.014 0.457 25638 9025 1 15 . 1 1 64 64 ASN N N 64 123.204 123.204 119.206 3.998 25638 9026 1 15 . 1 1 64 64 ASN HA H 64 5.171 5.171 5.081 0.090 25638 9027 1 15 . 1 1 64 64 ASN C C 64 175.495 175.495 174.139 1.356 25638 9028 1 15 . 1 1 64 64 ASN CA C 64 51.137 51.137 50.778 0.359 25638 9029 1 15 . 1 1 64 64 ASN CB C 64 39.680 39.680 39.399 0.281 25638 9030 1 15 . 1 1 64 64 ASN H H 64 7.993 7.993 7.727 0.266 25638 9031 1 15 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.419 -0.149 25638 9032 1 15 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.624 0.068 25638 9033 1 15 . 1 1 65 65 PRO CB C 65 32.399 32.399 31.961 0.438 25638 9034 1 15 . 1 1 66 66 GLU N N 66 118.060 118.060 118.270 -0.210 25638 9035 1 15 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.110 0.022 25638 9036 1 15 . 1 1 66 66 GLU C C 66 180.409 180.409 179.209 1.200 25638 9037 1 15 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.819 -0.445 25638 9038 1 15 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.480 0.324 25638 9039 1 15 . 1 1 66 66 GLU H H 66 8.297 8.297 8.948 -0.651 25638 9040 1 15 . 1 1 67 67 GLN N N 67 120.531 120.531 119.027 1.504 25638 9041 1 15 . 1 1 67 67 GLN HA H 67 4.167 4.167 4.070 0.097 25638 9042 1 15 . 1 1 67 67 GLN C C 67 179.072 179.072 178.809 0.263 25638 9043 1 15 . 1 1 67 67 GLN CA C 67 58.828 58.828 58.994 -0.166 25638 9044 1 15 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.677 0.566 25638 9045 1 15 . 1 1 67 67 GLN H H 67 7.738 7.738 7.679 0.059 25638 9046 1 15 . 1 1 68 68 ILE N N 68 119.632 119.632 117.964 1.668 25638 9047 1 15 . 1 1 68 68 ILE HA H 68 3.548 3.548 4.005 -0.457 25638 9048 1 15 . 1 1 68 68 ILE C C 68 178.109 178.109 178.120 -0.011 25638 9049 1 15 . 1 1 68 68 ILE CA C 68 66.597 66.597 64.755 1.842 25638 9050 1 15 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.387 1.552 25638 9051 1 15 . 1 1 68 68 ILE H H 68 7.956 7.956 8.463 -0.507 25638 9052 1 15 . 1 1 69 69 LYS N N 69 117.236 117.236 120.164 -2.928 25638 9053 1 15 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.941 -0.012 25638 9054 1 15 . 1 1 69 69 LYS C C 69 180.271 180.271 179.153 1.118 25638 9055 1 15 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.694 0.227 25638 9056 1 15 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.152 0.455 25638 9057 1 15 . 1 1 69 69 LYS H H 69 7.665 7.665 8.195 -0.530 25638 9058 1 15 . 1 1 70 70 GLN N N 70 118.748 118.748 119.217 -0.469 25638 9059 1 15 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.068 -0.213 25638 9060 1 15 . 1 1 70 70 GLN C C 70 179.131 179.131 178.205 0.926 25638 9061 1 15 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.456 -0.204 25638 9062 1 15 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.353 0.324 25638 9063 1 15 . 1 1 70 70 GLN H H 70 7.787 7.787 7.982 -0.195 25638 9064 1 15 . 1 1 71 71 TRP N N 71 118.896 118.896 120.374 -1.478 25638 9065 1 15 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.216 -0.173 25638 9066 1 15 . 1 1 71 71 TRP C C 71 178.679 178.679 178.422 0.257 25638 9067 1 15 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.606 1.343 25638 9068 1 15 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.216 -0.972 25638 9069 1 15 . 1 1 71 71 TRP H H 71 8.374 8.374 8.702 -0.328 25638 9070 1 15 . 1 1 72 72 ARG N N 72 122.698 122.698 119.068 3.630 25638 9071 1 15 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.891 -0.072 25638 9072 1 15 . 1 1 72 72 ARG C C 72 178.561 178.561 178.209 0.352 25638 9073 1 15 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.953 1.079 25638 9074 1 15 . 1 1 72 72 ARG CB C 72 30.269 30.269 29.842 0.427 25638 9075 1 15 . 1 1 72 72 ARG H H 72 8.808 8.808 8.129 0.679 25638 9076 1 15 . 1 1 73 73 LYS N N 73 116.946 116.946 118.990 -2.044 25638 9077 1 15 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.152 0.028 25638 9078 1 15 . 1 1 73 73 LYS C C 73 179.622 179.622 179.332 0.290 25638 9079 1 15 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.738 -0.203 25638 9080 1 15 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.208 -0.493 25638 9081 1 15 . 1 1 73 73 LYS H H 73 7.380 7.380 7.784 -0.404 25638 9082 1 15 . 1 1 74 74 ASN N N 74 116.434 116.434 119.293 -2.859 25638 9083 1 15 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.538 -0.261 25638 9084 1 15 . 1 1 74 74 ASN C C 74 178.148 178.148 177.958 0.190 25638 9085 1 15 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.123 -0.260 25638 9086 1 15 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.120 -0.086 25638 9087 1 15 . 1 1 74 74 ASN H H 74 8.309 8.309 8.141 0.168 25638 9088 1 15 . 1 1 75 75 LEU N N 75 118.967 118.967 120.759 -1.792 25638 9089 1 15 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.255 -0.130 25638 9090 1 15 . 1 1 75 75 LEU C C 75 180.251 180.251 179.000 1.251 25638 9091 1 15 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.170 0.657 25638 9092 1 15 . 1 1 75 75 LEU CB C 75 40.984 40.984 40.782 0.202 25638 9093 1 15 . 1 1 75 75 LEU H H 75 8.635 8.635 8.627 0.008 25638 9094 1 15 . 1 1 76 76 TRP N N 76 118.544 118.544 120.010 -1.466 25638 9095 1 15 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.319 0.260 25638 9096 1 15 . 1 1 76 76 TRP C C 76 180.900 180.900 179.156 1.744 25638 9097 1 15 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.745 0.672 25638 9098 1 15 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.397 -0.299 25638 9099 1 15 . 1 1 76 76 TRP H H 76 8.006 8.006 7.468 0.538 25638 9100 1 15 . 1 1 77 77 ILE N N 77 121.982 121.982 120.637 1.345 25638 9101 1 15 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.838 -0.007 25638 9102 1 15 . 1 1 77 77 ILE C C 77 181.254 181.254 179.061 2.193 25638 9103 1 15 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.497 0.544 25638 9104 1 15 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.201 -0.851 25638 9105 1 15 . 1 1 77 77 ILE H H 77 8.893 8.893 8.905 -0.012 25638 9106 1 15 . 1 1 78 78 PHE N N 78 123.458 123.458 121.999 1.459 25638 9107 1 15 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.221 -0.177 25638 9108 1 15 . 1 1 78 78 PHE C C 78 177.618 177.618 177.487 0.131 25638 9109 1 15 . 1 1 78 78 PHE CA C 78 63.080 63.080 62.023 1.057 25638 9110 1 15 . 1 1 78 78 PHE CB C 78 38.710 38.710 38.828 -0.118 25638 9111 1 15 . 1 1 78 78 PHE H H 78 8.753 8.753 8.595 0.158 25638 9112 1 15 . 1 1 79 79 VAL N N 79 117.726 117.726 119.127 -1.401 25638 9113 1 15 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.538 -0.059 25638 9114 1 15 . 1 1 79 79 VAL C C 79 178.876 178.876 177.624 1.252 25638 9115 1 15 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.645 0.168 25638 9116 1 15 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.593 -0.021 25638 9117 1 15 . 1 1 79 79 VAL H H 79 8.232 8.232 8.316 -0.084 25638 9118 1 15 . 1 1 80 80 SER N N 80 114.568 114.568 113.644 0.924 25638 9119 1 15 . 1 1 80 80 SER HA H 80 4.339 4.339 4.438 -0.099 25638 9120 1 15 . 1 1 80 80 SER C C 80 176.261 176.261 175.184 1.077 25638 9121 1 15 . 1 1 80 80 SER CA C 80 61.337 61.337 60.027 1.310 25638 9122 1 15 . 1 1 80 80 SER CB C 80 62.712 62.712 62.347 0.365 25638 9123 1 15 . 1 1 80 80 SER H H 80 8.353 8.353 8.229 0.124 25638 9124 1 15 . 1 1 81 81 LYS N N 81 121.180 121.180 121.186 -0.006 25638 9125 1 15 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.476 -0.278 25638 9126 1 15 . 1 1 81 81 LYS C C 81 178.305 178.305 177.548 0.757 25638 9127 1 15 . 1 1 81 81 LYS CA C 81 57.104 57.104 57.146 -0.042 25638 9128 1 15 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.850 -2.191 25638 9129 1 15 . 1 1 81 81 LYS H H 81 7.481 7.481 7.461 0.020 25638 9130 1 15 . 1 1 82 82 PHE N N 82 117.950 117.950 118.623 -0.673 25638 9131 1 15 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.298 0.099 25638 9132 1 15 . 1 1 82 82 PHE C C 82 174.787 174.787 177.045 -2.258 25638 9133 1 15 . 1 1 82 82 PHE CA C 82 58.398 58.398 60.815 -2.417 25638 9134 1 15 . 1 1 82 82 PHE CB C 82 38.937 38.937 39.080 -0.143 25638 9135 1 15 . 1 1 82 82 PHE H H 82 8.256 8.256 7.836 0.420 25638 9136 1 15 . 1 1 83 83 THR N N 83 109.995 109.995 112.193 -2.198 25638 9137 1 15 . 1 1 83 83 THR HA H 83 4.988 4.988 4.458 0.530 25638 9138 1 15 . 1 1 83 83 THR C C 83 174.138 174.138 174.595 -0.457 25638 9139 1 15 . 1 1 83 83 THR CA C 83 59.609 59.609 61.687 -2.078 25638 9140 1 15 . 1 1 83 83 THR CB C 83 71.080 71.080 70.427 0.654 25638 9141 1 15 . 1 1 83 83 THR H H 83 7.665 7.665 8.002 -0.337 25638 9142 1 15 . 1 1 84 84 GLU N N 84 119.416 119.416 121.397 -1.981 25638 9143 1 15 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.287 0.108 25638 9144 1 15 . 1 1 84 84 GLU C C 84 177.912 177.912 176.641 1.271 25638 9145 1 15 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.031 -0.534 25638 9146 1 15 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.966 -0.444 25638 9147 1 15 . 1 1 84 84 GLU H H 84 8.409 8.409 8.785 -0.376 25638 9148 1 15 . 1 1 85 85 PHE N N 85 120.265 120.265 120.715 -0.450 25638 9149 1 15 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.417 0.474 25638 9150 1 15 . 1 1 85 85 PHE C C 85 175.809 175.809 175.401 0.408 25638 9151 1 15 . 1 1 85 85 PHE CA C 85 56.109 56.109 58.332 -2.223 25638 9152 1 15 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.510 1.678 25638 9153 1 15 . 1 1 85 85 PHE H H 85 8.210 8.210 7.505 0.705 25638 9154 1 15 . 1 1 86 86 ASP N N 86 118.128 118.128 122.716 -4.588 25638 9155 1 15 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.513 0.223 25638 9156 1 15 . 1 1 86 86 ASP C C 86 176.986 176.986 177.454 -0.468 25638 9157 1 15 . 1 1 86 86 ASP CA C 86 53.183 53.183 54.502 -1.319 25638 9158 1 15 . 1 1 86 86 ASP CB C 86 42.533 42.533 43.147 -0.614 25638 9159 1 15 . 1 1 86 86 ASP H H 86 8.119 8.119 8.543 -0.424 25638 9160 1 15 . 1 1 87 87 ALA N N 87 121.912 121.912 128.298 -6.386 25638 9161 1 15 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.102 -0.113 25638 9162 1 15 . 1 1 87 87 ALA C C 87 180.378 180.378 179.622 0.756 25638 9163 1 15 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.235 0.840 25638 9164 1 15 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.990 1.217 25638 9165 1 15 . 1 1 87 87 ALA H H 87 8.757 8.757 8.944 -0.187 25638 9166 1 15 . 1 1 88 88 ARG N N 88 117.072 117.072 117.659 -0.587 25638 9167 1 15 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.986 -0.030 25638 9168 1 15 . 1 1 88 88 ARG C C 88 179.975 179.975 178.689 1.286 25638 9169 1 15 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.359 -0.107 25638 9170 1 15 . 1 1 88 88 ARG CB C 88 29.613 29.613 30.102 -0.489 25638 9171 1 15 . 1 1 88 88 ARG H H 88 8.147 8.147 8.418 -0.271 25638 9172 1 15 . 1 1 89 89 LYS N N 89 121.809 121.809 120.850 0.959 25638 9173 1 15 . 1 1 89 89 LYS HA H 89 3.909 3.909 3.997 -0.088 25638 9174 1 15 . 1 1 89 89 LYS C C 89 179.505 179.505 178.933 0.572 25638 9175 1 15 . 1 1 89 89 LYS CA C 89 58.986 58.986 59.148 -0.162 25638 9176 1 15 . 1 1 89 89 LYS CB C 89 32.334 32.334 31.869 0.465 25638 9177 1 15 . 1 1 89 89 LYS H H 89 8.022 8.022 7.664 0.358 25638 9178 1 15 . 1 1 90 90 LEU N N 90 118.429 118.429 120.644 -2.215 25638 9179 1 15 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.769 -0.025 25638 9180 1 15 . 1 1 90 90 LEU C C 90 178.069 178.069 177.524 0.545 25638 9181 1 15 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.366 -0.323 25638 9182 1 15 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.930 0.532 25638 9183 1 15 . 1 1 90 90 LEU H H 90 8.139 8.139 8.666 -0.527 25638 9184 1 15 . 1 1 91 91 HIS N N 91 117.214 117.214 117.697 -0.483 25638 9185 1 15 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.060 0.919 25638 9186 1 15 . 1 1 91 91 HIS C C 91 178.069 178.069 176.976 1.093 25638 9187 1 15 . 1 1 91 91 HIS CA C 91 58.178 58.178 59.418 -1.240 25638 9188 1 15 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.099 0.329 25638 9189 1 15 . 1 1 91 91 HIS H H 91 7.379 7.379 7.650 -0.271 25638 9190 1 15 . 1 1 92 92 LYS N N 92 118.466 118.466 119.080 -0.614 25638 9191 1 15 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.781 -0.146 25638 9192 1 15 . 1 1 92 92 LYS C C 92 180.310 180.310 178.570 1.740 25638 9193 1 15 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.425 0.499 25638 9194 1 15 . 1 1 92 92 LYS CB C 92 32.365 32.365 31.919 0.446 25638 9195 1 15 . 1 1 92 92 LYS H H 92 7.599 7.599 7.839 -0.240 25638 9196 1 15 . 1 1 93 93 LEU N N 93 120.752 120.752 122.387 -1.635 25638 9197 1 15 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.823 0.160 25638 9198 1 15 . 1 1 93 93 LEU C C 93 181.269 181.269 178.180 3.089 25638 9199 1 15 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.016 -0.016 25638 9200 1 15 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.331 1.008 25638 9201 1 15 . 1 1 93 93 LEU H H 93 8.351 8.351 8.117 0.234 25638 9202 1 15 . 1 1 94 94 TYR N N 94 122.311 122.311 120.082 2.229 25638 9203 1 15 . 1 1 94 94 TYR HA H 94 4.136 4.136 3.962 0.174 25638 9204 1 15 . 1 1 94 94 TYR C C 94 176.789 176.789 177.374 -0.585 25638 9205 1 15 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.940 -0.640 25638 9206 1 15 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.267 0.311 25638 9207 1 15 . 1 1 94 94 TYR H H 94 8.290 8.290 8.653 -0.363 25638 9208 1 15 . 1 1 95 95 LYS N N 95 117.851 117.851 118.545 -0.694 25638 9209 1 15 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.506 -0.080 25638 9210 1 15 . 1 1 95 95 LYS C C 95 180.684 180.684 179.023 1.661 25638 9211 1 15 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.631 -0.252 25638 9212 1 15 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.138 -0.890 25638 9213 1 15 . 1 1 95 95 LYS H H 95 8.180 8.180 8.011 0.169 25638 9214 1 15 . 1 1 96 96 HIS N N 96 117.611 117.611 118.044 -0.433 25638 9215 1 15 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.232 -0.019 25638 9216 1 15 . 1 1 96 96 HIS C C 96 178.266 178.266 177.205 1.061 25638 9217 1 15 . 1 1 96 96 HIS CA C 96 59.274 59.274 58.869 0.405 25638 9218 1 15 . 1 1 96 96 HIS CB C 96 30.203 30.203 30.128 0.075 25638 9219 1 15 . 1 1 96 96 HIS H H 96 8.049 8.049 8.312 -0.263 25638 9220 1 15 . 1 1 97 97 ALA N N 97 122.617 122.617 121.641 0.976 25638 9221 1 15 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.032 0.059 25638 9222 1 15 . 1 1 97 97 ALA C C 97 181.352 181.352 179.626 1.726 25638 9223 1 15 . 1 1 97 97 ALA CA C 97 54.645 54.645 54.866 -0.221 25638 9224 1 15 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.327 -0.558 25638 9225 1 15 . 1 1 97 97 ALA H H 97 8.104 8.104 8.485 -0.381 25638 9226 1 15 . 1 1 98 98 ILE N N 98 111.626 111.626 118.764 -7.138 25638 9227 1 15 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.884 0.225 25638 9228 1 15 . 1 1 98 98 ILE C C 98 178.561 178.561 176.763 1.798 25638 9229 1 15 . 1 1 98 98 ILE CA C 98 62.730 62.730 61.931 0.799 25638 9230 1 15 . 1 1 98 98 ILE CB C 98 37.646 37.646 38.489 -0.843 25638 9231 1 15 . 1 1 98 98 ILE H H 98 7.636 7.636 7.882 -0.246 25638 9232 1 15 . 1 1 99 99 LYS N N 99 124.158 124.158 120.522 3.636 25638 9233 1 15 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.938 0.107 25638 9234 1 15 . 1 1 99 99 LYS C C 99 179.111 179.111 178.368 0.743 25638 9235 1 15 . 1 1 99 99 LYS CA C 99 59.070 59.070 58.855 0.215 25638 9236 1 15 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.135 0.037 25638 9237 1 15 . 1 1 99 99 LYS H H 99 7.359 7.359 7.753 -0.394 25638 9238 1 15 . 1 1 100 100 LYS N N 100 118.333 118.333 117.939 0.394 25638 9239 1 15 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.037 0.106 25638 9240 1 15 . 1 1 100 100 LYS C C 100 179.111 179.111 178.372 0.739 25638 9241 1 15 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.029 -0.817 25638 9242 1 15 . 1 1 100 100 LYS CB C 100 31.742 31.742 31.988 -0.246 25638 9243 1 15 . 1 1 100 100 LYS H H 100 7.937 7.937 8.332 -0.395 25638 9244 1 15 . 1 1 101 101 ARG N N 101 121.125 121.125 120.165 0.960 25638 9245 1 15 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.144 -0.015 25638 9246 1 15 . 1 1 101 101 ARG C C 101 178.541 178.541 177.736 0.805 25638 9247 1 15 . 1 1 101 101 ARG CA C 101 58.166 58.166 57.437 0.729 25638 9248 1 15 . 1 1 101 101 ARG CB C 101 30.591 30.591 29.749 0.842 25638 9249 1 15 . 1 1 101 101 ARG H H 101 7.895 7.895 7.897 -0.002 25638 9250 1 15 . 1 1 102 102 GLN N N 102 119.756 119.756 115.620 4.136 25638 9251 1 15 . 1 1 102 102 GLN HA H 102 4.207 4.207 3.954 0.253 25638 9252 1 15 . 1 1 102 102 GLN C C 102 178.129 178.129 175.605 2.524 25638 9253 1 15 . 1 1 102 102 GLN CA C 102 56.912 56.912 57.710 -0.798 25638 9254 1 15 . 1 1 102 102 GLN CB C 102 28.921 28.921 27.693 1.228 25638 9255 1 15 . 1 1 102 102 GLN H H 102 8.167 8.167 8.374 -0.207 25638 9256 1 15 . 1 1 103 103 GLU N N 103 120.553 120.553 114.870 5.683 25638 9257 1 15 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.435 -0.235 25638 9258 1 15 . 1 1 103 103 GLU C C 103 178.286 178.286 175.813 2.473 25638 9259 1 15 . 1 1 103 103 GLU CA C 103 57.505 57.505 55.377 2.128 25638 9260 1 15 . 1 1 103 103 GLU CB C 103 29.924 29.924 30.269 -0.345 25638 9261 1 15 . 1 1 103 103 GLU H H 103 8.189 8.189 8.310 -0.121 25638 9262 1 15 . 1 1 104 104 SER N N 104 115.381 115.381 118.147 -2.766 25638 9263 1 15 . 1 1 104 104 SER HA H 104 4.431 4.431 4.330 0.101 25638 9264 1 15 . 1 1 104 104 SER C C 104 175.750 175.750 174.388 1.362 25638 9265 1 15 . 1 1 104 104 SER CA C 104 59.154 59.154 59.744 -0.590 25638 9266 1 15 . 1 1 104 104 SER CB C 104 63.456 63.456 62.765 0.691 25638 9267 1 15 . 1 1 104 104 SER H H 104 8.099 8.099 8.157 -0.058 25638 9268 1 15 . 1 1 105 105 GLN N N 105 121.635 121.635 123.677 -2.042 25638 9269 1 15 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.510 -0.175 25638 9270 1 15 . 1 1 105 105 GLN C C 105 177.008 177.008 175.245 1.763 25638 9271 1 15 . 1 1 105 105 GLN CA C 105 56.053 56.053 55.435 0.618 25638 9272 1 15 . 1 1 105 105 GLN CB C 105 29.128 29.128 29.497 -0.369 25638 9273 1 15 . 1 1 105 105 GLN H H 105 8.170 8.170 8.229 -0.059 25638 9274 1 15 . 1 1 106 106 GLN N N 106 120.850 120.850 119.748 1.102 25638 9275 1 15 . 1 1 106 106 GLN HA H 106 4.331 4.331 3.837 0.494 25638 9276 1 15 . 1 1 106 106 GLN C C 106 176.713 176.713 175.106 1.607 25638 9277 1 15 . 1 1 106 106 GLN CA C 106 55.951 55.951 56.499 -0.548 25638 9278 1 15 . 1 1 106 106 GLN CB C 106 29.254 29.254 28.265 0.989 25638 9279 1 15 . 1 1 106 106 GLN H H 106 8.281 8.281 8.796 -0.515 25638 9280 1 15 . 1 1 107 107 ASN N N 107 120.271 120.271 118.538 1.733 25638 9281 1 15 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.320 0.470 25638 9282 1 15 . 1 1 107 107 ASN C C 107 175.337 175.337 174.044 1.293 25638 9283 1 15 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.584 -0.230 25638 9284 1 15 . 1 1 107 107 ASN CB C 107 39.094 39.094 37.969 1.125 25638 9285 1 15 . 1 1 107 107 ASN H H 107 8.434 8.434 8.445 -0.011 25638 9286 1 16 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.557 -0.112 25638 9287 1 16 . 1 1 2 2 PRO C C 2 178.089 178.089 176.938 1.151 25638 9288 1 16 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.478 0.828 25638 9289 1 16 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.517 -0.049 25638 9290 1 16 . 1 1 3 3 LEU N N 3 122.239 122.239 119.695 2.544 25638 9291 1 16 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.043 0.254 25638 9292 1 16 . 1 1 3 3 LEU C C 3 178.876 178.876 176.349 2.527 25638 9293 1 16 . 1 1 3 3 LEU CA C 3 55.529 55.529 55.206 0.323 25638 9294 1 16 . 1 1 3 3 LEU CB C 3 42.150 42.150 40.896 1.254 25638 9295 1 16 . 1 1 3 3 LEU H H 3 8.522 8.522 8.534 -0.012 25638 9296 1 16 . 1 1 4 4 GLY N N 4 109.572 109.572 105.792 3.780 25638 9297 1 16 . 1 1 4 4 GLY C C 4 174.630 174.630 172.559 2.071 25638 9298 1 16 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.482 0.851 25638 9299 1 16 . 1 1 4 4 GLY H H 4 8.349 8.349 8.032 0.317 25638 9300 1 16 . 1 1 5 5 SER N N 5 115.481 115.481 114.503 0.978 25638 9301 1 16 . 1 1 5 5 SER HA H 5 4.513 4.513 4.649 -0.136 25638 9302 1 16 . 1 1 5 5 SER C C 5 174.667 174.667 173.402 1.265 25638 9303 1 16 . 1 1 5 5 SER CA C 5 57.801 57.801 57.079 0.722 25638 9304 1 16 . 1 1 5 5 SER CB C 5 64.536 64.536 65.668 -1.132 25638 9305 1 16 . 1 1 5 5 SER H H 5 8.119 8.119 8.149 -0.030 25638 9306 1 16 . 1 1 6 6 LEU N N 6 121.895 121.895 123.831 -1.936 25638 9307 1 16 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.240 0.414 25638 9308 1 16 . 1 1 6 6 LEU C C 6 177.932 177.932 176.531 1.401 25638 9309 1 16 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.848 -0.926 25638 9310 1 16 . 1 1 6 6 LEU CB C 6 44.606 44.606 41.637 2.969 25638 9311 1 16 . 1 1 6 6 LEU H H 6 8.319 8.319 8.381 -0.062 25638 9312 1 16 . 1 1 7 7 ASP N N 7 121.978 121.978 123.567 -1.589 25638 9313 1 16 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.517 0.089 25638 9314 1 16 . 1 1 7 7 ASP C C 7 176.477 176.477 177.660 -1.183 25638 9315 1 16 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.766 -1.548 25638 9316 1 16 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.822 -1.865 25638 9317 1 16 . 1 1 7 7 ASP H H 7 8.318 8.318 8.175 0.143 25638 9318 1 16 . 1 1 8 8 GLN N N 8 119.885 119.885 121.518 -1.633 25638 9319 1 16 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.012 0.074 25638 9320 1 16 . 1 1 8 8 GLN C C 8 179.710 179.710 178.130 1.580 25638 9321 1 16 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.585 0.240 25638 9322 1 16 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.947 -0.463 25638 9323 1 16 . 1 1 8 8 GLN H H 8 8.746 8.746 8.855 -0.109 25638 9324 1 16 . 1 1 9 9 LYS N N 9 120.863 120.863 120.145 0.718 25638 9325 1 16 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.072 0.125 25638 9326 1 16 . 1 1 9 9 LYS C C 9 180.333 180.333 178.625 1.708 25638 9327 1 16 . 1 1 9 9 LYS CA C 9 59.374 59.374 60.371 -0.997 25638 9328 1 16 . 1 1 9 9 LYS CB C 9 31.957 31.957 32.066 -0.109 25638 9329 1 16 . 1 1 9 9 LYS H H 9 8.454 8.454 8.669 -0.215 25638 9330 1 16 . 1 1 10 10 THR N N 10 118.654 118.654 116.664 1.990 25638 9331 1 16 . 1 1 10 10 THR HA H 10 3.985 3.985 4.282 -0.297 25638 9332 1 16 . 1 1 10 10 THR C C 10 177.904 177.904 176.871 1.033 25638 9333 1 16 . 1 1 10 10 THR CA C 10 67.618 67.618 66.907 0.710 25638 9334 1 16 . 1 1 10 10 THR CB C 10 67.523 67.523 68.434 -0.911 25638 9335 1 16 . 1 1 10 10 THR H H 10 8.531 8.531 7.982 0.549 25638 9336 1 16 . 1 1 11 11 PHE N N 11 123.876 123.876 122.886 0.990 25638 9337 1 16 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.492 -0.498 25638 9338 1 16 . 1 1 11 11 PHE C C 11 177.676 177.676 177.683 -0.007 25638 9339 1 16 . 1 1 11 11 PHE CA C 11 63.219 63.219 60.040 3.179 25638 9340 1 16 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.778 0.568 25638 9341 1 16 . 1 1 11 11 PHE H H 11 9.296 9.296 9.035 0.261 25638 9342 1 16 . 1 1 12 12 SER N N 12 114.219 114.219 115.995 -1.776 25638 9343 1 16 . 1 1 12 12 SER HA H 12 4.151 4.151 4.132 0.019 25638 9344 1 16 . 1 1 12 12 SER C C 12 177.922 177.922 177.026 0.896 25638 9345 1 16 . 1 1 12 12 SER CA C 12 62.899 62.899 61.764 1.135 25638 9346 1 16 . 1 1 12 12 SER CB C 12 63.194 63.194 63.041 0.153 25638 9347 1 16 . 1 1 12 12 SER H H 12 8.306 8.306 7.787 0.519 25638 9348 1 16 . 1 1 13 13 ILE N N 13 123.613 123.613 122.343 1.270 25638 9349 1 16 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.643 0.194 25638 9350 1 16 . 1 1 13 13 ILE C C 13 179.563 179.563 177.629 1.934 25638 9351 1 16 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.545 -0.445 25638 9352 1 16 . 1 1 13 13 ILE CB C 13 38.310 38.310 38.036 0.274 25638 9353 1 16 . 1 1 13 13 ILE H H 13 7.897 7.897 8.599 -0.702 25638 9354 1 16 . 1 1 14 14 CYS N N 14 118.125 118.125 118.177 -0.052 25638 9355 1 16 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.857 -0.306 25638 9356 1 16 . 1 1 14 14 CYS C C 14 176.010 176.010 176.628 -0.618 25638 9357 1 16 . 1 1 14 14 CYS CA C 14 64.572 64.572 60.949 3.623 25638 9358 1 16 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.475 1.246 25638 9359 1 16 . 1 1 14 14 CYS H H 14 8.329 8.329 8.334 -0.005 25638 9360 1 16 . 1 1 15 15 LYS N N 15 118.532 118.532 119.615 -1.083 25638 9361 1 16 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.915 -0.766 25638 9362 1 16 . 1 1 15 15 LYS C C 15 179.846 179.846 178.427 1.419 25638 9363 1 16 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.330 0.403 25638 9364 1 16 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.859 0.233 25638 9365 1 16 . 1 1 15 15 LYS H H 15 8.025 8.025 7.596 0.429 25638 9366 1 16 . 1 1 16 16 GLU N N 16 118.138 118.138 117.485 0.653 25638 9367 1 16 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.140 -0.113 25638 9368 1 16 . 1 1 16 16 GLU C C 16 180.959 180.959 178.248 2.711 25638 9369 1 16 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.175 0.967 25638 9370 1 16 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.745 -0.632 25638 9371 1 16 . 1 1 16 16 GLU H H 16 7.403 7.403 7.565 -0.162 25638 9372 1 16 . 1 1 17 17 ARG N N 17 117.969 117.969 117.515 0.454 25638 9373 1 16 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.154 -0.091 25638 9374 1 16 . 1 1 17 17 ARG C C 17 179.544 179.544 177.791 1.753 25638 9375 1 16 . 1 1 17 17 ARG CA C 17 58.155 58.155 56.942 1.213 25638 9376 1 16 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.544 -0.577 25638 9377 1 16 . 1 1 17 17 ARG H H 17 8.325 8.325 8.025 0.300 25638 9378 1 16 . 1 1 18 18 MET N N 18 113.332 113.332 120.039 -6.707 25638 9379 1 16 . 1 1 18 18 MET HA H 18 4.561 4.561 4.274 0.287 25638 9380 1 16 . 1 1 18 18 MET C C 18 176.890 176.890 175.077 1.813 25638 9381 1 16 . 1 1 18 18 MET CA C 18 53.377 53.377 54.907 -1.530 25638 9382 1 16 . 1 1 18 18 MET CB C 18 29.724 29.724 30.706 -0.982 25638 9383 1 16 . 1 1 18 18 MET H H 18 7.718 7.718 8.264 -0.546 25638 9384 1 16 . 1 1 19 19 ARG N N 19 123.288 123.288 122.632 0.656 25638 9385 1 16 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.631 -0.480 25638 9386 1 16 . 1 1 19 19 ARG C C 19 176.556 176.556 176.147 0.409 25638 9387 1 16 . 1 1 19 19 ARG CA C 19 61.133 61.133 58.872 2.261 25638 9388 1 16 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.734 -0.476 25638 9389 1 16 . 1 1 19 19 ARG H H 19 7.152 7.152 7.913 -0.761 25638 9390 1 16 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.324 0.019 25638 9391 1 16 . 1 1 20 20 PRO CA C 20 65.997 65.997 64.980 1.017 25638 9392 1 16 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.339 0.501 25638 9393 1 16 . 1 1 21 21 VAL N N 21 105.802 105.802 112.667 -6.865 25638 9394 1 16 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.279 0.542 25638 9395 1 16 . 1 1 21 21 VAL C C 21 176.261 176.261 176.612 -0.351 25638 9396 1 16 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.957 -1.854 25638 9397 1 16 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.653 0.203 25638 9398 1 16 . 1 1 21 21 VAL H H 21 7.352 7.352 7.705 -0.353 25638 9399 1 16 . 1 1 22 22 LYS N N 22 122.802 122.802 122.615 0.187 25638 9400 1 16 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.863 -0.099 25638 9401 1 16 . 1 1 22 22 LYS C C 22 178.758 178.758 178.244 0.514 25638 9402 1 16 . 1 1 22 22 LYS CA C 22 60.332 60.332 59.765 0.567 25638 9403 1 16 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.008 0.206 25638 9404 1 16 . 1 1 22 22 LYS H H 22 7.640 7.640 7.408 0.232 25638 9405 1 16 . 1 1 23 23 ALA N N 23 120.067 120.067 120.734 -0.667 25638 9406 1 16 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.095 -0.020 25638 9407 1 16 . 1 1 23 23 ALA C C 23 180.998 180.998 179.336 1.662 25638 9408 1 16 . 1 1 23 23 ALA CA C 23 55.159 55.159 54.900 0.259 25638 9409 1 16 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.870 0.044 25638 9410 1 16 . 1 1 23 23 ALA H H 23 8.571 8.571 8.412 0.159 25638 9411 1 16 . 1 1 24 24 ALA N N 24 121.068 121.068 121.069 -0.001 25638 9412 1 16 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.048 0.114 25638 9413 1 16 . 1 1 24 24 ALA C C 24 180.271 180.271 179.044 1.227 25638 9414 1 16 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.636 0.120 25638 9415 1 16 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.472 -0.279 25638 9416 1 16 . 1 1 24 24 ALA H H 24 7.320 7.320 8.056 -0.736 25638 9417 1 16 . 1 1 25 25 LEU N N 25 117.214 117.214 117.964 -0.750 25638 9418 1 16 . 1 1 25 25 LEU HA H 25 3.711 3.711 4.111 -0.400 25638 9419 1 16 . 1 1 25 25 LEU C C 25 179.524 179.524 178.961 0.563 25638 9420 1 16 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.786 0.165 25638 9421 1 16 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.533 -0.903 25638 9422 1 16 . 1 1 25 25 LEU H H 25 7.698 7.698 8.112 -0.414 25638 9423 1 16 . 1 1 26 26 LYS N N 26 116.336 116.336 120.215 -3.879 25638 9424 1 16 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.014 0.149 25638 9425 1 16 . 1 1 26 26 LYS C C 26 179.308 179.308 178.769 0.539 25638 9426 1 16 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.594 -1.180 25638 9427 1 16 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.148 0.018 25638 9428 1 16 . 1 1 26 26 LYS H H 26 7.675 7.675 8.040 -0.365 25638 9429 1 16 . 1 1 27 27 GLN N N 27 116.118 116.118 116.183 -0.065 25638 9430 1 16 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.266 0.009 25638 9431 1 16 . 1 1 27 27 GLN C C 27 178.679 178.679 177.374 1.305 25638 9432 1 16 . 1 1 27 27 GLN CA C 27 56.807 56.807 57.894 -1.087 25638 9433 1 16 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.556 1.464 25638 9434 1 16 . 1 1 27 27 GLN H H 27 7.520 7.520 7.911 -0.391 25638 9435 1 16 . 1 1 28 28 LEU N N 28 121.335 121.335 117.564 3.771 25638 9436 1 16 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.293 -0.140 25638 9437 1 16 . 1 1 28 28 LEU C C 28 178.168 178.168 177.715 0.453 25638 9438 1 16 . 1 1 28 28 LEU CA C 28 58.042 58.042 56.522 1.520 25638 9439 1 16 . 1 1 28 28 LEU CB C 28 41.911 41.911 42.380 -0.469 25638 9440 1 16 . 1 1 28 28 LEU H H 28 7.506 7.506 7.864 -0.358 25638 9441 1 16 . 1 1 29 29 ASP N N 29 117.486 117.486 119.391 -1.905 25638 9442 1 16 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.605 0.309 25638 9443 1 16 . 1 1 29 29 ASP C C 29 176.772 176.772 176.271 0.501 25638 9444 1 16 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.249 -2.123 25638 9445 1 16 . 1 1 29 29 ASP CB C 29 42.715 42.715 42.744 -0.029 25638 9446 1 16 . 1 1 29 29 ASP H H 29 8.120 8.120 7.938 0.182 25638 9447 1 16 . 1 1 30 30 ARG N N 30 119.107 119.107 119.715 -0.608 25638 9448 1 16 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.764 -0.003 25638 9449 1 16 . 1 1 30 30 ARG C C 30 173.824 173.824 174.449 -0.625 25638 9450 1 16 . 1 1 30 30 ARG CA C 30 53.231 53.231 52.727 0.504 25638 9451 1 16 . 1 1 30 30 ARG CB C 30 31.311 31.311 30.693 0.618 25638 9452 1 16 . 1 1 30 30 ARG H H 30 7.701 7.701 8.234 -0.533 25638 9453 1 16 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.420 -0.154 25638 9454 1 16 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.351 0.594 25638 9455 1 16 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.426 -0.412 25638 9456 1 16 . 1 1 32 32 GLU N N 32 122.391 122.391 121.749 0.642 25638 9457 1 16 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.082 0.106 25638 9458 1 16 . 1 1 32 32 GLU C C 32 177.401 177.401 176.233 1.168 25638 9459 1 16 . 1 1 32 32 GLU CA C 32 56.389 56.389 57.475 -1.086 25638 9460 1 16 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.327 -0.139 25638 9461 1 16 . 1 1 32 32 GLU H H 32 8.454 8.454 8.070 0.384 25638 9462 1 16 . 1 1 33 33 LYS N N 33 123.127 123.127 126.573 -3.446 25638 9463 1 16 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.510 -0.334 25638 9464 1 16 . 1 1 33 33 LYS C C 33 178.482 178.482 175.826 2.656 25638 9465 1 16 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.428 0.699 25638 9466 1 16 . 1 1 33 33 LYS CB C 33 32.640 32.640 31.933 0.707 25638 9467 1 16 . 1 1 33 33 LYS H H 33 8.338 8.338 8.544 -0.206 25638 9468 1 16 . 1 1 34 34 GLY N N 34 109.507 109.507 107.336 2.171 25638 9469 1 16 . 1 1 34 34 GLY C C 34 175.475 175.475 173.699 1.776 25638 9470 1 16 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.523 -0.205 25638 9471 1 16 . 1 1 34 34 GLY H H 34 8.643 8.643 8.486 0.157 25638 9472 1 16 . 1 1 35 35 LEU N N 35 120.392 120.392 120.335 0.057 25638 9473 1 16 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.848 -0.333 25638 9474 1 16 . 1 1 35 35 LEU C C 35 178.797 178.797 176.931 1.866 25638 9475 1 16 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.425 1.024 25638 9476 1 16 . 1 1 35 35 LEU CB C 35 43.116 43.116 43.733 -0.617 25638 9477 1 16 . 1 1 35 35 LEU H H 35 7.480 7.480 7.583 -0.103 25638 9478 1 16 . 1 1 36 36 SER N N 36 118.629 118.629 115.232 3.397 25638 9479 1 16 . 1 1 36 36 SER HA H 36 4.471 4.471 4.504 -0.033 25638 9480 1 16 . 1 1 36 36 SER C C 36 175.632 175.632 175.584 0.048 25638 9481 1 16 . 1 1 36 36 SER CA C 36 57.814 57.814 57.976 -0.162 25638 9482 1 16 . 1 1 36 36 SER CB C 36 64.678 64.678 64.284 0.394 25638 9483 1 16 . 1 1 36 36 SER H H 36 8.838 8.838 8.227 0.611 25638 9484 1 16 . 1 1 37 37 GLU N N 37 122.722 122.722 120.932 1.790 25638 9485 1 16 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.087 -0.073 25638 9486 1 16 . 1 1 37 37 GLU C C 37 179.976 179.976 178.495 1.481 25638 9487 1 16 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.481 1.097 25638 9488 1 16 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.666 -0.317 25638 9489 1 16 . 1 1 37 37 GLU H H 37 9.018 9.018 8.926 0.092 25638 9490 1 16 . 1 1 38 38 ARG N N 38 118.418 118.418 118.721 -0.303 25638 9491 1 16 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.181 -0.068 25638 9492 1 16 . 1 1 38 38 ARG C C 38 180.212 180.212 178.517 1.695 25638 9493 1 16 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.953 0.495 25638 9494 1 16 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.325 -0.517 25638 9495 1 16 . 1 1 38 38 ARG H H 38 8.509 8.509 8.253 0.256 25638 9496 1 16 . 1 1 39 39 GLU N N 39 119.730 119.730 118.090 1.640 25638 9497 1 16 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.097 -0.007 25638 9498 1 16 . 1 1 39 39 GLU C C 39 180.529 180.529 178.927 1.602 25638 9499 1 16 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.113 -0.220 25638 9500 1 16 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.817 1.740 25638 9501 1 16 . 1 1 39 39 GLU H H 39 7.761 7.761 8.687 -0.926 25638 9502 1 16 . 1 1 40 40 GLN N N 40 121.665 121.665 119.009 2.656 25638 9503 1 16 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.077 -0.033 25638 9504 1 16 . 1 1 40 40 GLN C C 40 179.760 179.760 178.215 1.545 25638 9505 1 16 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.950 0.420 25638 9506 1 16 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.174 0.314 25638 9507 1 16 . 1 1 40 40 GLN H H 40 8.871 8.871 7.683 1.188 25638 9508 1 16 . 1 1 41 41 LEU N N 41 121.002 121.002 118.742 2.260 25638 9509 1 16 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.041 0.186 25638 9510 1 16 . 1 1 41 41 LEU C C 41 180.841 180.841 179.165 1.676 25638 9511 1 16 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.837 -0.547 25638 9512 1 16 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.592 0.009 25638 9513 1 16 . 1 1 41 41 LEU H H 41 8.140 8.140 8.142 -0.002 25638 9514 1 16 . 1 1 42 42 GLU N N 42 119.818 119.818 118.845 0.973 25638 9515 1 16 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.978 0.256 25638 9516 1 16 . 1 1 42 42 GLU C C 42 179.603 179.603 178.782 0.821 25638 9517 1 16 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.774 -0.864 25638 9518 1 16 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.282 -0.315 25638 9519 1 16 . 1 1 42 42 GLU H H 42 7.894 7.894 7.967 -0.073 25638 9520 1 16 . 1 1 43 43 HIS N N 43 119.964 119.964 118.610 1.354 25638 9521 1 16 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.351 0.070 25638 9522 1 16 . 1 1 43 43 HIS C C 43 179.140 179.140 177.481 1.659 25638 9523 1 16 . 1 1 43 43 HIS CA C 43 59.813 59.813 59.145 0.668 25638 9524 1 16 . 1 1 43 43 HIS CB C 43 29.444 29.444 29.780 -0.336 25638 9525 1 16 . 1 1 43 43 HIS H H 43 8.437 8.437 8.221 0.216 25638 9526 1 16 . 1 1 44 44 THR N N 44 117.768 117.768 115.861 1.907 25638 9527 1 16 . 1 1 44 44 THR HA H 44 3.884 3.884 4.228 -0.344 25638 9528 1 16 . 1 1 44 44 THR C C 44 179.008 179.008 176.557 2.451 25638 9529 1 16 . 1 1 44 44 THR CA C 44 67.603 67.603 66.830 0.773 25638 9530 1 16 . 1 1 44 44 THR CB C 44 68.981 68.981 68.685 0.296 25638 9531 1 16 . 1 1 44 44 THR H H 44 8.589 8.589 8.277 0.312 25638 9532 1 16 . 1 1 45 45 ARG N N 45 121.750 121.750 121.915 -0.165 25638 9533 1 16 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.124 -0.245 25638 9534 1 16 . 1 1 45 45 ARG C C 45 178.817 178.817 178.657 0.160 25638 9535 1 16 . 1 1 45 45 ARG CA C 45 60.859 60.859 58.813 2.046 25638 9536 1 16 . 1 1 45 45 ARG CB C 45 30.716 30.716 28.395 2.321 25638 9537 1 16 . 1 1 45 45 ARG H H 45 8.255 8.255 8.017 0.238 25638 9538 1 16 . 1 1 46 46 GLN N N 46 116.576 116.576 119.541 -2.965 25638 9539 1 16 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.116 -0.092 25638 9540 1 16 . 1 1 46 46 GLN C C 46 181.018 181.018 178.721 2.297 25638 9541 1 16 . 1 1 46 46 GLN CA C 46 59.575 59.575 59.028 0.547 25638 9542 1 16 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.177 -0.422 25638 9543 1 16 . 1 1 46 46 GLN H H 46 8.328 8.328 8.271 0.057 25638 9544 1 16 . 1 1 47 47 CYS N N 47 118.569 118.569 119.144 -0.575 25638 9545 1 16 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.140 -0.057 25638 9546 1 16 . 1 1 47 47 CYS C C 47 177.244 177.244 176.842 0.402 25638 9547 1 16 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.089 0.015 25638 9548 1 16 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.317 -0.254 25638 9549 1 16 . 1 1 47 47 CYS H H 47 8.029 8.029 8.185 -0.156 25638 9550 1 16 . 1 1 48 48 LEU N N 48 119.873 119.873 121.996 -2.123 25638 9551 1 16 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.029 0.040 25638 9552 1 16 . 1 1 48 48 LEU C C 48 179.839 179.839 178.729 1.110 25638 9553 1 16 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.430 -0.117 25638 9554 1 16 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.991 0.234 25638 9555 1 16 . 1 1 48 48 LEU H H 48 8.539 8.539 8.501 0.038 25638 9556 1 16 . 1 1 49 49 ILE N N 49 119.523 119.523 115.341 4.182 25638 9557 1 16 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.110 -0.140 25638 9558 1 16 . 1 1 49 49 ILE C C 49 178.188 178.188 177.684 0.504 25638 9559 1 16 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.311 0.900 25638 9560 1 16 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.435 0.559 25638 9561 1 16 . 1 1 49 49 ILE H H 49 8.516 8.516 8.744 -0.228 25638 9562 1 16 . 1 1 50 50 LYS N N 50 118.622 118.622 120.474 -1.852 25638 9563 1 16 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.066 0.127 25638 9564 1 16 . 1 1 50 50 LYS C C 50 181.391 181.391 179.130 2.261 25638 9565 1 16 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.639 -0.092 25638 9566 1 16 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.041 0.549 25638 9567 1 16 . 1 1 50 50 LYS H H 50 7.522 7.522 7.538 -0.016 25638 9568 1 16 . 1 1 51 51 ILE N N 51 119.288 119.288 119.945 -0.657 25638 9569 1 16 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.572 -0.123 25638 9570 1 16 . 1 1 51 51 ILE C C 51 178.384 178.384 177.778 0.606 25638 9571 1 16 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.897 -0.130 25638 9572 1 16 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.787 1.193 25638 9573 1 16 . 1 1 51 51 ILE H H 51 8.107 8.107 8.289 -0.182 25638 9574 1 16 . 1 1 52 52 GLY N N 52 108.211 108.211 106.959 1.252 25638 9575 1 16 . 1 1 52 52 GLY C C 52 178.168 178.168 175.171 2.997 25638 9576 1 16 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.460 0.604 25638 9577 1 16 . 1 1 52 52 GLY H H 52 9.224 9.224 8.070 1.154 25638 9578 1 16 . 1 1 53 53 ASP N N 53 124.013 124.013 122.800 1.213 25638 9579 1 16 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.350 0.184 25638 9580 1 16 . 1 1 53 53 ASP C C 53 179.976 179.976 178.000 1.976 25638 9581 1 16 . 1 1 53 53 ASP CA C 53 57.628 57.628 58.204 -0.576 25638 9582 1 16 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.784 -1.502 25638 9583 1 16 . 1 1 53 53 ASP H H 53 9.091 9.091 8.288 0.803 25638 9584 1 16 . 1 1 54 54 HIS N N 54 121.598 121.598 120.046 1.552 25638 9585 1 16 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.254 0.152 25638 9586 1 16 . 1 1 54 54 HIS C C 54 178.982 178.982 177.740 1.242 25638 9587 1 16 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.729 0.731 25638 9588 1 16 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.989 1.578 25638 9589 1 16 . 1 1 54 54 HIS H H 54 7.664 7.664 7.995 -0.331 25638 9590 1 16 . 1 1 55 55 ILE N N 55 121.892 121.892 119.951 1.941 25638 9591 1 16 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.483 -0.299 25638 9592 1 16 . 1 1 55 55 ILE C C 55 178.188 178.188 177.983 0.205 25638 9593 1 16 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.860 1.817 25638 9594 1 16 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.365 -0.121 25638 9595 1 16 . 1 1 55 55 ILE H H 55 8.255 8.255 8.631 -0.376 25638 9596 1 16 . 1 1 56 56 THR N N 56 115.458 115.458 115.672 -0.214 25638 9597 1 16 . 1 1 56 56 THR HA H 56 3.759 3.759 3.907 -0.148 25638 9598 1 16 . 1 1 56 56 THR C C 56 180.195 180.195 177.092 3.103 25638 9599 1 16 . 1 1 56 56 THR CA C 56 67.551 67.551 67.012 0.539 25638 9600 1 16 . 1 1 56 56 THR CB C 56 68.756 68.756 68.490 0.266 25638 9601 1 16 . 1 1 56 56 THR H H 56 8.047 8.047 7.703 0.344 25638 9602 1 16 . 1 1 57 57 GLU N N 57 121.544 121.544 121.400 0.144 25638 9603 1 16 . 1 1 57 57 GLU HA H 57 3.954 3.954 3.976 -0.022 25638 9604 1 16 . 1 1 57 57 GLU C C 57 180.979 180.979 178.930 2.049 25638 9605 1 16 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.190 0.189 25638 9606 1 16 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.344 -0.604 25638 9607 1 16 . 1 1 57 57 GLU H H 57 7.591 7.591 8.534 -0.943 25638 9608 1 16 . 1 1 58 58 CYS N N 58 118.970 118.970 117.583 1.387 25638 9609 1 16 . 1 1 58 58 CYS HA H 58 3.940 3.940 3.877 0.063 25638 9610 1 16 . 1 1 58 58 CYS C C 58 178.089 178.089 177.243 0.846 25638 9611 1 16 . 1 1 58 58 CYS CA C 58 63.222 63.222 63.860 -0.638 25638 9612 1 16 . 1 1 58 58 CYS CB C 58 26.562 26.562 26.871 -0.309 25638 9613 1 16 . 1 1 58 58 CYS H H 58 8.206 8.206 8.090 0.116 25638 9614 1 16 . 1 1 59 59 LEU N N 59 116.873 116.873 119.796 -2.923 25638 9615 1 16 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.228 0.023 25638 9616 1 16 . 1 1 59 59 LEU C C 59 179.033 179.033 178.381 0.652 25638 9617 1 16 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.032 -0.993 25638 9618 1 16 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.819 -0.782 25638 9619 1 16 . 1 1 59 59 LEU H H 59 7.726 7.726 7.974 -0.248 25638 9620 1 16 . 1 1 60 60 LYS N N 60 117.911 117.911 117.717 0.194 25638 9621 1 16 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.067 0.064 25638 9622 1 16 . 1 1 60 60 LYS C C 60 177.912 177.912 177.172 0.740 25638 9623 1 16 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.439 0.098 25638 9624 1 16 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.844 0.546 25638 9625 1 16 . 1 1 60 60 LYS H H 60 7.298 7.298 7.815 -0.517 25638 9626 1 16 . 1 1 61 61 GLU N N 61 115.507 115.507 117.763 -2.256 25638 9627 1 16 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.934 -0.045 25638 9628 1 16 . 1 1 61 61 GLU C C 61 176.576 176.576 176.879 -0.303 25638 9629 1 16 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.842 -0.791 25638 9630 1 16 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.695 0.039 25638 9631 1 16 . 1 1 61 61 GLU H H 61 7.084 7.084 7.339 -0.255 25638 9632 1 16 . 1 1 62 62 TYR N N 62 118.581 118.581 117.301 1.280 25638 9633 1 16 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.578 0.128 25638 9634 1 16 . 1 1 62 62 TYR C C 62 175.935 175.935 175.944 -0.009 25638 9635 1 16 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.819 -0.672 25638 9636 1 16 . 1 1 62 62 TYR CB C 62 40.385 40.385 39.003 1.382 25638 9637 1 16 . 1 1 62 62 TYR H H 62 7.387 7.387 7.318 0.069 25638 9638 1 16 . 1 1 63 63 THR N N 63 109.064 109.064 113.599 -4.535 25638 9639 1 16 . 1 1 63 63 THR HA H 63 4.507 4.507 4.347 0.160 25638 9640 1 16 . 1 1 63 63 THR C C 63 175.888 175.888 174.975 0.913 25638 9641 1 16 . 1 1 63 63 THR CA C 63 61.684 61.684 61.865 -0.181 25638 9642 1 16 . 1 1 63 63 THR CB C 63 70.092 70.092 69.287 0.805 25638 9643 1 16 . 1 1 63 63 THR H H 63 8.471 8.471 8.372 0.099 25638 9644 1 16 . 1 1 64 64 ASN N N 64 123.204 123.204 120.933 2.271 25638 9645 1 16 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.884 0.287 25638 9646 1 16 . 1 1 64 64 ASN C C 64 175.495 175.495 175.243 0.252 25638 9647 1 16 . 1 1 64 64 ASN CA C 64 51.137 51.137 51.832 -0.695 25638 9648 1 16 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.130 1.550 25638 9649 1 16 . 1 1 64 64 ASN H H 64 7.993 7.993 8.171 -0.178 25638 9650 1 16 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.260 0.010 25638 9651 1 16 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.515 0.177 25638 9652 1 16 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.048 0.351 25638 9653 1 16 . 1 1 66 66 GLU N N 66 118.060 118.060 117.852 0.208 25638 9654 1 16 . 1 1 66 66 GLU HA H 66 4.132 4.132 3.985 0.147 25638 9655 1 16 . 1 1 66 66 GLU C C 66 180.409 180.409 178.883 1.526 25638 9656 1 16 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.748 -0.374 25638 9657 1 16 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.310 0.493 25638 9658 1 16 . 1 1 66 66 GLU H H 66 8.297 8.297 9.018 -0.721 25638 9659 1 16 . 1 1 67 67 GLN N N 67 120.531 120.531 119.204 1.327 25638 9660 1 16 . 1 1 67 67 GLN HA H 67 4.167 4.167 4.047 0.120 25638 9661 1 16 . 1 1 67 67 GLN C C 67 179.072 179.072 178.633 0.439 25638 9662 1 16 . 1 1 67 67 GLN CA C 67 58.828 58.828 58.428 0.400 25638 9663 1 16 . 1 1 67 67 GLN CB C 67 29.243 29.243 29.059 0.184 25638 9664 1 16 . 1 1 67 67 GLN H H 67 7.738 7.738 7.494 0.244 25638 9665 1 16 . 1 1 68 68 ILE N N 68 119.632 119.632 118.929 0.703 25638 9666 1 16 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.882 -0.334 25638 9667 1 16 . 1 1 68 68 ILE C C 68 178.109 178.109 178.077 0.032 25638 9668 1 16 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.230 1.367 25638 9669 1 16 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.362 1.577 25638 9670 1 16 . 1 1 68 68 ILE H H 68 7.956 7.956 8.154 -0.198 25638 9671 1 16 . 1 1 69 69 LYS N N 69 117.236 117.236 119.725 -2.489 25638 9672 1 16 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.979 -0.050 25638 9673 1 16 . 1 1 69 69 LYS C C 69 180.271 180.271 178.916 1.355 25638 9674 1 16 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.320 0.601 25638 9675 1 16 . 1 1 69 69 LYS CB C 69 32.607 32.607 31.750 0.857 25638 9676 1 16 . 1 1 69 69 LYS H H 69 7.665 7.665 8.049 -0.384 25638 9677 1 16 . 1 1 70 70 GLN N N 70 118.748 118.748 119.162 -0.414 25638 9678 1 16 . 1 1 70 70 GLN HA H 70 3.855 3.855 3.913 -0.058 25638 9679 1 16 . 1 1 70 70 GLN C C 70 179.131 179.131 178.402 0.729 25638 9680 1 16 . 1 1 70 70 GLN CA C 70 58.252 58.252 59.163 -0.911 25638 9681 1 16 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.512 0.165 25638 9682 1 16 . 1 1 70 70 GLN H H 70 7.787 7.787 7.997 -0.210 25638 9683 1 16 . 1 1 71 71 TRP N N 71 118.896 118.896 119.397 -0.501 25638 9684 1 16 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.388 -0.345 25638 9685 1 16 . 1 1 71 71 TRP C C 71 178.679 178.679 178.755 -0.076 25638 9686 1 16 . 1 1 71 71 TRP CA C 71 61.949 61.949 59.422 2.527 25638 9687 1 16 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.278 -1.034 25638 9688 1 16 . 1 1 71 71 TRP H H 71 8.374 8.374 8.664 -0.290 25638 9689 1 16 . 1 1 72 72 ARG N N 72 122.698 122.698 119.702 2.996 25638 9690 1 16 . 1 1 72 72 ARG HA H 72 3.819 3.819 4.026 -0.207 25638 9691 1 16 . 1 1 72 72 ARG C C 72 178.561 178.561 178.683 -0.122 25638 9692 1 16 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.454 1.578 25638 9693 1 16 . 1 1 72 72 ARG CB C 72 30.269 30.269 29.706 0.563 25638 9694 1 16 . 1 1 72 72 ARG H H 72 8.808 8.808 8.220 0.588 25638 9695 1 16 . 1 1 73 73 LYS N N 73 116.946 116.946 118.650 -1.704 25638 9696 1 16 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.149 0.031 25638 9697 1 16 . 1 1 73 73 LYS C C 73 179.622 179.622 178.830 0.792 25638 9698 1 16 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.423 0.112 25638 9699 1 16 . 1 1 73 73 LYS CB C 73 31.715 31.715 31.971 -0.256 25638 9700 1 16 . 1 1 73 73 LYS H H 73 7.380 7.380 7.815 -0.435 25638 9701 1 16 . 1 1 74 74 ASN N N 74 116.434 116.434 119.553 -3.119 25638 9702 1 16 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.530 -0.253 25638 9703 1 16 . 1 1 74 74 ASN C C 74 178.148 178.148 178.229 -0.081 25638 9704 1 16 . 1 1 74 74 ASN CA C 74 55.863 55.863 55.807 0.056 25638 9705 1 16 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.072 -0.038 25638 9706 1 16 . 1 1 74 74 ASN H H 74 8.309 8.309 8.127 0.182 25638 9707 1 16 . 1 1 75 75 LEU N N 75 118.967 118.967 121.462 -2.495 25638 9708 1 16 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.269 -0.144 25638 9709 1 16 . 1 1 75 75 LEU C C 75 180.251 180.251 178.635 1.616 25638 9710 1 16 . 1 1 75 75 LEU CA C 75 58.827 58.827 59.090 -0.263 25638 9711 1 16 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.636 -0.652 25638 9712 1 16 . 1 1 75 75 LEU H H 75 8.635 8.635 8.628 0.007 25638 9713 1 16 . 1 1 76 76 TRP N N 76 118.544 118.544 119.639 -1.095 25638 9714 1 16 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.277 0.302 25638 9715 1 16 . 1 1 76 76 TRP C C 76 180.900 180.900 179.144 1.756 25638 9716 1 16 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.372 1.044 25638 9717 1 16 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.531 -0.433 25638 9718 1 16 . 1 1 76 76 TRP H H 76 8.006 8.006 7.439 0.567 25638 9719 1 16 . 1 1 77 77 ILE N N 77 121.982 121.982 119.336 2.646 25638 9720 1 16 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.630 0.201 25638 9721 1 16 . 1 1 77 77 ILE C C 77 181.254 181.254 177.868 3.386 25638 9722 1 16 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.417 0.624 25638 9723 1 16 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.035 -0.685 25638 9724 1 16 . 1 1 77 77 ILE H H 77 8.893 8.893 8.703 0.190 25638 9725 1 16 . 1 1 78 78 PHE N N 78 123.458 123.458 120.574 2.884 25638 9726 1 16 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.043 0.001 25638 9727 1 16 . 1 1 78 78 PHE C C 78 177.618 177.618 177.824 -0.206 25638 9728 1 16 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.120 1.960 25638 9729 1 16 . 1 1 78 78 PHE CB C 78 38.710 38.710 38.866 -0.156 25638 9730 1 16 . 1 1 78 78 PHE H H 78 8.753 8.753 7.994 0.759 25638 9731 1 16 . 1 1 79 79 VAL N N 79 117.726 117.726 119.647 -1.921 25638 9732 1 16 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.341 0.138 25638 9733 1 16 . 1 1 79 79 VAL C C 79 178.876 178.876 178.214 0.662 25638 9734 1 16 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.105 0.708 25638 9735 1 16 . 1 1 79 79 VAL CB C 79 31.572 31.572 30.752 0.820 25638 9736 1 16 . 1 1 79 79 VAL H H 79 8.232 8.232 8.324 -0.092 25638 9737 1 16 . 1 1 80 80 SER N N 80 114.568 114.568 113.594 0.974 25638 9738 1 16 . 1 1 80 80 SER HA H 80 4.339 4.339 4.437 -0.098 25638 9739 1 16 . 1 1 80 80 SER C C 80 176.261 176.261 176.201 0.060 25638 9740 1 16 . 1 1 80 80 SER CA C 80 61.337 61.337 60.668 0.669 25638 9741 1 16 . 1 1 80 80 SER CB C 80 62.712 62.712 62.999 -0.287 25638 9742 1 16 . 1 1 80 80 SER H H 80 8.353 8.353 8.123 0.230 25638 9743 1 16 . 1 1 81 81 LYS N N 81 121.180 121.180 121.235 -0.055 25638 9744 1 16 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.152 0.046 25638 9745 1 16 . 1 1 81 81 LYS C C 81 178.305 178.305 178.313 -0.008 25638 9746 1 16 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.703 -1.599 25638 9747 1 16 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.762 -2.103 25638 9748 1 16 . 1 1 81 81 LYS H H 81 7.481 7.481 7.413 0.068 25638 9749 1 16 . 1 1 82 82 PHE N N 82 117.950 117.950 119.883 -1.933 25638 9750 1 16 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.602 -0.205 25638 9751 1 16 . 1 1 82 82 PHE C C 82 174.787 174.787 174.489 0.298 25638 9752 1 16 . 1 1 82 82 PHE CA C 82 58.398 58.398 57.721 0.677 25638 9753 1 16 . 1 1 82 82 PHE CB C 82 38.937 38.937 37.389 1.548 25638 9754 1 16 . 1 1 82 82 PHE H H 82 8.256 8.256 8.087 0.169 25638 9755 1 16 . 1 1 83 83 THR N N 83 109.995 109.995 111.439 -1.444 25638 9756 1 16 . 1 1 83 83 THR HA H 83 4.988 4.988 4.701 0.287 25638 9757 1 16 . 1 1 83 83 THR C C 83 174.138 174.138 173.751 0.387 25638 9758 1 16 . 1 1 83 83 THR CA C 83 59.609 59.609 59.959 -0.350 25638 9759 1 16 . 1 1 83 83 THR CB C 83 71.080 71.080 70.413 0.667 25638 9760 1 16 . 1 1 83 83 THR H H 83 7.665 7.665 7.345 0.320 25638 9761 1 16 . 1 1 84 84 GLU N N 84 119.416 119.416 120.381 -0.965 25638 9762 1 16 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.394 0.001 25638 9763 1 16 . 1 1 84 84 GLU C C 84 177.912 177.912 176.160 1.752 25638 9764 1 16 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.152 -0.656 25638 9765 1 16 . 1 1 84 84 GLU CB C 84 29.522 29.522 30.179 -0.657 25638 9766 1 16 . 1 1 84 84 GLU H H 84 8.409 8.409 8.848 -0.439 25638 9767 1 16 . 1 1 85 85 PHE N N 85 120.265 120.265 120.312 -0.047 25638 9768 1 16 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.562 0.329 25638 9769 1 16 . 1 1 85 85 PHE C C 85 175.809 175.809 175.244 0.565 25638 9770 1 16 . 1 1 85 85 PHE CA C 85 56.109 56.109 57.669 -1.560 25638 9771 1 16 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.971 1.217 25638 9772 1 16 . 1 1 85 85 PHE H H 85 8.210 8.210 7.904 0.306 25638 9773 1 16 . 1 1 86 86 ASP N N 86 118.128 118.128 124.619 -6.491 25638 9774 1 16 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.791 -0.055 25638 9775 1 16 . 1 1 86 86 ASP C C 86 176.986 176.986 177.257 -0.271 25638 9776 1 16 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.495 -2.312 25638 9777 1 16 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.394 0.139 25638 9778 1 16 . 1 1 86 86 ASP H H 86 8.119 8.119 8.904 -0.785 25638 9779 1 16 . 1 1 87 87 ALA N N 87 121.912 121.912 124.734 -2.822 25638 9780 1 16 . 1 1 87 87 ALA HA H 87 3.989 3.989 3.973 0.016 25638 9781 1 16 . 1 1 87 87 ALA C C 87 180.378 180.378 178.867 1.511 25638 9782 1 16 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.560 0.515 25638 9783 1 16 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.929 1.278 25638 9784 1 16 . 1 1 87 87 ALA H H 87 8.757 8.757 8.525 0.232 25638 9785 1 16 . 1 1 88 88 ARG N N 88 117.072 117.072 118.582 -1.510 25638 9786 1 16 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.157 -0.201 25638 9787 1 16 . 1 1 88 88 ARG C C 88 179.975 179.975 178.060 1.915 25638 9788 1 16 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.031 0.221 25638 9789 1 16 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.070 0.543 25638 9790 1 16 . 1 1 88 88 ARG H H 88 8.147 8.147 8.561 -0.414 25638 9791 1 16 . 1 1 89 89 LYS N N 89 121.809 121.809 120.397 1.412 25638 9792 1 16 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.087 -0.178 25638 9793 1 16 . 1 1 89 89 LYS C C 89 179.505 179.505 179.269 0.236 25638 9794 1 16 . 1 1 89 89 LYS CA C 89 58.986 58.986 59.252 -0.266 25638 9795 1 16 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.237 0.097 25638 9796 1 16 . 1 1 89 89 LYS H H 89 8.022 8.022 7.661 0.361 25638 9797 1 16 . 1 1 90 90 LEU N N 90 118.429 118.429 120.515 -2.086 25638 9798 1 16 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.777 -0.033 25638 9799 1 16 . 1 1 90 90 LEU C C 90 178.069 178.069 177.807 0.262 25638 9800 1 16 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.397 -0.354 25638 9801 1 16 . 1 1 90 90 LEU CB C 90 42.462 42.462 42.049 0.413 25638 9802 1 16 . 1 1 90 90 LEU H H 90 8.139 8.139 8.666 -0.527 25638 9803 1 16 . 1 1 91 91 HIS N N 91 117.214 117.214 116.338 0.876 25638 9804 1 16 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.466 0.513 25638 9805 1 16 . 1 1 91 91 HIS C C 91 178.069 178.069 176.879 1.190 25638 9806 1 16 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.339 -0.161 25638 9807 1 16 . 1 1 91 91 HIS CB C 91 29.428 29.428 28.732 0.696 25638 9808 1 16 . 1 1 91 91 HIS H H 91 7.379 7.379 8.080 -0.701 25638 9809 1 16 . 1 1 92 92 LYS N N 92 118.466 118.466 120.415 -1.949 25638 9810 1 16 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.566 0.069 25638 9811 1 16 . 1 1 92 92 LYS C C 92 180.310 180.310 178.685 1.625 25638 9812 1 16 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.330 0.595 25638 9813 1 16 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.225 0.140 25638 9814 1 16 . 1 1 92 92 LYS H H 92 7.599 7.599 7.461 0.138 25638 9815 1 16 . 1 1 93 93 LEU N N 93 120.752 120.752 119.700 1.052 25638 9816 1 16 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.787 0.196 25638 9817 1 16 . 1 1 93 93 LEU C C 93 181.269 181.269 178.959 2.310 25638 9818 1 16 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.130 -0.130 25638 9819 1 16 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.743 0.596 25638 9820 1 16 . 1 1 93 93 LEU H H 93 8.351 8.351 8.198 0.153 25638 9821 1 16 . 1 1 94 94 TYR N N 94 122.311 122.311 119.626 2.685 25638 9822 1 16 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.018 0.118 25638 9823 1 16 . 1 1 94 94 TYR C C 94 176.789 176.789 177.308 -0.519 25638 9824 1 16 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.583 -0.283 25638 9825 1 16 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.467 0.111 25638 9826 1 16 . 1 1 94 94 TYR H H 94 8.290 8.290 8.464 -0.174 25638 9827 1 16 . 1 1 95 95 LYS N N 95 117.851 117.851 117.900 -0.049 25638 9828 1 16 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.572 -0.146 25638 9829 1 16 . 1 1 95 95 LYS C C 95 180.684 180.684 178.929 1.755 25638 9830 1 16 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.484 -0.105 25638 9831 1 16 . 1 1 95 95 LYS CB C 95 31.248 31.248 31.784 -0.536 25638 9832 1 16 . 1 1 95 95 LYS H H 95 8.180 8.180 8.235 -0.055 25638 9833 1 16 . 1 1 96 96 HIS N N 96 117.611 117.611 119.636 -2.025 25638 9834 1 16 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.335 -0.122 25638 9835 1 16 . 1 1 96 96 HIS C C 96 178.266 178.266 177.199 1.067 25638 9836 1 16 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.100 0.174 25638 9837 1 16 . 1 1 96 96 HIS CB C 96 30.203 30.203 30.004 0.199 25638 9838 1 16 . 1 1 96 96 HIS H H 96 8.049 8.049 8.056 -0.007 25638 9839 1 16 . 1 1 97 97 ALA N N 97 122.617 122.617 123.113 -0.496 25638 9840 1 16 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.087 0.004 25638 9841 1 16 . 1 1 97 97 ALA C C 97 181.352 181.352 179.492 1.860 25638 9842 1 16 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.035 -0.390 25638 9843 1 16 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.234 -0.465 25638 9844 1 16 . 1 1 97 97 ALA H H 97 8.104 8.104 7.974 0.130 25638 9845 1 16 . 1 1 98 98 ILE N N 98 111.626 111.626 119.279 -7.653 25638 9846 1 16 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.534 0.575 25638 9847 1 16 . 1 1 98 98 ILE C C 98 178.561 178.561 178.129 0.432 25638 9848 1 16 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.404 -1.674 25638 9849 1 16 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.785 -0.139 25638 9850 1 16 . 1 1 98 98 ILE H H 98 7.636 7.636 7.787 -0.151 25638 9851 1 16 . 1 1 99 99 LYS N N 99 124.158 124.158 120.102 4.056 25638 9852 1 16 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.898 0.147 25638 9853 1 16 . 1 1 99 99 LYS C C 99 179.111 179.111 178.737 0.374 25638 9854 1 16 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.493 -0.423 25638 9855 1 16 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.062 0.110 25638 9856 1 16 . 1 1 99 99 LYS H H 99 7.359 7.359 8.055 -0.696 25638 9857 1 16 . 1 1 100 100 LYS N N 100 118.333 118.333 119.477 -1.144 25638 9858 1 16 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.055 0.088 25638 9859 1 16 . 1 1 100 100 LYS C C 100 179.111 179.111 178.480 0.631 25638 9860 1 16 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.774 -1.562 25638 9861 1 16 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.041 -0.299 25638 9862 1 16 . 1 1 100 100 LYS H H 100 7.937 7.937 7.767 0.170 25638 9863 1 16 . 1 1 101 101 ARG N N 101 121.125 121.125 117.168 3.957 25638 9864 1 16 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.261 -0.132 25638 9865 1 16 . 1 1 101 101 ARG C C 101 178.541 178.541 175.839 2.702 25638 9866 1 16 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.445 1.721 25638 9867 1 16 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.705 -0.114 25638 9868 1 16 . 1 1 101 101 ARG H H 101 7.895 7.895 7.469 0.426 25638 9869 1 16 . 1 1 102 102 GLN N N 102 119.756 119.756 119.450 0.306 25638 9870 1 16 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.439 -0.232 25638 9871 1 16 . 1 1 102 102 GLN C C 102 178.129 178.129 175.040 3.089 25638 9872 1 16 . 1 1 102 102 GLN CA C 102 56.912 56.912 55.227 1.685 25638 9873 1 16 . 1 1 102 102 GLN CB C 102 28.921 28.921 29.009 -0.088 25638 9874 1 16 . 1 1 102 102 GLN H H 102 8.167 8.167 7.798 0.369 25638 9875 1 16 . 1 1 103 103 GLU N N 103 120.553 120.553 123.380 -2.827 25638 9876 1 16 . 1 1 103 103 GLU HA H 103 4.200 4.200 3.997 0.203 25638 9877 1 16 . 1 1 103 103 GLU C C 103 178.286 178.286 175.221 3.065 25638 9878 1 16 . 1 1 103 103 GLU CA C 103 57.505 57.505 57.597 -0.092 25638 9879 1 16 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.247 0.677 25638 9880 1 16 . 1 1 103 103 GLU H H 103 8.189 8.189 8.783 -0.594 25638 9881 1 16 . 1 1 104 104 SER N N 104 115.381 115.381 115.742 -0.361 25638 9882 1 16 . 1 1 104 104 SER HA H 104 4.431 4.431 4.589 -0.158 25638 9883 1 16 . 1 1 104 104 SER C C 104 175.750 175.750 173.717 2.033 25638 9884 1 16 . 1 1 104 104 SER CA C 104 59.154 59.154 58.313 0.841 25638 9885 1 16 . 1 1 104 104 SER CB C 104 63.456 63.456 63.066 0.390 25638 9886 1 16 . 1 1 104 104 SER H H 104 8.099 8.099 8.428 -0.329 25638 9887 1 16 . 1 1 105 105 GLN N N 105 121.635 121.635 120.044 1.591 25638 9888 1 16 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.571 -0.236 25638 9889 1 16 . 1 1 105 105 GLN C C 105 177.008 177.008 174.119 2.889 25638 9890 1 16 . 1 1 105 105 GLN CA C 105 56.053 56.053 55.924 0.129 25638 9891 1 16 . 1 1 105 105 GLN CB C 105 29.128 29.128 30.372 -1.244 25638 9892 1 16 . 1 1 105 105 GLN H H 105 8.170 8.170 7.981 0.189 25638 9893 1 16 . 1 1 106 106 GLN N N 106 120.850 120.850 120.922 -0.072 25638 9894 1 16 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.468 -0.137 25638 9895 1 16 . 1 1 106 106 GLN C C 106 176.713 176.713 174.637 2.076 25638 9896 1 16 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.114 0.838 25638 9897 1 16 . 1 1 106 106 GLN CB C 106 29.254 29.254 31.062 -1.808 25638 9898 1 16 . 1 1 106 106 GLN H H 106 8.281 8.281 8.307 -0.026 25638 9899 1 16 . 1 1 107 107 ASN N N 107 120.271 120.271 119.695 0.576 25638 9900 1 16 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.731 0.059 25638 9901 1 16 . 1 1 107 107 ASN C C 107 175.337 175.337 175.388 -0.051 25638 9902 1 16 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.135 0.218 25638 9903 1 16 . 1 1 107 107 ASN CB C 107 39.094 39.094 38.885 0.209 25638 9904 1 16 . 1 1 107 107 ASN H H 107 8.434 8.434 8.419 0.015 25638 9905 1 17 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.533 -0.088 25638 9906 1 17 . 1 1 2 2 PRO C C 2 178.089 178.089 175.773 2.316 25638 9907 1 17 . 1 1 2 2 PRO CA C 2 63.306 63.306 63.140 0.166 25638 9908 1 17 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.131 0.337 25638 9909 1 17 . 1 1 3 3 LEU N N 3 122.239 122.239 121.476 0.763 25638 9910 1 17 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.312 -0.015 25638 9911 1 17 . 1 1 3 3 LEU C C 3 178.876 178.876 178.265 0.611 25638 9912 1 17 . 1 1 3 3 LEU CA C 3 55.529 55.529 55.538 -0.009 25638 9913 1 17 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.133 0.017 25638 9914 1 17 . 1 1 3 3 LEU H H 3 8.522 8.522 8.578 -0.056 25638 9915 1 17 . 1 1 4 4 GLY N N 4 109.572 109.572 108.913 0.659 25638 9916 1 17 . 1 1 4 4 GLY C C 4 174.630 174.630 174.820 -0.190 25638 9917 1 17 . 1 1 4 4 GLY CA C 4 45.333 45.333 45.683 -0.350 25638 9918 1 17 . 1 1 4 4 GLY H H 4 8.349 8.349 8.579 -0.230 25638 9919 1 17 . 1 1 5 5 SER N N 5 115.481 115.481 117.181 -1.700 25638 9920 1 17 . 1 1 5 5 SER HA H 5 4.513 4.513 4.305 0.208 25638 9921 1 17 . 1 1 5 5 SER C C 5 174.667 174.667 174.463 0.204 25638 9922 1 17 . 1 1 5 5 SER CA C 5 57.801 57.801 58.277 -0.476 25638 9923 1 17 . 1 1 5 5 SER CB C 5 64.536 64.536 63.756 0.780 25638 9924 1 17 . 1 1 5 5 SER H H 5 8.119 8.119 7.744 0.375 25638 9925 1 17 . 1 1 6 6 LEU N N 6 121.895 121.895 123.482 -1.587 25638 9926 1 17 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.258 0.396 25638 9927 1 17 . 1 1 6 6 LEU C C 6 177.932 177.932 176.614 1.318 25638 9928 1 17 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.742 -0.820 25638 9929 1 17 . 1 1 6 6 LEU CB C 6 44.606 44.606 40.341 4.265 25638 9930 1 17 . 1 1 6 6 LEU H H 6 8.319 8.319 8.501 -0.182 25638 9931 1 17 . 1 1 7 7 ASP N N 7 121.978 121.978 125.131 -3.153 25638 9932 1 17 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.468 0.138 25638 9933 1 17 . 1 1 7 7 ASP C C 7 176.477 176.477 177.401 -0.924 25638 9934 1 17 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.683 -1.465 25638 9935 1 17 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.993 -2.035 25638 9936 1 17 . 1 1 7 7 ASP H H 7 8.318 8.318 8.077 0.241 25638 9937 1 17 . 1 1 8 8 GLN N N 8 119.885 119.885 120.818 -0.933 25638 9938 1 17 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.025 0.061 25638 9939 1 17 . 1 1 8 8 GLN C C 8 179.710 179.710 178.476 1.234 25638 9940 1 17 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.443 0.382 25638 9941 1 17 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.703 -0.219 25638 9942 1 17 . 1 1 8 8 GLN H H 8 8.746 8.746 8.774 -0.028 25638 9943 1 17 . 1 1 9 9 LYS N N 9 120.863 120.863 118.828 2.035 25638 9944 1 17 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.101 0.096 25638 9945 1 17 . 1 1 9 9 LYS C C 9 180.333 180.333 178.856 1.477 25638 9946 1 17 . 1 1 9 9 LYS CA C 9 59.374 59.374 60.047 -0.673 25638 9947 1 17 . 1 1 9 9 LYS CB C 9 31.957 31.957 32.175 -0.218 25638 9948 1 17 . 1 1 9 9 LYS H H 9 8.454 8.454 8.969 -0.515 25638 9949 1 17 . 1 1 10 10 THR N N 10 118.654 118.654 117.543 1.111 25638 9950 1 17 . 1 1 10 10 THR HA H 10 3.985 3.985 4.195 -0.210 25638 9951 1 17 . 1 1 10 10 THR C C 10 177.904 177.904 177.148 0.756 25638 9952 1 17 . 1 1 10 10 THR CA C 10 67.618 67.618 66.510 1.109 25638 9953 1 17 . 1 1 10 10 THR CB C 10 67.523 67.523 68.656 -1.133 25638 9954 1 17 . 1 1 10 10 THR H H 10 8.531 8.531 7.766 0.765 25638 9955 1 17 . 1 1 11 11 PHE N N 11 123.876 123.876 122.810 1.066 25638 9956 1 17 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.190 -0.196 25638 9957 1 17 . 1 1 11 11 PHE C C 11 177.676 177.676 177.108 0.568 25638 9958 1 17 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.994 1.225 25638 9959 1 17 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.133 0.213 25638 9960 1 17 . 1 1 11 11 PHE H H 11 9.296 9.296 8.797 0.499 25638 9961 1 17 . 1 1 12 12 SER N N 12 114.219 114.219 115.731 -1.512 25638 9962 1 17 . 1 1 12 12 SER HA H 12 4.151 4.151 4.162 -0.011 25638 9963 1 17 . 1 1 12 12 SER C C 12 177.922 177.922 176.891 1.031 25638 9964 1 17 . 1 1 12 12 SER CA C 12 62.899 62.899 62.471 0.428 25638 9965 1 17 . 1 1 12 12 SER CB C 12 63.194 63.194 63.149 0.045 25638 9966 1 17 . 1 1 12 12 SER H H 12 8.306 8.306 8.220 0.086 25638 9967 1 17 . 1 1 13 13 ILE N N 13 123.613 123.613 122.216 1.397 25638 9968 1 17 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.887 -0.050 25638 9969 1 17 . 1 1 13 13 ILE C C 13 179.563 179.563 177.833 1.730 25638 9970 1 17 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.148 -0.048 25638 9971 1 17 . 1 1 13 13 ILE CB C 13 38.310 38.310 38.087 0.223 25638 9972 1 17 . 1 1 13 13 ILE H H 13 7.897 7.897 8.227 -0.330 25638 9973 1 17 . 1 1 14 14 CYS N N 14 118.125 118.125 118.482 -0.357 25638 9974 1 17 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.513 0.038 25638 9975 1 17 . 1 1 14 14 CYS C C 14 176.010 176.010 175.787 0.223 25638 9976 1 17 . 1 1 14 14 CYS CA C 14 64.572 64.572 63.859 0.713 25638 9977 1 17 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.897 0.824 25638 9978 1 17 . 1 1 14 14 CYS H H 14 8.329 8.329 8.140 0.189 25638 9979 1 17 . 1 1 15 15 LYS N N 15 118.532 118.532 118.896 -0.364 25638 9980 1 17 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.835 -0.686 25638 9981 1 17 . 1 1 15 15 LYS C C 15 179.846 179.846 177.666 2.180 25638 9982 1 17 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.610 0.122 25638 9983 1 17 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.068 0.024 25638 9984 1 17 . 1 1 15 15 LYS H H 15 8.025 8.025 7.425 0.600 25638 9985 1 17 . 1 1 16 16 GLU N N 16 118.138 118.138 117.195 0.943 25638 9986 1 17 . 1 1 16 16 GLU HA H 16 4.027 4.027 3.968 0.059 25638 9987 1 17 . 1 1 16 16 GLU C C 16 180.959 180.959 179.223 1.736 25638 9988 1 17 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.516 0.626 25638 9989 1 17 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.496 -0.383 25638 9990 1 17 . 1 1 16 16 GLU H H 16 7.403 7.403 7.431 -0.028 25638 9991 1 17 . 1 1 17 17 ARG N N 17 117.969 117.969 118.123 -0.154 25638 9992 1 17 . 1 1 17 17 ARG HA H 17 4.063 4.063 3.917 0.146 25638 9993 1 17 . 1 1 17 17 ARG C C 17 179.544 179.544 178.492 1.052 25638 9994 1 17 . 1 1 17 17 ARG CA C 17 58.155 58.155 58.155 -0.000 25638 9995 1 17 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.155 -0.188 25638 9996 1 17 . 1 1 17 17 ARG H H 17 8.325 8.325 7.986 0.339 25638 9997 1 17 . 1 1 18 18 MET N N 18 113.332 113.332 116.867 -3.535 25638 9998 1 17 . 1 1 18 18 MET HA H 18 4.561 4.561 4.581 -0.020 25638 9999 1 17 . 1 1 18 18 MET C C 18 176.890 176.890 175.276 1.614 25638 10000 1 17 . 1 1 18 18 MET CA C 18 53.377 53.377 53.084 0.293 25638 10001 1 17 . 1 1 18 18 MET CB C 18 29.724 29.724 29.643 0.081 25638 10002 1 17 . 1 1 18 18 MET H H 18 7.718 7.718 7.979 -0.261 25638 10003 1 17 . 1 1 19 19 ARG N N 19 123.288 123.288 121.420 1.868 25638 10004 1 17 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.264 -0.113 25638 10005 1 17 . 1 1 19 19 ARG C C 19 176.556 176.556 176.589 -0.033 25638 10006 1 17 . 1 1 19 19 ARG CA C 19 61.133 61.133 61.369 -0.236 25638 10007 1 17 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.583 -0.325 25638 10008 1 17 . 1 1 19 19 ARG H H 19 7.152 7.152 7.528 -0.376 25638 10009 1 17 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.139 0.204 25638 10010 1 17 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.195 0.802 25638 10011 1 17 . 1 1 20 20 PRO CB C 20 31.840 31.840 30.853 0.987 25638 10012 1 17 . 1 1 21 21 VAL N N 21 105.802 105.802 111.772 -5.970 25638 10013 1 17 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.226 0.595 25638 10014 1 17 . 1 1 21 21 VAL C C 21 176.261 176.261 176.504 -0.243 25638 10015 1 17 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.407 -1.304 25638 10016 1 17 . 1 1 21 21 VAL CB C 21 30.856 30.856 30.631 0.225 25638 10017 1 17 . 1 1 21 21 VAL H H 21 7.352 7.352 7.776 -0.424 25638 10018 1 17 . 1 1 22 22 LYS N N 22 122.802 122.802 122.918 -0.116 25638 10019 1 17 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.816 -0.052 25638 10020 1 17 . 1 1 22 22 LYS C C 22 178.758 178.758 178.209 0.549 25638 10021 1 17 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.472 -0.140 25638 10022 1 17 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.112 0.102 25638 10023 1 17 . 1 1 22 22 LYS H H 22 7.640 7.640 7.467 0.173 25638 10024 1 17 . 1 1 23 23 ALA N N 23 120.067 120.067 120.599 -0.532 25638 10025 1 17 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.164 -0.089 25638 10026 1 17 . 1 1 23 23 ALA C C 23 180.998 180.998 179.207 1.791 25638 10027 1 17 . 1 1 23 23 ALA CA C 23 55.159 55.159 54.582 0.577 25638 10028 1 17 . 1 1 23 23 ALA CB C 23 17.914 17.914 18.003 -0.089 25638 10029 1 17 . 1 1 23 23 ALA H H 23 8.571 8.571 8.432 0.139 25638 10030 1 17 . 1 1 24 24 ALA N N 24 121.068 121.068 121.852 -0.784 25638 10031 1 17 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.152 0.010 25638 10032 1 17 . 1 1 24 24 ALA C C 24 180.271 180.271 179.470 0.801 25638 10033 1 17 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.661 0.095 25638 10034 1 17 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.544 -0.351 25638 10035 1 17 . 1 1 24 24 ALA H H 24 7.320 7.320 7.807 -0.487 25638 10036 1 17 . 1 1 25 25 LEU N N 25 117.214 117.214 118.495 -1.281 25638 10037 1 17 . 1 1 25 25 LEU HA H 25 3.711 3.711 4.082 -0.371 25638 10038 1 17 . 1 1 25 25 LEU C C 25 179.524 179.524 179.129 0.395 25638 10039 1 17 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.105 -0.154 25638 10040 1 17 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.516 -0.886 25638 10041 1 17 . 1 1 25 25 LEU H H 25 7.698 7.698 8.450 -0.751 25638 10042 1 17 . 1 1 26 26 LYS N N 26 116.336 116.336 118.658 -2.322 25638 10043 1 17 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.132 0.031 25638 10044 1 17 . 1 1 26 26 LYS C C 26 179.308 179.308 178.577 0.731 25638 10045 1 17 . 1 1 26 26 LYS CA C 26 58.414 58.414 58.672 -0.258 25638 10046 1 17 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.270 -0.104 25638 10047 1 17 . 1 1 26 26 LYS H H 26 7.675 7.675 7.937 -0.262 25638 10048 1 17 . 1 1 27 27 GLN N N 27 116.118 116.118 118.070 -1.952 25638 10049 1 17 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.080 0.195 25638 10050 1 17 . 1 1 27 27 GLN C C 27 178.679 178.679 177.546 1.133 25638 10051 1 17 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.755 -1.948 25638 10052 1 17 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.551 1.469 25638 10053 1 17 . 1 1 27 27 GLN H H 27 7.520 7.520 8.089 -0.569 25638 10054 1 17 . 1 1 28 28 LEU N N 28 121.335 121.335 116.420 4.915 25638 10055 1 17 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.351 -0.198 25638 10056 1 17 . 1 1 28 28 LEU C C 28 178.168 178.168 178.640 -0.472 25638 10057 1 17 . 1 1 28 28 LEU CA C 28 58.042 58.042 56.050 1.992 25638 10058 1 17 . 1 1 28 28 LEU CB C 28 41.911 41.911 41.331 0.579 25638 10059 1 17 . 1 1 28 28 LEU H H 28 7.506 7.506 7.642 -0.136 25638 10060 1 17 . 1 1 29 29 ASP N N 29 117.486 117.486 120.965 -3.479 25638 10061 1 17 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.645 0.269 25638 10062 1 17 . 1 1 29 29 ASP C C 29 176.772 176.772 176.441 0.331 25638 10063 1 17 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.620 -2.494 25638 10064 1 17 . 1 1 29 29 ASP CB C 29 42.715 42.715 42.218 0.497 25638 10065 1 17 . 1 1 29 29 ASP H H 29 8.120 8.120 7.851 0.269 25638 10066 1 17 . 1 1 30 30 ARG N N 30 119.107 119.107 119.466 -0.359 25638 10067 1 17 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.873 -0.112 25638 10068 1 17 . 1 1 30 30 ARG C C 30 173.824 173.824 174.070 -0.246 25638 10069 1 17 . 1 1 30 30 ARG CA C 30 53.231 53.231 52.639 0.592 25638 10070 1 17 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.781 -0.470 25638 10071 1 17 . 1 1 30 30 ARG H H 30 7.701 7.701 8.134 -0.433 25638 10072 1 17 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.808 -0.542 25638 10073 1 17 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.246 0.699 25638 10074 1 17 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.490 -0.477 25638 10075 1 17 . 1 1 32 32 GLU N N 32 122.391 122.391 122.297 0.094 25638 10076 1 17 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.341 -0.153 25638 10077 1 17 . 1 1 32 32 GLU C C 32 177.401 177.401 175.922 1.479 25638 10078 1 17 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.026 0.362 25638 10079 1 17 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.374 -0.186 25638 10080 1 17 . 1 1 32 32 GLU H H 32 8.454 8.454 8.383 0.071 25638 10081 1 17 . 1 1 33 33 LYS N N 33 123.127 123.127 119.866 3.261 25638 10082 1 17 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.703 -0.527 25638 10083 1 17 . 1 1 33 33 LYS C C 33 178.482 178.482 176.831 1.651 25638 10084 1 17 . 1 1 33 33 LYS CA C 33 57.127 57.127 55.554 1.573 25638 10085 1 17 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.002 -0.362 25638 10086 1 17 . 1 1 33 33 LYS H H 33 8.338 8.338 8.370 -0.032 25638 10087 1 17 . 1 1 34 34 GLY N N 34 109.507 109.507 108.428 1.079 25638 10088 1 17 . 1 1 34 34 GLY C C 34 175.475 175.475 174.310 1.165 25638 10089 1 17 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.463 -0.145 25638 10090 1 17 . 1 1 34 34 GLY H H 34 8.643 8.643 8.127 0.516 25638 10091 1 17 . 1 1 35 35 LEU N N 35 120.392 120.392 119.209 1.183 25638 10092 1 17 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.700 -0.185 25638 10093 1 17 . 1 1 35 35 LEU C C 35 178.797 178.797 176.522 2.275 25638 10094 1 17 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.542 0.907 25638 10095 1 17 . 1 1 35 35 LEU CB C 35 43.116 43.116 43.903 -0.787 25638 10096 1 17 . 1 1 35 35 LEU H H 35 7.480 7.480 7.479 0.001 25638 10097 1 17 . 1 1 36 36 SER N N 36 118.629 118.629 115.581 3.048 25638 10098 1 17 . 1 1 36 36 SER HA H 36 4.471 4.471 4.539 -0.068 25638 10099 1 17 . 1 1 36 36 SER C C 36 175.632 175.632 175.320 0.312 25638 10100 1 17 . 1 1 36 36 SER CA C 36 57.814 57.814 58.046 -0.232 25638 10101 1 17 . 1 1 36 36 SER CB C 36 64.678 64.678 63.907 0.771 25638 10102 1 17 . 1 1 36 36 SER H H 36 8.838 8.838 8.227 0.611 25638 10103 1 17 . 1 1 37 37 GLU N N 37 122.722 122.722 123.968 -1.246 25638 10104 1 17 . 1 1 37 37 GLU HA H 37 4.014 4.014 3.957 0.057 25638 10105 1 17 . 1 1 37 37 GLU C C 37 179.976 179.976 178.722 1.254 25638 10106 1 17 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.248 1.330 25638 10107 1 17 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.520 -0.171 25638 10108 1 17 . 1 1 37 37 GLU H H 37 9.018 9.018 8.927 0.091 25638 10109 1 17 . 1 1 38 38 ARG N N 38 118.418 118.418 119.383 -0.965 25638 10110 1 17 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.171 -0.058 25638 10111 1 17 . 1 1 38 38 ARG C C 38 180.212 180.212 178.561 1.651 25638 10112 1 17 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.730 0.719 25638 10113 1 17 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.008 -0.201 25638 10114 1 17 . 1 1 38 38 ARG H H 38 8.509 8.509 8.433 0.076 25638 10115 1 17 . 1 1 39 39 GLU N N 39 119.730 119.730 118.351 1.379 25638 10116 1 17 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.079 0.011 25638 10117 1 17 . 1 1 39 39 GLU C C 39 180.529 180.529 179.172 1.357 25638 10118 1 17 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.455 -0.562 25638 10119 1 17 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.836 1.721 25638 10120 1 17 . 1 1 39 39 GLU H H 39 7.761 7.761 7.975 -0.214 25638 10121 1 17 . 1 1 40 40 GLN N N 40 121.665 121.665 118.218 3.447 25638 10122 1 17 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.148 -0.104 25638 10123 1 17 . 1 1 40 40 GLN C C 40 179.760 179.760 178.433 1.327 25638 10124 1 17 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.246 1.124 25638 10125 1 17 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.086 0.402 25638 10126 1 17 . 1 1 40 40 GLN H H 40 8.871 8.871 7.733 1.138 25638 10127 1 17 . 1 1 41 41 LEU N N 41 121.002 121.002 121.774 -0.772 25638 10128 1 17 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.114 0.113 25638 10129 1 17 . 1 1 41 41 LEU C C 41 180.841 180.841 179.199 1.642 25638 10130 1 17 . 1 1 41 41 LEU CA C 41 58.290 58.290 57.658 0.632 25638 10131 1 17 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.954 -0.353 25638 10132 1 17 . 1 1 41 41 LEU H H 41 8.140 8.140 7.716 0.424 25638 10133 1 17 . 1 1 42 42 GLU N N 42 119.818 119.818 118.929 0.889 25638 10134 1 17 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.883 0.351 25638 10135 1 17 . 1 1 42 42 GLU C C 42 179.603 179.603 178.865 0.738 25638 10136 1 17 . 1 1 42 42 GLU CA C 42 58.910 58.910 60.132 -1.222 25638 10137 1 17 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.606 -0.639 25638 10138 1 17 . 1 1 42 42 GLU H H 42 7.894 7.894 7.959 -0.065 25638 10139 1 17 . 1 1 43 43 HIS N N 43 119.964 119.964 118.411 1.553 25638 10140 1 17 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.275 0.146 25638 10141 1 17 . 1 1 43 43 HIS C C 43 179.140 179.140 177.694 1.446 25638 10142 1 17 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.154 -0.341 25638 10143 1 17 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.080 -0.636 25638 10144 1 17 . 1 1 43 43 HIS H H 43 8.437 8.437 8.417 0.020 25638 10145 1 17 . 1 1 44 44 THR N N 44 117.768 117.768 115.764 2.004 25638 10146 1 17 . 1 1 44 44 THR HA H 44 3.884 3.884 4.096 -0.212 25638 10147 1 17 . 1 1 44 44 THR C C 44 179.008 179.008 176.617 2.391 25638 10148 1 17 . 1 1 44 44 THR CA C 44 67.603 67.603 67.130 0.473 25638 10149 1 17 . 1 1 44 44 THR CB C 44 68.981 68.981 68.347 0.634 25638 10150 1 17 . 1 1 44 44 THR H H 44 8.589 8.589 8.404 0.185 25638 10151 1 17 . 1 1 45 45 ARG N N 45 121.750 121.750 120.967 0.783 25638 10152 1 17 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.231 -0.352 25638 10153 1 17 . 1 1 45 45 ARG C C 45 178.817 178.817 178.445 0.372 25638 10154 1 17 . 1 1 45 45 ARG CA C 45 60.859 60.859 58.442 2.417 25638 10155 1 17 . 1 1 45 45 ARG CB C 45 30.716 30.716 28.683 2.034 25638 10156 1 17 . 1 1 45 45 ARG H H 45 8.255 8.255 7.765 0.490 25638 10157 1 17 . 1 1 46 46 GLN N N 46 116.576 116.576 120.450 -3.874 25638 10158 1 17 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.086 -0.062 25638 10159 1 17 . 1 1 46 46 GLN C C 46 181.018 181.018 178.513 2.505 25638 10160 1 17 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.993 0.582 25638 10161 1 17 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.369 -0.614 25638 10162 1 17 . 1 1 46 46 GLN H H 46 8.328 8.328 8.187 0.141 25638 10163 1 17 . 1 1 47 47 CYS N N 47 118.569 118.569 119.245 -0.676 25638 10164 1 17 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.132 -0.049 25638 10165 1 17 . 1 1 47 47 CYS C C 47 177.244 177.244 176.932 0.312 25638 10166 1 17 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.562 -0.458 25638 10167 1 17 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.399 -0.336 25638 10168 1 17 . 1 1 47 47 CYS H H 47 8.029 8.029 8.457 -0.428 25638 10169 1 17 . 1 1 48 48 LEU N N 48 119.873 119.873 120.916 -1.043 25638 10170 1 17 . 1 1 48 48 LEU HA H 48 4.069 4.069 3.977 0.092 25638 10171 1 17 . 1 1 48 48 LEU C C 48 179.839 179.839 179.080 0.759 25638 10172 1 17 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.744 -0.431 25638 10173 1 17 . 1 1 48 48 LEU CB C 48 42.225 42.225 42.106 0.119 25638 10174 1 17 . 1 1 48 48 LEU H H 48 8.539 8.539 8.348 0.191 25638 10175 1 17 . 1 1 49 49 ILE N N 49 119.523 119.523 116.126 3.397 25638 10176 1 17 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.099 -0.129 25638 10177 1 17 . 1 1 49 49 ILE C C 49 178.188 178.188 177.827 0.361 25638 10178 1 17 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.175 1.036 25638 10179 1 17 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.384 0.611 25638 10180 1 17 . 1 1 49 49 ILE H H 49 8.516 8.516 8.524 -0.008 25638 10181 1 17 . 1 1 50 50 LYS N N 50 118.622 118.622 119.991 -1.369 25638 10182 1 17 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.137 0.056 25638 10183 1 17 . 1 1 50 50 LYS C C 50 181.391 181.391 179.022 2.369 25638 10184 1 17 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.102 0.445 25638 10185 1 17 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.358 0.232 25638 10186 1 17 . 1 1 50 50 LYS H H 50 7.522 7.522 7.647 -0.125 25638 10187 1 17 . 1 1 51 51 ILE N N 51 119.288 119.288 119.633 -0.345 25638 10188 1 17 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.628 -0.179 25638 10189 1 17 . 1 1 51 51 ILE C C 51 178.384 178.384 177.828 0.556 25638 10190 1 17 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.676 0.091 25638 10191 1 17 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.841 1.139 25638 10192 1 17 . 1 1 51 51 ILE H H 51 8.107 8.107 8.711 -0.604 25638 10193 1 17 . 1 1 52 52 GLY N N 52 108.211 108.211 106.449 1.762 25638 10194 1 17 . 1 1 52 52 GLY C C 52 178.168 178.168 175.117 3.051 25638 10195 1 17 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.442 0.622 25638 10196 1 17 . 1 1 52 52 GLY H H 52 9.224 9.224 8.293 0.931 25638 10197 1 17 . 1 1 53 53 ASP N N 53 124.013 124.013 123.242 0.771 25638 10198 1 17 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.460 0.074 25638 10199 1 17 . 1 1 53 53 ASP C C 53 179.976 179.976 177.709 2.267 25638 10200 1 17 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.411 0.217 25638 10201 1 17 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.976 -1.694 25638 10202 1 17 . 1 1 53 53 ASP H H 53 9.091 9.091 8.088 1.003 25638 10203 1 17 . 1 1 54 54 HIS N N 54 121.598 121.598 118.809 2.789 25638 10204 1 17 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.285 0.121 25638 10205 1 17 . 1 1 54 54 HIS C C 54 178.982 178.982 178.202 0.780 25638 10206 1 17 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.695 0.765 25638 10207 1 17 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.892 1.675 25638 10208 1 17 . 1 1 54 54 HIS H H 54 7.664 7.664 7.983 -0.319 25638 10209 1 17 . 1 1 55 55 ILE N N 55 121.892 121.892 120.868 1.024 25638 10210 1 17 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.519 -0.335 25638 10211 1 17 . 1 1 55 55 ILE C C 55 178.188 178.188 177.699 0.489 25638 10212 1 17 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.533 2.144 25638 10213 1 17 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.488 -0.244 25638 10214 1 17 . 1 1 55 55 ILE H H 55 8.255 8.255 8.228 0.027 25638 10215 1 17 . 1 1 56 56 THR N N 56 115.458 115.458 115.958 -0.500 25638 10216 1 17 . 1 1 56 56 THR HA H 56 3.759 3.759 3.837 -0.078 25638 10217 1 17 . 1 1 56 56 THR C C 56 180.195 180.195 176.870 3.325 25638 10218 1 17 . 1 1 56 56 THR CA C 56 67.551 67.551 66.932 0.619 25638 10219 1 17 . 1 1 56 56 THR CB C 56 68.756 68.756 68.560 0.196 25638 10220 1 17 . 1 1 56 56 THR H H 56 8.047 8.047 7.662 0.385 25638 10221 1 17 . 1 1 57 57 GLU N N 57 121.544 121.544 121.329 0.215 25638 10222 1 17 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.008 -0.054 25638 10223 1 17 . 1 1 57 57 GLU C C 57 180.979 180.979 178.590 2.389 25638 10224 1 17 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.205 0.174 25638 10225 1 17 . 1 1 57 57 GLU CB C 57 28.740 28.740 28.628 0.112 25638 10226 1 17 . 1 1 57 57 GLU H H 57 7.591 7.591 8.374 -0.783 25638 10227 1 17 . 1 1 58 58 CYS N N 58 118.970 118.970 118.614 0.356 25638 10228 1 17 . 1 1 58 58 CYS HA H 58 3.940 3.940 3.974 -0.034 25638 10229 1 17 . 1 1 58 58 CYS C C 58 178.089 178.089 177.385 0.704 25638 10230 1 17 . 1 1 58 58 CYS CA C 58 63.222 63.222 63.225 -0.003 25638 10231 1 17 . 1 1 58 58 CYS CB C 58 26.562 26.562 26.873 -0.312 25638 10232 1 17 . 1 1 58 58 CYS H H 58 8.206 8.206 7.449 0.757 25638 10233 1 17 . 1 1 59 59 LEU N N 59 116.873 116.873 119.964 -3.091 25638 10234 1 17 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.185 0.066 25638 10235 1 17 . 1 1 59 59 LEU C C 59 179.033 179.033 178.930 0.103 25638 10236 1 17 . 1 1 59 59 LEU CA C 59 56.039 56.039 56.044 -0.004 25638 10237 1 17 . 1 1 59 59 LEU CB C 59 41.037 41.037 40.488 0.549 25638 10238 1 17 . 1 1 59 59 LEU H H 59 7.726 7.726 8.204 -0.478 25638 10239 1 17 . 1 1 60 60 LYS N N 60 117.911 117.911 117.669 0.242 25638 10240 1 17 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.000 0.131 25638 10241 1 17 . 1 1 60 60 LYS C C 60 177.912 177.912 177.352 0.560 25638 10242 1 17 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.835 -0.298 25638 10243 1 17 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.968 0.422 25638 10244 1 17 . 1 1 60 60 LYS H H 60 7.298 7.298 7.748 -0.450 25638 10245 1 17 . 1 1 61 61 GLU N N 61 115.507 115.507 117.431 -1.924 25638 10246 1 17 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.964 -0.075 25638 10247 1 17 . 1 1 61 61 GLU C C 61 176.576 176.576 176.944 -0.368 25638 10248 1 17 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.728 -0.677 25638 10249 1 17 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.797 -0.063 25638 10250 1 17 . 1 1 61 61 GLU H H 61 7.084 7.084 7.254 -0.170 25638 10251 1 17 . 1 1 62 62 TYR N N 62 118.581 118.581 118.576 0.005 25638 10252 1 17 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.576 0.130 25638 10253 1 17 . 1 1 62 62 TYR C C 62 175.935 175.935 176.066 -0.131 25638 10254 1 17 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.832 -0.685 25638 10255 1 17 . 1 1 62 62 TYR CB C 62 40.385 40.385 39.036 1.349 25638 10256 1 17 . 1 1 62 62 TYR H H 62 7.387 7.387 7.127 0.260 25638 10257 1 17 . 1 1 63 63 THR N N 63 109.064 109.064 113.645 -4.581 25638 10258 1 17 . 1 1 63 63 THR HA H 63 4.507 4.507 4.398 0.109 25638 10259 1 17 . 1 1 63 63 THR C C 63 175.888 175.888 174.582 1.306 25638 10260 1 17 . 1 1 63 63 THR CA C 63 61.684 61.684 62.234 -0.550 25638 10261 1 17 . 1 1 63 63 THR CB C 63 70.092 70.092 69.142 0.950 25638 10262 1 17 . 1 1 63 63 THR H H 63 8.471 8.471 8.544 -0.073 25638 10263 1 17 . 1 1 64 64 ASN N N 64 123.204 123.204 120.931 2.273 25638 10264 1 17 . 1 1 64 64 ASN HA H 64 5.171 5.171 5.118 0.053 25638 10265 1 17 . 1 1 64 64 ASN C C 64 175.495 175.495 174.306 1.189 25638 10266 1 17 . 1 1 64 64 ASN CA C 64 51.137 51.137 50.528 0.609 25638 10267 1 17 . 1 1 64 64 ASN CB C 64 39.680 39.680 39.401 0.279 25638 10268 1 17 . 1 1 64 64 ASN H H 64 7.993 7.993 8.183 -0.190 25638 10269 1 17 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.372 -0.102 25638 10270 1 17 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.338 0.354 25638 10271 1 17 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.173 0.226 25638 10272 1 17 . 1 1 66 66 GLU N N 66 118.060 118.060 119.749 -1.689 25638 10273 1 17 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.078 0.054 25638 10274 1 17 . 1 1 66 66 GLU C C 66 180.409 180.409 179.079 1.330 25638 10275 1 17 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.831 -0.458 25638 10276 1 17 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.760 0.043 25638 10277 1 17 . 1 1 66 66 GLU H H 66 8.297 8.297 8.816 -0.519 25638 10278 1 17 . 1 1 67 67 GLN N N 67 120.531 120.531 118.210 2.321 25638 10279 1 17 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.939 0.228 25638 10280 1 17 . 1 1 67 67 GLN C C 67 179.072 179.072 178.686 0.386 25638 10281 1 17 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.022 -0.194 25638 10282 1 17 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.390 0.853 25638 10283 1 17 . 1 1 67 67 GLN H H 67 7.738 7.738 8.227 -0.489 25638 10284 1 17 . 1 1 68 68 ILE N N 68 119.632 119.632 118.042 1.590 25638 10285 1 17 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.947 -0.399 25638 10286 1 17 . 1 1 68 68 ILE C C 68 178.109 178.109 177.953 0.156 25638 10287 1 17 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.234 1.363 25638 10288 1 17 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.619 1.320 25638 10289 1 17 . 1 1 68 68 ILE H H 68 7.956 7.956 8.465 -0.509 25638 10290 1 17 . 1 1 69 69 LYS N N 69 117.236 117.236 119.791 -2.555 25638 10291 1 17 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.042 -0.113 25638 10292 1 17 . 1 1 69 69 LYS C C 69 180.271 180.271 178.957 1.314 25638 10293 1 17 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.499 0.422 25638 10294 1 17 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.402 0.205 25638 10295 1 17 . 1 1 69 69 LYS H H 69 7.665 7.665 7.949 -0.284 25638 10296 1 17 . 1 1 70 70 GLN N N 70 118.748 118.748 120.461 -1.713 25638 10297 1 17 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.059 -0.204 25638 10298 1 17 . 1 1 70 70 GLN C C 70 179.131 179.131 178.058 1.073 25638 10299 1 17 . 1 1 70 70 GLN CA C 70 58.252 58.252 59.039 -0.787 25638 10300 1 17 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.262 0.415 25638 10301 1 17 . 1 1 70 70 GLN H H 70 7.787 7.787 8.301 -0.514 25638 10302 1 17 . 1 1 71 71 TRP N N 71 118.896 118.896 119.842 -0.946 25638 10303 1 17 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.299 -0.256 25638 10304 1 17 . 1 1 71 71 TRP C C 71 178.679 178.679 178.758 -0.079 25638 10305 1 17 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.351 1.598 25638 10306 1 17 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.387 -1.143 25638 10307 1 17 . 1 1 71 71 TRP H H 71 8.374 8.374 8.665 -0.291 25638 10308 1 17 . 1 1 72 72 ARG N N 72 122.698 122.698 119.228 3.470 25638 10309 1 17 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.856 -0.037 25638 10310 1 17 . 1 1 72 72 ARG C C 72 178.561 178.561 178.511 0.050 25638 10311 1 17 . 1 1 72 72 ARG CA C 72 61.032 61.032 60.225 0.807 25638 10312 1 17 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.142 0.127 25638 10313 1 17 . 1 1 72 72 ARG H H 72 8.808 8.808 8.521 0.287 25638 10314 1 17 . 1 1 73 73 LYS N N 73 116.946 116.946 118.291 -1.345 25638 10315 1 17 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.253 -0.073 25638 10316 1 17 . 1 1 73 73 LYS C C 73 179.622 179.622 178.935 0.687 25638 10317 1 17 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.362 0.173 25638 10318 1 17 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.130 -0.415 25638 10319 1 17 . 1 1 73 73 LYS H H 73 7.380 7.380 7.781 -0.401 25638 10320 1 17 . 1 1 74 74 ASN N N 74 116.434 116.434 120.055 -3.621 25638 10321 1 17 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.595 -0.318 25638 10322 1 17 . 1 1 74 74 ASN C C 74 178.148 178.148 177.958 0.190 25638 10323 1 17 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.278 -0.415 25638 10324 1 17 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.155 -0.121 25638 10325 1 17 . 1 1 74 74 ASN H H 74 8.309 8.309 8.564 -0.255 25638 10326 1 17 . 1 1 75 75 LEU N N 75 118.967 118.967 120.806 -1.839 25638 10327 1 17 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.075 0.050 25638 10328 1 17 . 1 1 75 75 LEU C C 75 180.251 180.251 178.591 1.660 25638 10329 1 17 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.875 -0.048 25638 10330 1 17 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.450 -0.466 25638 10331 1 17 . 1 1 75 75 LEU H H 75 8.635 8.635 8.425 0.210 25638 10332 1 17 . 1 1 76 76 TRP N N 76 118.544 118.544 119.636 -1.092 25638 10333 1 17 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.213 0.366 25638 10334 1 17 . 1 1 76 76 TRP C C 76 180.900 180.900 179.186 1.714 25638 10335 1 17 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.450 0.966 25638 10336 1 17 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.431 -0.333 25638 10337 1 17 . 1 1 76 76 TRP H H 76 8.006 8.006 7.375 0.631 25638 10338 1 17 . 1 1 77 77 ILE N N 77 121.982 121.982 118.951 3.031 25638 10339 1 17 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.729 0.102 25638 10340 1 17 . 1 1 77 77 ILE C C 77 181.254 181.254 178.097 3.157 25638 10341 1 17 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.445 0.596 25638 10342 1 17 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.178 -0.828 25638 10343 1 17 . 1 1 77 77 ILE H H 77 8.893 8.893 8.744 0.149 25638 10344 1 17 . 1 1 78 78 PHE N N 78 123.458 123.458 119.801 3.657 25638 10345 1 17 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.243 -0.199 25638 10346 1 17 . 1 1 78 78 PHE C C 78 177.618 177.618 177.904 -0.286 25638 10347 1 17 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.783 1.297 25638 10348 1 17 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.369 -0.659 25638 10349 1 17 . 1 1 78 78 PHE H H 78 8.753 8.753 8.259 0.494 25638 10350 1 17 . 1 1 79 79 VAL N N 79 117.726 117.726 118.913 -1.187 25638 10351 1 17 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.740 -0.261 25638 10352 1 17 . 1 1 79 79 VAL C C 79 178.876 178.876 178.247 0.629 25638 10353 1 17 . 1 1 79 79 VAL CA C 79 66.813 66.813 65.677 1.136 25638 10354 1 17 . 1 1 79 79 VAL CB C 79 31.572 31.572 30.931 0.641 25638 10355 1 17 . 1 1 79 79 VAL H H 79 8.232 8.232 8.331 -0.099 25638 10356 1 17 . 1 1 80 80 SER N N 80 114.568 114.568 114.940 -0.372 25638 10357 1 17 . 1 1 80 80 SER HA H 80 4.339 4.339 4.332 0.007 25638 10358 1 17 . 1 1 80 80 SER C C 80 176.261 176.261 175.698 0.563 25638 10359 1 17 . 1 1 80 80 SER CA C 80 61.337 61.337 61.554 -0.217 25638 10360 1 17 . 1 1 80 80 SER CB C 80 62.712 62.712 62.709 0.003 25638 10361 1 17 . 1 1 80 80 SER H H 80 8.353 8.353 8.501 -0.148 25638 10362 1 17 . 1 1 81 81 LYS N N 81 121.180 121.180 120.140 1.040 25638 10363 1 17 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.204 -0.006 25638 10364 1 17 . 1 1 81 81 LYS C C 81 178.305 178.305 178.230 0.075 25638 10365 1 17 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.188 -1.084 25638 10366 1 17 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.917 -2.258 25638 10367 1 17 . 1 1 81 81 LYS H H 81 7.481 7.481 7.412 0.069 25638 10368 1 17 . 1 1 82 82 PHE N N 82 117.950 117.950 119.246 -1.296 25638 10369 1 17 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.724 -0.327 25638 10370 1 17 . 1 1 82 82 PHE C C 82 174.787 174.787 174.578 0.209 25638 10371 1 17 . 1 1 82 82 PHE CA C 82 58.398 58.398 57.639 0.759 25638 10372 1 17 . 1 1 82 82 PHE CB C 82 38.937 38.937 38.038 0.899 25638 10373 1 17 . 1 1 82 82 PHE H H 82 8.256 8.256 7.976 0.280 25638 10374 1 17 . 1 1 83 83 THR N N 83 109.995 109.995 111.690 -1.695 25638 10375 1 17 . 1 1 83 83 THR HA H 83 4.988 4.988 4.708 0.280 25638 10376 1 17 . 1 1 83 83 THR C C 83 174.138 174.138 174.007 0.131 25638 10377 1 17 . 1 1 83 83 THR CA C 83 59.609 59.609 60.391 -0.782 25638 10378 1 17 . 1 1 83 83 THR CB C 83 71.080 71.080 71.184 -0.104 25638 10379 1 17 . 1 1 83 83 THR H H 83 7.665 7.665 7.403 0.262 25638 10380 1 17 . 1 1 84 84 GLU N N 84 119.416 119.416 121.727 -2.311 25638 10381 1 17 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.293 0.102 25638 10382 1 17 . 1 1 84 84 GLU C C 84 177.912 177.912 176.428 1.484 25638 10383 1 17 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.195 -0.699 25638 10384 1 17 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.780 -0.258 25638 10385 1 17 . 1 1 84 84 GLU H H 84 8.409 8.409 8.760 -0.351 25638 10386 1 17 . 1 1 85 85 PHE N N 85 120.265 120.265 120.322 -0.057 25638 10387 1 17 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.630 0.261 25638 10388 1 17 . 1 1 85 85 PHE C C 85 175.809 175.809 175.302 0.507 25638 10389 1 17 . 1 1 85 85 PHE CA C 85 56.109 56.109 56.657 -0.548 25638 10390 1 17 . 1 1 85 85 PHE CB C 85 41.188 41.188 38.720 2.468 25638 10391 1 17 . 1 1 85 85 PHE H H 85 8.210 8.210 7.765 0.445 25638 10392 1 17 . 1 1 86 86 ASP N N 86 118.128 118.128 124.066 -5.938 25638 10393 1 17 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.663 0.073 25638 10394 1 17 . 1 1 86 86 ASP C C 86 176.986 176.986 177.359 -0.373 25638 10395 1 17 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.165 -1.982 25638 10396 1 17 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.346 0.187 25638 10397 1 17 . 1 1 86 86 ASP H H 86 8.119 8.119 8.125 -0.006 25638 10398 1 17 . 1 1 87 87 ALA N N 87 121.912 121.912 124.971 -3.059 25638 10399 1 17 . 1 1 87 87 ALA HA H 87 3.989 3.989 3.942 0.047 25638 10400 1 17 . 1 1 87 87 ALA C C 87 180.378 180.378 179.306 1.072 25638 10401 1 17 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.626 0.449 25638 10402 1 17 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.954 1.253 25638 10403 1 17 . 1 1 87 87 ALA H H 87 8.757 8.757 8.772 -0.015 25638 10404 1 17 . 1 1 88 88 ARG N N 88 117.072 117.072 117.597 -0.525 25638 10405 1 17 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.962 -0.007 25638 10406 1 17 . 1 1 88 88 ARG C C 88 179.975 179.975 178.816 1.159 25638 10407 1 17 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.069 0.183 25638 10408 1 17 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.711 -0.098 25638 10409 1 17 . 1 1 88 88 ARG H H 88 8.147 8.147 8.552 -0.405 25638 10410 1 17 . 1 1 89 89 LYS N N 89 121.809 121.809 120.177 1.632 25638 10411 1 17 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.051 -0.142 25638 10412 1 17 . 1 1 89 89 LYS C C 89 179.505 179.505 178.925 0.580 25638 10413 1 17 . 1 1 89 89 LYS CA C 89 58.986 58.986 59.053 -0.067 25638 10414 1 17 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.063 0.271 25638 10415 1 17 . 1 1 89 89 LYS H H 89 8.022 8.022 7.974 0.048 25638 10416 1 17 . 1 1 90 90 LEU N N 90 118.429 118.429 120.745 -2.316 25638 10417 1 17 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.760 -0.016 25638 10418 1 17 . 1 1 90 90 LEU C C 90 178.069 178.069 177.756 0.313 25638 10419 1 17 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.519 -0.476 25638 10420 1 17 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.905 0.557 25638 10421 1 17 . 1 1 90 90 LEU H H 90 8.139 8.139 8.466 -0.327 25638 10422 1 17 . 1 1 91 91 HIS N N 91 117.214 117.214 117.391 -0.177 25638 10423 1 17 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.599 0.380 25638 10424 1 17 . 1 1 91 91 HIS C C 91 178.069 178.069 177.164 0.905 25638 10425 1 17 . 1 1 91 91 HIS CA C 91 58.178 58.178 59.002 -0.824 25638 10426 1 17 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.703 -0.276 25638 10427 1 17 . 1 1 91 91 HIS H H 91 7.379 7.379 7.660 -0.281 25638 10428 1 17 . 1 1 92 92 LYS N N 92 118.466 118.466 119.873 -1.407 25638 10429 1 17 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.993 -0.358 25638 10430 1 17 . 1 1 92 92 LYS C C 92 180.310 180.310 179.157 1.153 25638 10431 1 17 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.345 0.579 25638 10432 1 17 . 1 1 92 92 LYS CB C 92 32.365 32.365 31.957 0.408 25638 10433 1 17 . 1 1 92 92 LYS H H 92 7.599 7.599 7.461 0.138 25638 10434 1 17 . 1 1 93 93 LEU N N 93 120.752 120.752 121.645 -0.893 25638 10435 1 17 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.887 0.096 25638 10436 1 17 . 1 1 93 93 LEU C C 93 181.269 181.269 179.284 1.985 25638 10437 1 17 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.104 -0.104 25638 10438 1 17 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.643 0.696 25638 10439 1 17 . 1 1 93 93 LEU H H 93 8.351 8.351 8.165 0.186 25638 10440 1 17 . 1 1 94 94 TYR N N 94 122.311 122.311 119.900 2.411 25638 10441 1 17 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.100 0.036 25638 10442 1 17 . 1 1 94 94 TYR C C 94 176.789 176.789 177.357 -0.568 25638 10443 1 17 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.364 -0.064 25638 10444 1 17 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.427 0.151 25638 10445 1 17 . 1 1 94 94 TYR H H 94 8.290 8.290 8.800 -0.510 25638 10446 1 17 . 1 1 95 95 LYS N N 95 117.851 117.851 119.016 -1.165 25638 10447 1 17 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.472 -0.046 25638 10448 1 17 . 1 1 95 95 LYS C C 95 180.684 180.684 178.749 1.935 25638 10449 1 17 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.787 -0.408 25638 10450 1 17 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.213 -0.965 25638 10451 1 17 . 1 1 95 95 LYS H H 95 8.180 8.180 8.048 0.132 25638 10452 1 17 . 1 1 96 96 HIS N N 96 117.611 117.611 117.936 -0.325 25638 10453 1 17 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.221 -0.008 25638 10454 1 17 . 1 1 96 96 HIS C C 96 178.266 178.266 177.543 0.723 25638 10455 1 17 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.733 -0.459 25638 10456 1 17 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.434 0.769 25638 10457 1 17 . 1 1 96 96 HIS H H 96 8.049 8.049 8.133 -0.084 25638 10458 1 17 . 1 1 97 97 ALA N N 97 122.617 122.617 122.292 0.325 25638 10459 1 17 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.073 0.018 25638 10460 1 17 . 1 1 97 97 ALA C C 97 181.352 181.352 179.410 1.942 25638 10461 1 17 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.048 -0.403 25638 10462 1 17 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.303 -0.534 25638 10463 1 17 . 1 1 97 97 ALA H H 97 8.104 8.104 8.112 -0.008 25638 10464 1 17 . 1 1 98 98 ILE N N 98 111.626 111.626 118.496 -6.870 25638 10465 1 17 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.706 0.403 25638 10466 1 17 . 1 1 98 98 ILE C C 98 178.561 178.561 177.984 0.577 25638 10467 1 17 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.312 -1.582 25638 10468 1 17 . 1 1 98 98 ILE CB C 98 37.646 37.646 38.108 -0.462 25638 10469 1 17 . 1 1 98 98 ILE H H 98 7.636 7.636 7.877 -0.241 25638 10470 1 17 . 1 1 99 99 LYS N N 99 124.158 124.158 119.367 4.791 25638 10471 1 17 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.966 0.079 25638 10472 1 17 . 1 1 99 99 LYS C C 99 179.111 179.111 178.414 0.697 25638 10473 1 17 . 1 1 99 99 LYS CA C 99 59.070 59.070 58.101 0.969 25638 10474 1 17 . 1 1 99 99 LYS CB C 99 32.172 32.172 31.645 0.527 25638 10475 1 17 . 1 1 99 99 LYS H H 99 7.359 7.359 7.896 -0.537 25638 10476 1 17 . 1 1 100 100 LYS N N 100 118.333 118.333 119.773 -1.440 25638 10477 1 17 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.087 0.056 25638 10478 1 17 . 1 1 100 100 LYS C C 100 179.111 179.111 178.223 0.888 25638 10479 1 17 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.659 -1.447 25638 10480 1 17 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.618 -0.876 25638 10481 1 17 . 1 1 100 100 LYS H H 100 7.937 7.937 7.824 0.113 25638 10482 1 17 . 1 1 101 101 ARG N N 101 121.125 121.125 117.598 3.527 25638 10483 1 17 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.215 -0.086 25638 10484 1 17 . 1 1 101 101 ARG C C 101 178.541 178.541 177.082 1.459 25638 10485 1 17 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.387 1.779 25638 10486 1 17 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.153 0.438 25638 10487 1 17 . 1 1 101 101 ARG H H 101 7.895 7.895 7.646 0.249 25638 10488 1 17 . 1 1 102 102 GLN N N 102 119.756 119.756 115.595 4.161 25638 10489 1 17 . 1 1 102 102 GLN HA H 102 4.207 4.207 3.907 0.300 25638 10490 1 17 . 1 1 102 102 GLN C C 102 178.129 178.129 174.238 3.891 25638 10491 1 17 . 1 1 102 102 GLN CA C 102 56.912 56.912 57.673 -0.761 25638 10492 1 17 . 1 1 102 102 GLN CB C 102 28.921 28.921 28.001 0.920 25638 10493 1 17 . 1 1 102 102 GLN H H 102 8.167 8.167 7.863 0.304 25638 10494 1 17 . 1 1 103 103 GLU N N 103 120.553 120.553 117.876 2.677 25638 10495 1 17 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.579 -0.379 25638 10496 1 17 . 1 1 103 103 GLU C C 103 178.286 178.286 174.977 3.309 25638 10497 1 17 . 1 1 103 103 GLU CA C 103 57.505 57.505 55.488 2.017 25638 10498 1 17 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.543 0.381 25638 10499 1 17 . 1 1 103 103 GLU H H 103 8.189 8.189 8.239 -0.050 25638 10500 1 17 . 1 1 104 104 SER N N 104 115.381 115.381 118.923 -3.542 25638 10501 1 17 . 1 1 104 104 SER HA H 104 4.431 4.431 4.506 -0.075 25638 10502 1 17 . 1 1 104 104 SER C C 104 175.750 175.750 174.740 1.010 25638 10503 1 17 . 1 1 104 104 SER CA C 104 59.154 59.154 58.630 0.524 25638 10504 1 17 . 1 1 104 104 SER CB C 104 63.456 63.456 64.139 -0.683 25638 10505 1 17 . 1 1 104 104 SER H H 104 8.099 8.099 8.254 -0.155 25638 10506 1 17 . 1 1 105 105 GLN N N 105 121.635 121.635 119.236 2.399 25638 10507 1 17 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.080 0.255 25638 10508 1 17 . 1 1 105 105 GLN C C 105 177.008 177.008 174.874 2.134 25638 10509 1 17 . 1 1 105 105 GLN CA C 105 56.053 56.053 57.712 -1.659 25638 10510 1 17 . 1 1 105 105 GLN CB C 105 29.128 29.128 28.064 1.064 25638 10511 1 17 . 1 1 105 105 GLN H H 105 8.170 8.170 8.531 -0.361 25638 10512 1 17 . 1 1 106 106 GLN N N 106 120.850 120.850 115.527 5.323 25638 10513 1 17 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.446 -0.115 25638 10514 1 17 . 1 1 106 106 GLN C C 106 176.713 176.713 174.232 2.481 25638 10515 1 17 . 1 1 106 106 GLN CA C 106 55.951 55.951 54.594 1.357 25638 10516 1 17 . 1 1 106 106 GLN CB C 106 29.254 29.254 31.432 -2.178 25638 10517 1 17 . 1 1 106 106 GLN H H 106 8.281 8.281 7.436 0.845 25638 10518 1 17 . 1 1 107 107 ASN N N 107 120.271 120.271 117.522 2.749 25638 10519 1 17 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.849 -0.059 25638 10520 1 17 . 1 1 107 107 ASN C C 107 175.337 175.337 175.785 -0.448 25638 10521 1 17 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.763 -0.410 25638 10522 1 17 . 1 1 107 107 ASN CB C 107 39.094 39.094 39.186 -0.092 25638 10523 1 17 . 1 1 107 107 ASN H H 107 8.434 8.434 8.471 -0.037 25638 10524 1 18 . 1 1 2 2 PRO HA H 2 4.445 4.445 5.012 -0.567 25638 10525 1 18 . 1 1 2 2 PRO C C 2 178.089 178.089 176.306 1.783 25638 10526 1 18 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.556 0.750 25638 10527 1 18 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.755 -0.287 25638 10528 1 18 . 1 1 3 3 LEU N N 3 122.239 122.239 118.301 3.938 25638 10529 1 18 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.751 -0.454 25638 10530 1 18 . 1 1 3 3 LEU C C 3 178.876 178.876 176.524 2.352 25638 10531 1 18 . 1 1 3 3 LEU CA C 3 55.529 55.529 53.712 1.817 25638 10532 1 18 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.967 -0.817 25638 10533 1 18 . 1 1 3 3 LEU H H 3 8.522 8.522 8.099 0.423 25638 10534 1 18 . 1 1 4 4 GLY N N 4 109.572 109.572 108.335 1.237 25638 10535 1 18 . 1 1 4 4 GLY C C 4 174.630 174.630 173.855 0.775 25638 10536 1 18 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.760 0.573 25638 10537 1 18 . 1 1 4 4 GLY H H 4 8.349 8.349 8.243 0.106 25638 10538 1 18 . 1 1 5 5 SER N N 5 115.481 115.481 115.511 -0.030 25638 10539 1 18 . 1 1 5 5 SER HA H 5 4.513 4.513 4.584 -0.071 25638 10540 1 18 . 1 1 5 5 SER C C 5 174.667 174.667 174.659 0.008 25638 10541 1 18 . 1 1 5 5 SER CA C 5 57.801 57.801 58.083 -0.282 25638 10542 1 18 . 1 1 5 5 SER CB C 5 64.536 64.536 63.994 0.542 25638 10543 1 18 . 1 1 5 5 SER H H 5 8.119 8.119 8.244 -0.125 25638 10544 1 18 . 1 1 6 6 LEU N N 6 121.895 121.895 123.667 -1.772 25638 10545 1 18 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.271 0.383 25638 10546 1 18 . 1 1 6 6 LEU C C 6 177.932 177.932 176.599 1.333 25638 10547 1 18 . 1 1 6 6 LEU CA C 6 53.922 53.922 55.081 -1.159 25638 10548 1 18 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.275 2.331 25638 10549 1 18 . 1 1 6 6 LEU H H 6 8.319 8.319 8.103 0.216 25638 10550 1 18 . 1 1 7 7 ASP N N 7 121.978 121.978 122.777 -0.799 25638 10551 1 18 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.570 0.036 25638 10552 1 18 . 1 1 7 7 ASP C C 7 176.477 176.477 176.750 -0.273 25638 10553 1 18 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.164 -0.946 25638 10554 1 18 . 1 1 7 7 ASP CB C 7 40.958 40.958 41.818 -0.860 25638 10555 1 18 . 1 1 7 7 ASP H H 7 8.318 8.318 8.206 0.112 25638 10556 1 18 . 1 1 8 8 GLN N N 8 119.885 119.885 120.899 -1.014 25638 10557 1 18 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.090 -0.004 25638 10558 1 18 . 1 1 8 8 GLN C C 8 179.710 179.710 178.007 1.703 25638 10559 1 18 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.864 -0.039 25638 10560 1 18 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.756 -0.272 25638 10561 1 18 . 1 1 8 8 GLN H H 8 8.746 8.746 8.712 0.034 25638 10562 1 18 . 1 1 9 9 LYS N N 9 120.863 120.863 120.247 0.616 25638 10563 1 18 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.154 0.043 25638 10564 1 18 . 1 1 9 9 LYS C C 9 180.333 180.333 179.188 1.145 25638 10565 1 18 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.547 -0.173 25638 10566 1 18 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.424 0.533 25638 10567 1 18 . 1 1 9 9 LYS H H 9 8.454 8.454 8.676 -0.222 25638 10568 1 18 . 1 1 10 10 THR N N 10 118.654 118.654 115.821 2.833 25638 10569 1 18 . 1 1 10 10 THR HA H 10 3.985 3.985 4.197 -0.212 25638 10570 1 18 . 1 1 10 10 THR C C 10 177.904 177.904 176.600 1.304 25638 10571 1 18 . 1 1 10 10 THR CA C 10 67.618 67.618 67.369 0.249 25638 10572 1 18 . 1 1 10 10 THR CB C 10 67.523 67.523 68.482 -0.959 25638 10573 1 18 . 1 1 10 10 THR H H 10 8.531 8.531 8.156 0.375 25638 10574 1 18 . 1 1 11 11 PHE N N 11 123.876 123.876 122.594 1.282 25638 10575 1 18 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.244 -0.250 25638 10576 1 18 . 1 1 11 11 PHE C C 11 177.676 177.676 176.879 0.797 25638 10577 1 18 . 1 1 11 11 PHE CA C 11 63.219 63.219 60.950 2.269 25638 10578 1 18 . 1 1 11 11 PHE CB C 11 39.346 39.346 39.106 0.240 25638 10579 1 18 . 1 1 11 11 PHE H H 11 9.296 9.296 8.607 0.689 25638 10580 1 18 . 1 1 12 12 SER N N 12 114.219 114.219 116.748 -2.529 25638 10581 1 18 . 1 1 12 12 SER HA H 12 4.151 4.151 3.945 0.206 25638 10582 1 18 . 1 1 12 12 SER C C 12 177.922 177.922 176.882 1.040 25638 10583 1 18 . 1 1 12 12 SER CA C 12 62.899 62.899 62.247 0.652 25638 10584 1 18 . 1 1 12 12 SER CB C 12 63.194 63.194 63.136 0.058 25638 10585 1 18 . 1 1 12 12 SER H H 12 8.306 8.306 8.383 -0.077 25638 10586 1 18 . 1 1 13 13 ILE N N 13 123.613 123.613 122.336 1.277 25638 10587 1 18 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.615 0.222 25638 10588 1 18 . 1 1 13 13 ILE C C 13 179.563 179.563 177.642 1.921 25638 10589 1 18 . 1 1 13 13 ILE CA C 13 65.100 65.100 65.169 -0.069 25638 10590 1 18 . 1 1 13 13 ILE CB C 13 38.310 38.310 37.934 0.376 25638 10591 1 18 . 1 1 13 13 ILE H H 13 7.897 7.897 8.247 -0.350 25638 10592 1 18 . 1 1 14 14 CYS N N 14 118.125 118.125 118.770 -0.645 25638 10593 1 18 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.581 -0.030 25638 10594 1 18 . 1 1 14 14 CYS C C 14 176.010 176.010 175.938 0.072 25638 10595 1 18 . 1 1 14 14 CYS CA C 14 64.572 64.572 63.898 0.674 25638 10596 1 18 . 1 1 14 14 CYS CB C 14 26.721 26.721 26.058 0.663 25638 10597 1 18 . 1 1 14 14 CYS H H 14 8.329 8.329 8.058 0.271 25638 10598 1 18 . 1 1 15 15 LYS N N 15 118.532 118.532 118.748 -0.216 25638 10599 1 18 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.890 -0.741 25638 10600 1 18 . 1 1 15 15 LYS C C 15 179.846 179.846 178.102 1.744 25638 10601 1 18 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.422 0.310 25638 10602 1 18 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.929 0.163 25638 10603 1 18 . 1 1 15 15 LYS H H 15 8.025 8.025 7.594 0.431 25638 10604 1 18 . 1 1 16 16 GLU N N 16 118.138 118.138 117.020 1.118 25638 10605 1 18 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.056 -0.029 25638 10606 1 18 . 1 1 16 16 GLU C C 16 180.959 180.959 178.718 2.241 25638 10607 1 18 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.189 0.953 25638 10608 1 18 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.735 -0.622 25638 10609 1 18 . 1 1 16 16 GLU H H 16 7.403 7.403 7.506 -0.103 25638 10610 1 18 . 1 1 17 17 ARG N N 17 117.969 117.969 119.346 -1.377 25638 10611 1 18 . 1 1 17 17 ARG HA H 17 4.063 4.063 3.965 0.098 25638 10612 1 18 . 1 1 17 17 ARG C C 17 179.544 179.544 178.511 1.033 25638 10613 1 18 . 1 1 17 17 ARG CA C 17 58.155 58.155 58.282 -0.128 25638 10614 1 18 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.281 -0.314 25638 10615 1 18 . 1 1 17 17 ARG H H 17 8.325 8.325 7.878 0.447 25638 10616 1 18 . 1 1 18 18 MET N N 18 113.332 113.332 118.814 -5.482 25638 10617 1 18 . 1 1 18 18 MET HA H 18 4.561 4.561 4.377 0.184 25638 10618 1 18 . 1 1 18 18 MET C C 18 176.890 176.890 175.423 1.467 25638 10619 1 18 . 1 1 18 18 MET CA C 18 53.377 53.377 54.672 -1.295 25638 10620 1 18 . 1 1 18 18 MET CB C 18 29.724 29.724 30.689 -0.965 25638 10621 1 18 . 1 1 18 18 MET H H 18 7.718 7.718 7.809 -0.091 25638 10622 1 18 . 1 1 19 19 ARG N N 19 123.288 123.288 121.268 2.020 25638 10623 1 18 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.272 -0.121 25638 10624 1 18 . 1 1 19 19 ARG C C 19 176.556 176.556 176.176 0.380 25638 10625 1 18 . 1 1 19 19 ARG CA C 19 61.133 61.133 60.709 0.424 25638 10626 1 18 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.644 -0.386 25638 10627 1 18 . 1 1 19 19 ARG H H 19 7.152 7.152 7.708 -0.556 25638 10628 1 18 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.264 0.079 25638 10629 1 18 . 1 1 20 20 PRO CA C 20 65.997 65.997 64.496 1.501 25638 10630 1 18 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.262 0.578 25638 10631 1 18 . 1 1 21 21 VAL N N 21 105.802 105.802 109.619 -3.817 25638 10632 1 18 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.423 0.398 25638 10633 1 18 . 1 1 21 21 VAL C C 21 176.261 176.261 175.811 0.450 25638 10634 1 18 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.304 -1.201 25638 10635 1 18 . 1 1 21 21 VAL CB C 21 30.856 30.856 31.477 -0.621 25638 10636 1 18 . 1 1 21 21 VAL H H 21 7.352 7.352 7.454 -0.102 25638 10637 1 18 . 1 1 22 22 LYS N N 22 122.802 122.802 123.233 -0.431 25638 10638 1 18 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.909 -0.145 25638 10639 1 18 . 1 1 22 22 LYS C C 22 178.758 178.758 178.114 0.644 25638 10640 1 18 . 1 1 22 22 LYS CA C 22 60.332 60.332 59.904 0.428 25638 10641 1 18 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.252 -0.038 25638 10642 1 18 . 1 1 22 22 LYS H H 22 7.640 7.640 7.521 0.119 25638 10643 1 18 . 1 1 23 23 ALA N N 23 120.067 120.067 121.259 -1.192 25638 10644 1 18 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.079 -0.004 25638 10645 1 18 . 1 1 23 23 ALA C C 23 180.998 180.998 179.313 1.685 25638 10646 1 18 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.193 -0.034 25638 10647 1 18 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.955 -0.041 25638 10648 1 18 . 1 1 23 23 ALA H H 23 8.571 8.571 8.504 0.067 25638 10649 1 18 . 1 1 24 24 ALA N N 24 121.068 121.068 120.558 0.510 25638 10650 1 18 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.052 0.110 25638 10651 1 18 . 1 1 24 24 ALA C C 24 180.271 180.271 179.675 0.596 25638 10652 1 18 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.524 0.232 25638 10653 1 18 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.211 -0.018 25638 10654 1 18 . 1 1 24 24 ALA H H 24 7.320 7.320 7.961 -0.641 25638 10655 1 18 . 1 1 25 25 LEU N N 25 117.214 117.214 119.227 -2.013 25638 10656 1 18 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.871 -0.160 25638 10657 1 18 . 1 1 25 25 LEU C C 25 179.524 179.524 179.043 0.481 25638 10658 1 18 . 1 1 25 25 LEU CA C 25 57.951 57.951 57.887 0.064 25638 10659 1 18 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.845 -1.215 25638 10660 1 18 . 1 1 25 25 LEU H H 25 7.698 7.698 8.400 -0.702 25638 10661 1 18 . 1 1 26 26 LYS N N 26 116.336 116.336 117.021 -0.685 25638 10662 1 18 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.129 0.034 25638 10663 1 18 . 1 1 26 26 LYS C C 26 179.308 179.308 179.075 0.233 25638 10664 1 18 . 1 1 26 26 LYS CA C 26 58.414 58.414 58.776 -0.362 25638 10665 1 18 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.498 -0.333 25638 10666 1 18 . 1 1 26 26 LYS H H 26 7.675 7.675 7.847 -0.172 25638 10667 1 18 . 1 1 27 27 GLN N N 27 116.118 116.118 119.415 -3.297 25638 10668 1 18 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.119 0.156 25638 10669 1 18 . 1 1 27 27 GLN C C 27 178.679 178.679 177.824 0.855 25638 10670 1 18 . 1 1 27 27 GLN CA C 27 56.807 56.807 57.927 -1.120 25638 10671 1 18 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.401 1.619 25638 10672 1 18 . 1 1 27 27 GLN H H 27 7.520 7.520 8.243 -0.723 25638 10673 1 18 . 1 1 28 28 LEU N N 28 121.335 121.335 118.390 2.945 25638 10674 1 18 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.324 -0.171 25638 10675 1 18 . 1 1 28 28 LEU C C 28 178.168 178.168 178.523 -0.355 25638 10676 1 18 . 1 1 28 28 LEU CA C 28 58.042 58.042 56.530 1.512 25638 10677 1 18 . 1 1 28 28 LEU CB C 28 41.911 41.911 41.286 0.625 25638 10678 1 18 . 1 1 28 28 LEU H H 28 7.506 7.506 7.678 -0.172 25638 10679 1 18 . 1 1 29 29 ASP N N 29 117.486 117.486 120.236 -2.750 25638 10680 1 18 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.562 0.352 25638 10681 1 18 . 1 1 29 29 ASP C C 29 176.772 176.772 176.690 0.082 25638 10682 1 18 . 1 1 29 29 ASP CA C 29 54.126 54.126 57.150 -3.024 25638 10683 1 18 . 1 1 29 29 ASP CB C 29 42.715 42.715 41.678 1.037 25638 10684 1 18 . 1 1 29 29 ASP H H 29 8.120 8.120 7.596 0.524 25638 10685 1 18 . 1 1 30 30 ARG N N 30 119.107 119.107 116.110 2.997 25638 10686 1 18 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.693 0.068 25638 10687 1 18 . 1 1 30 30 ARG C C 30 173.824 173.824 173.383 0.441 25638 10688 1 18 . 1 1 30 30 ARG CA C 30 53.231 53.231 54.075 -0.844 25638 10689 1 18 . 1 1 30 30 ARG CB C 30 31.311 31.311 32.973 -1.662 25638 10690 1 18 . 1 1 30 30 ARG H H 30 7.701 7.701 7.494 0.207 25638 10691 1 18 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.572 -0.306 25638 10692 1 18 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.661 0.284 25638 10693 1 18 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.216 -0.202 25638 10694 1 18 . 1 1 32 32 GLU N N 32 122.391 122.391 121.296 1.095 25638 10695 1 18 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.240 -0.052 25638 10696 1 18 . 1 1 32 32 GLU C C 32 177.401 177.401 176.416 0.985 25638 10697 1 18 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.757 -0.368 25638 10698 1 18 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.399 -0.211 25638 10699 1 18 . 1 1 32 32 GLU H H 32 8.454 8.454 8.285 0.169 25638 10700 1 18 . 1 1 33 33 LYS N N 33 123.127 123.127 118.550 4.577 25638 10701 1 18 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.500 -0.324 25638 10702 1 18 . 1 1 33 33 LYS C C 33 178.482 178.482 176.551 1.931 25638 10703 1 18 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.241 0.886 25638 10704 1 18 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.738 -1.098 25638 10705 1 18 . 1 1 33 33 LYS H H 33 8.338 8.338 8.296 0.042 25638 10706 1 18 . 1 1 34 34 GLY N N 34 109.507 109.507 109.068 0.439 25638 10707 1 18 . 1 1 34 34 GLY C C 34 175.475 175.475 174.160 1.315 25638 10708 1 18 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.426 -0.108 25638 10709 1 18 . 1 1 34 34 GLY H H 34 8.643 8.643 8.145 0.498 25638 10710 1 18 . 1 1 35 35 LEU N N 35 120.392 120.392 119.097 1.295 25638 10711 1 18 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.826 -0.311 25638 10712 1 18 . 1 1 35 35 LEU C C 35 178.797 178.797 176.022 2.775 25638 10713 1 18 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.640 0.809 25638 10714 1 18 . 1 1 35 35 LEU CB C 35 43.116 43.116 44.741 -1.625 25638 10715 1 18 . 1 1 35 35 LEU H H 35 7.480 7.480 7.527 -0.047 25638 10716 1 18 . 1 1 36 36 SER N N 36 118.629 118.629 114.439 4.190 25638 10717 1 18 . 1 1 36 36 SER HA H 36 4.471 4.471 4.762 -0.291 25638 10718 1 18 . 1 1 36 36 SER C C 36 175.632 175.632 175.210 0.422 25638 10719 1 18 . 1 1 36 36 SER CA C 36 57.814 57.814 56.963 0.851 25638 10720 1 18 . 1 1 36 36 SER CB C 36 64.678 64.678 65.008 -0.330 25638 10721 1 18 . 1 1 36 36 SER H H 36 8.838 8.838 8.212 0.626 25638 10722 1 18 . 1 1 37 37 GLU N N 37 122.722 122.722 122.071 0.651 25638 10723 1 18 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.032 -0.018 25638 10724 1 18 . 1 1 37 37 GLU C C 37 179.976 179.976 178.693 1.283 25638 10725 1 18 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.606 0.972 25638 10726 1 18 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.688 -0.339 25638 10727 1 18 . 1 1 37 37 GLU H H 37 9.018 9.018 9.031 -0.013 25638 10728 1 18 . 1 1 38 38 ARG N N 38 118.418 118.418 117.553 0.865 25638 10729 1 18 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.360 -0.247 25638 10730 1 18 . 1 1 38 38 ARG C C 38 180.212 180.212 177.975 2.237 25638 10731 1 18 . 1 1 38 38 ARG CA C 38 59.448 59.448 57.330 2.118 25638 10732 1 18 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.145 -0.338 25638 10733 1 18 . 1 1 38 38 ARG H H 38 8.509 8.509 8.300 0.209 25638 10734 1 18 . 1 1 39 39 GLU N N 39 119.730 119.730 121.317 -1.587 25638 10735 1 18 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.054 0.036 25638 10736 1 18 . 1 1 39 39 GLU C C 39 180.529 180.529 178.961 1.568 25638 10737 1 18 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.152 -0.259 25638 10738 1 18 . 1 1 39 39 GLU CB C 39 30.557 30.557 29.030 1.527 25638 10739 1 18 . 1 1 39 39 GLU H H 39 7.761 7.761 7.706 0.055 25638 10740 1 18 . 1 1 40 40 GLN N N 40 121.665 121.665 118.339 3.326 25638 10741 1 18 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.109 -0.065 25638 10742 1 18 . 1 1 40 40 GLN C C 40 179.760 179.760 178.398 1.362 25638 10743 1 18 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.816 0.554 25638 10744 1 18 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.292 0.196 25638 10745 1 18 . 1 1 40 40 GLN H H 40 8.871 8.871 7.958 0.913 25638 10746 1 18 . 1 1 41 41 LEU N N 41 121.002 121.002 120.397 0.605 25638 10747 1 18 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.055 0.172 25638 10748 1 18 . 1 1 41 41 LEU C C 41 180.841 180.841 179.757 1.084 25638 10749 1 18 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.557 -0.267 25638 10750 1 18 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.646 -0.045 25638 10751 1 18 . 1 1 41 41 LEU H H 41 8.140 8.140 7.934 0.206 25638 10752 1 18 . 1 1 42 42 GLU N N 42 119.818 119.818 118.710 1.108 25638 10753 1 18 . 1 1 42 42 GLU HA H 42 4.234 4.234 4.064 0.170 25638 10754 1 18 . 1 1 42 42 GLU C C 42 179.603 179.603 179.078 0.525 25638 10755 1 18 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.177 -0.267 25638 10756 1 18 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.366 -0.399 25638 10757 1 18 . 1 1 42 42 GLU H H 42 7.894 7.894 7.788 0.106 25638 10758 1 18 . 1 1 43 43 HIS N N 43 119.964 119.964 120.296 -0.332 25638 10759 1 18 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.238 0.183 25638 10760 1 18 . 1 1 43 43 HIS C C 43 179.140 179.140 177.500 1.640 25638 10761 1 18 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.309 -0.497 25638 10762 1 18 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.189 -0.745 25638 10763 1 18 . 1 1 43 43 HIS H H 43 8.437 8.437 8.767 -0.330 25638 10764 1 18 . 1 1 44 44 THR N N 44 117.768 117.768 116.296 1.472 25638 10765 1 18 . 1 1 44 44 THR HA H 44 3.884 3.884 4.085 -0.201 25638 10766 1 18 . 1 1 44 44 THR C C 44 179.008 179.008 176.726 2.282 25638 10767 1 18 . 1 1 44 44 THR CA C 44 67.603 67.603 67.532 0.071 25638 10768 1 18 . 1 1 44 44 THR CB C 44 68.981 68.981 68.486 0.495 25638 10769 1 18 . 1 1 44 44 THR H H 44 8.589 8.589 8.544 0.045 25638 10770 1 18 . 1 1 45 45 ARG N N 45 121.750 121.750 121.456 0.294 25638 10771 1 18 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.170 -0.291 25638 10772 1 18 . 1 1 45 45 ARG C C 45 178.817 178.817 178.862 -0.045 25638 10773 1 18 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.528 1.331 25638 10774 1 18 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.639 1.077 25638 10775 1 18 . 1 1 45 45 ARG H H 45 8.255 8.255 7.804 0.451 25638 10776 1 18 . 1 1 46 46 GLN N N 46 116.576 116.576 119.402 -2.826 25638 10777 1 18 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.097 -0.073 25638 10778 1 18 . 1 1 46 46 GLN C C 46 181.018 181.018 178.664 2.354 25638 10779 1 18 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.894 0.681 25638 10780 1 18 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.307 -0.552 25638 10781 1 18 . 1 1 46 46 GLN H H 46 8.328 8.328 8.330 -0.002 25638 10782 1 18 . 1 1 47 47 CYS N N 47 118.569 118.569 119.221 -0.652 25638 10783 1 18 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.212 -0.129 25638 10784 1 18 . 1 1 47 47 CYS C C 47 177.244 177.244 177.271 -0.027 25638 10785 1 18 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.697 0.407 25638 10786 1 18 . 1 1 47 47 CYS CB C 47 27.063 27.063 26.879 0.184 25638 10787 1 18 . 1 1 47 47 CYS H H 47 8.029 8.029 8.408 -0.379 25638 10788 1 18 . 1 1 48 48 LEU N N 48 119.873 119.873 121.780 -1.907 25638 10789 1 18 . 1 1 48 48 LEU HA H 48 4.069 4.069 3.995 0.074 25638 10790 1 18 . 1 1 48 48 LEU C C 48 179.839 179.839 179.140 0.699 25638 10791 1 18 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.752 -0.439 25638 10792 1 18 . 1 1 48 48 LEU CB C 48 42.225 42.225 42.125 0.100 25638 10793 1 18 . 1 1 48 48 LEU H H 48 8.539 8.539 8.526 0.013 25638 10794 1 18 . 1 1 49 49 ILE N N 49 119.523 119.523 116.321 3.202 25638 10795 1 18 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.060 -0.090 25638 10796 1 18 . 1 1 49 49 ILE C C 49 178.188 178.188 177.852 0.336 25638 10797 1 18 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.383 0.828 25638 10798 1 18 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.600 0.395 25638 10799 1 18 . 1 1 49 49 ILE H H 49 8.516 8.516 8.257 0.259 25638 10800 1 18 . 1 1 50 50 LYS N N 50 118.622 118.622 120.586 -1.964 25638 10801 1 18 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.181 0.012 25638 10802 1 18 . 1 1 50 50 LYS C C 50 181.391 181.391 179.555 1.836 25638 10803 1 18 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.978 -0.431 25638 10804 1 18 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.290 0.300 25638 10805 1 18 . 1 1 50 50 LYS H H 50 7.522 7.522 7.971 -0.449 25638 10806 1 18 . 1 1 51 51 ILE N N 51 119.288 119.288 120.564 -1.276 25638 10807 1 18 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.574 -0.125 25638 10808 1 18 . 1 1 51 51 ILE C C 51 178.384 178.384 177.657 0.727 25638 10809 1 18 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.790 -0.023 25638 10810 1 18 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.882 1.098 25638 10811 1 18 . 1 1 51 51 ILE H H 51 8.107 8.107 8.595 -0.488 25638 10812 1 18 . 1 1 52 52 GLY N N 52 108.211 108.211 106.847 1.364 25638 10813 1 18 . 1 1 52 52 GLY C C 52 178.168 178.168 175.605 2.563 25638 10814 1 18 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.696 0.368 25638 10815 1 18 . 1 1 52 52 GLY H H 52 9.224 9.224 8.163 1.061 25638 10816 1 18 . 1 1 53 53 ASP N N 53 124.013 124.013 123.612 0.401 25638 10817 1 18 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.487 0.047 25638 10818 1 18 . 1 1 53 53 ASP C C 53 179.976 179.976 178.558 1.418 25638 10819 1 18 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.605 0.023 25638 10820 1 18 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.568 -1.286 25638 10821 1 18 . 1 1 53 53 ASP H H 53 9.091 9.091 8.491 0.600 25638 10822 1 18 . 1 1 54 54 HIS N N 54 121.598 121.598 119.731 1.867 25638 10823 1 18 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.541 -0.135 25638 10824 1 18 . 1 1 54 54 HIS C C 54 178.982 178.982 178.112 0.870 25638 10825 1 18 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.530 0.930 25638 10826 1 18 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.719 1.848 25638 10827 1 18 . 1 1 54 54 HIS H H 54 7.664 7.664 8.060 -0.396 25638 10828 1 18 . 1 1 55 55 ILE N N 55 121.892 121.892 120.849 1.043 25638 10829 1 18 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.468 -0.284 25638 10830 1 18 . 1 1 55 55 ILE C C 55 178.188 178.188 177.525 0.663 25638 10831 1 18 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.574 2.103 25638 10832 1 18 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.391 -0.147 25638 10833 1 18 . 1 1 55 55 ILE H H 55 8.255 8.255 8.399 -0.144 25638 10834 1 18 . 1 1 56 56 THR N N 56 115.458 115.458 116.346 -0.888 25638 10835 1 18 . 1 1 56 56 THR HA H 56 3.759 3.759 3.864 -0.105 25638 10836 1 18 . 1 1 56 56 THR C C 56 180.195 180.195 176.691 3.504 25638 10837 1 18 . 1 1 56 56 THR CA C 56 67.551 67.551 67.212 0.339 25638 10838 1 18 . 1 1 56 56 THR CB C 56 68.756 68.756 68.317 0.439 25638 10839 1 18 . 1 1 56 56 THR H H 56 8.047 8.047 7.788 0.259 25638 10840 1 18 . 1 1 57 57 GLU N N 57 121.544 121.544 120.820 0.724 25638 10841 1 18 . 1 1 57 57 GLU HA H 57 3.954 3.954 3.936 0.018 25638 10842 1 18 . 1 1 57 57 GLU C C 57 180.979 180.979 178.145 2.834 25638 10843 1 18 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.097 0.282 25638 10844 1 18 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.504 -0.764 25638 10845 1 18 . 1 1 57 57 GLU H H 57 7.591 7.591 8.105 -0.514 25638 10846 1 18 . 1 1 58 58 CYS N N 58 118.970 118.970 116.564 2.406 25638 10847 1 18 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.045 -0.105 25638 10848 1 18 . 1 1 58 58 CYS C C 58 178.089 178.089 177.368 0.721 25638 10849 1 18 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.173 1.049 25638 10850 1 18 . 1 1 58 58 CYS CB C 58 26.562 26.562 27.447 -0.885 25638 10851 1 18 . 1 1 58 58 CYS H H 58 8.206 8.206 7.463 0.743 25638 10852 1 18 . 1 1 59 59 LEU N N 59 116.873 116.873 121.369 -4.496 25638 10853 1 18 . 1 1 59 59 LEU HA H 59 4.251 4.251 3.981 0.270 25638 10854 1 18 . 1 1 59 59 LEU C C 59 179.033 179.033 178.537 0.496 25638 10855 1 18 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.747 -1.708 25638 10856 1 18 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.745 -0.709 25638 10857 1 18 . 1 1 59 59 LEU H H 59 7.726 7.726 8.171 -0.445 25638 10858 1 18 . 1 1 60 60 LYS N N 60 117.911 117.911 116.410 1.501 25638 10859 1 18 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.075 0.056 25638 10860 1 18 . 1 1 60 60 LYS C C 60 177.912 177.912 177.068 0.844 25638 10861 1 18 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.134 0.403 25638 10862 1 18 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.672 0.718 25638 10863 1 18 . 1 1 60 60 LYS H H 60 7.298 7.298 7.679 -0.381 25638 10864 1 18 . 1 1 61 61 GLU N N 61 115.507 115.507 118.380 -2.873 25638 10865 1 18 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.924 -0.035 25638 10866 1 18 . 1 1 61 61 GLU C C 61 176.576 176.576 176.956 -0.380 25638 10867 1 18 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.809 -0.758 25638 10868 1 18 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.681 0.053 25638 10869 1 18 . 1 1 61 61 GLU H H 61 7.084 7.084 7.362 -0.278 25638 10870 1 18 . 1 1 62 62 TYR N N 62 118.581 118.581 118.168 0.413 25638 10871 1 18 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.594 0.112 25638 10872 1 18 . 1 1 62 62 TYR C C 62 175.935 175.935 176.920 -0.985 25638 10873 1 18 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.511 -0.364 25638 10874 1 18 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.393 1.992 25638 10875 1 18 . 1 1 62 62 TYR H H 62 7.387 7.387 7.288 0.099 25638 10876 1 18 . 1 1 63 63 THR N N 63 109.064 109.064 117.857 -8.793 25638 10877 1 18 . 1 1 63 63 THR HA H 63 4.507 4.507 4.125 0.382 25638 10878 1 18 . 1 1 63 63 THR C C 63 175.888 175.888 175.213 0.675 25638 10879 1 18 . 1 1 63 63 THR CA C 63 61.684 61.684 63.761 -2.077 25638 10880 1 18 . 1 1 63 63 THR CB C 63 70.092 70.092 69.290 0.802 25638 10881 1 18 . 1 1 63 63 THR H H 63 8.471 8.471 8.476 -0.005 25638 10882 1 18 . 1 1 64 64 ASN N N 64 123.204 123.204 120.633 2.571 25638 10883 1 18 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.830 0.341 25638 10884 1 18 . 1 1 64 64 ASN C C 64 175.495 175.495 175.236 0.259 25638 10885 1 18 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.365 -1.228 25638 10886 1 18 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.804 0.875 25638 10887 1 18 . 1 1 64 64 ASN H H 64 7.993 7.993 8.436 -0.443 25638 10888 1 18 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.396 -0.126 25638 10889 1 18 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.542 0.150 25638 10890 1 18 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.127 0.272 25638 10891 1 18 . 1 1 66 66 GLU N N 66 118.060 118.060 120.074 -2.014 25638 10892 1 18 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.087 0.045 25638 10893 1 18 . 1 1 66 66 GLU C C 66 180.409 180.409 179.018 1.391 25638 10894 1 18 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.770 -0.396 25638 10895 1 18 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.077 0.726 25638 10896 1 18 . 1 1 66 66 GLU H H 66 8.297 8.297 8.834 -0.537 25638 10897 1 18 . 1 1 67 67 GLN N N 67 120.531 120.531 118.708 1.823 25638 10898 1 18 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.984 0.183 25638 10899 1 18 . 1 1 67 67 GLN C C 67 179.072 179.072 178.701 0.371 25638 10900 1 18 . 1 1 67 67 GLN CA C 67 58.828 58.828 58.968 -0.140 25638 10901 1 18 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.381 0.862 25638 10902 1 18 . 1 1 67 67 GLN H H 67 7.738 7.738 8.106 -0.368 25638 10903 1 18 . 1 1 68 68 ILE N N 68 119.632 119.632 117.623 2.009 25638 10904 1 18 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.932 -0.384 25638 10905 1 18 . 1 1 68 68 ILE C C 68 178.109 178.109 177.815 0.294 25638 10906 1 18 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.121 1.476 25638 10907 1 18 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.494 1.445 25638 10908 1 18 . 1 1 68 68 ILE H H 68 7.956 7.956 8.205 -0.249 25638 10909 1 18 . 1 1 69 69 LYS N N 69 117.236 117.236 120.197 -2.961 25638 10910 1 18 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.915 0.014 25638 10911 1 18 . 1 1 69 69 LYS C C 69 180.271 180.271 178.762 1.509 25638 10912 1 18 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.735 0.186 25638 10913 1 18 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.124 0.483 25638 10914 1 18 . 1 1 69 69 LYS H H 69 7.665 7.665 7.954 -0.289 25638 10915 1 18 . 1 1 70 70 GLN N N 70 118.748 118.748 119.588 -0.840 25638 10916 1 18 . 1 1 70 70 GLN HA H 70 3.855 3.855 3.948 -0.093 25638 10917 1 18 . 1 1 70 70 GLN C C 70 179.131 179.131 178.307 0.824 25638 10918 1 18 . 1 1 70 70 GLN CA C 70 58.252 58.252 59.205 -0.952 25638 10919 1 18 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.614 0.062 25638 10920 1 18 . 1 1 70 70 GLN H H 70 7.787 7.787 8.069 -0.282 25638 10921 1 18 . 1 1 71 71 TRP N N 71 118.896 118.896 119.131 -0.235 25638 10922 1 18 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.332 -0.289 25638 10923 1 18 . 1 1 71 71 TRP C C 71 178.679 178.679 178.912 -0.233 25638 10924 1 18 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.242 1.707 25638 10925 1 18 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.405 -1.161 25638 10926 1 18 . 1 1 71 71 TRP H H 71 8.374 8.374 8.645 -0.271 25638 10927 1 18 . 1 1 72 72 ARG N N 72 122.698 122.698 119.431 3.267 25638 10928 1 18 . 1 1 72 72 ARG HA H 72 3.819 3.819 4.032 -0.213 25638 10929 1 18 . 1 1 72 72 ARG C C 72 178.561 178.561 178.697 -0.136 25638 10930 1 18 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.793 1.239 25638 10931 1 18 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.119 0.150 25638 10932 1 18 . 1 1 72 72 ARG H H 72 8.808 8.808 8.457 0.351 25638 10933 1 18 . 1 1 73 73 LYS N N 73 116.946 116.946 118.974 -2.028 25638 10934 1 18 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.276 -0.096 25638 10935 1 18 . 1 1 73 73 LYS C C 73 179.622 179.622 179.059 0.563 25638 10936 1 18 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.688 -0.152 25638 10937 1 18 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.377 -0.662 25638 10938 1 18 . 1 1 73 73 LYS H H 73 7.380 7.380 7.713 -0.333 25638 10939 1 18 . 1 1 74 74 ASN N N 74 116.434 116.434 119.502 -3.068 25638 10940 1 18 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.579 -0.302 25638 10941 1 18 . 1 1 74 74 ASN C C 74 178.148 178.148 177.700 0.448 25638 10942 1 18 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.195 -0.332 25638 10943 1 18 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.069 -0.035 25638 10944 1 18 . 1 1 74 74 ASN H H 74 8.309 8.309 8.521 -0.212 25638 10945 1 18 . 1 1 75 75 LEU N N 75 118.967 118.967 121.120 -2.153 25638 10946 1 18 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.196 -0.071 25638 10947 1 18 . 1 1 75 75 LEU C C 75 180.251 180.251 179.067 1.184 25638 10948 1 18 . 1 1 75 75 LEU CA C 75 58.827 58.827 59.079 -0.252 25638 10949 1 18 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.553 -0.569 25638 10950 1 18 . 1 1 75 75 LEU H H 75 8.635 8.635 8.469 0.166 25638 10951 1 18 . 1 1 76 76 TRP N N 76 118.544 118.544 119.168 -0.624 25638 10952 1 18 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.307 0.272 25638 10953 1 18 . 1 1 76 76 TRP C C 76 180.900 180.900 179.267 1.633 25638 10954 1 18 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.327 1.089 25638 10955 1 18 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.553 -0.455 25638 10956 1 18 . 1 1 76 76 TRP H H 76 8.006 8.006 7.480 0.526 25638 10957 1 18 . 1 1 77 77 ILE N N 77 121.982 121.982 119.509 2.473 25638 10958 1 18 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.754 0.077 25638 10959 1 18 . 1 1 77 77 ILE C C 77 181.254 181.254 177.875 3.379 25638 10960 1 18 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.484 0.557 25638 10961 1 18 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.160 -0.810 25638 10962 1 18 . 1 1 77 77 ILE H H 77 8.893 8.893 8.503 0.390 25638 10963 1 18 . 1 1 78 78 PHE N N 78 123.458 123.458 120.686 2.772 25638 10964 1 18 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.246 -0.202 25638 10965 1 18 . 1 1 78 78 PHE C C 78 177.618 177.618 177.269 0.349 25638 10966 1 18 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.909 1.171 25638 10967 1 18 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.321 -0.611 25638 10968 1 18 . 1 1 78 78 PHE H H 78 8.753 8.753 8.534 0.219 25638 10969 1 18 . 1 1 79 79 VAL N N 79 117.726 117.726 118.059 -0.333 25638 10970 1 18 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.585 -0.106 25638 10971 1 18 . 1 1 79 79 VAL C C 79 178.876 178.876 178.445 0.431 25638 10972 1 18 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.095 0.718 25638 10973 1 18 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.188 0.384 25638 10974 1 18 . 1 1 79 79 VAL H H 79 8.232 8.232 8.242 -0.010 25638 10975 1 18 . 1 1 80 80 SER N N 80 114.568 114.568 116.099 -1.531 25638 10976 1 18 . 1 1 80 80 SER HA H 80 4.339 4.339 4.341 -0.002 25638 10977 1 18 . 1 1 80 80 SER C C 80 176.261 176.261 177.052 -0.791 25638 10978 1 18 . 1 1 80 80 SER CA C 80 61.337 61.337 61.413 -0.076 25638 10979 1 18 . 1 1 80 80 SER CB C 80 62.712 62.712 62.910 -0.198 25638 10980 1 18 . 1 1 80 80 SER H H 80 8.353 8.353 8.390 -0.037 25638 10981 1 18 . 1 1 81 81 LYS N N 81 121.180 121.180 120.604 0.576 25638 10982 1 18 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.212 -0.014 25638 10983 1 18 . 1 1 81 81 LYS C C 81 178.305 178.305 178.301 0.004 25638 10984 1 18 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.258 -1.154 25638 10985 1 18 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.195 -1.536 25638 10986 1 18 . 1 1 81 81 LYS H H 81 7.481 7.481 7.607 -0.126 25638 10987 1 18 . 1 1 82 82 PHE N N 82 117.950 117.950 118.087 -0.137 25638 10988 1 18 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.605 -0.208 25638 10989 1 18 . 1 1 82 82 PHE C C 82 174.787 174.787 175.154 -0.367 25638 10990 1 18 . 1 1 82 82 PHE CA C 82 58.398 58.398 57.469 0.929 25638 10991 1 18 . 1 1 82 82 PHE CB C 82 38.937 38.937 38.158 0.779 25638 10992 1 18 . 1 1 82 82 PHE H H 82 8.256 8.256 8.088 0.168 25638 10993 1 18 . 1 1 83 83 THR N N 83 109.995 109.995 112.017 -2.022 25638 10994 1 18 . 1 1 83 83 THR HA H 83 4.988 4.988 4.484 0.504 25638 10995 1 18 . 1 1 83 83 THR C C 83 174.138 174.138 173.452 0.686 25638 10996 1 18 . 1 1 83 83 THR CA C 83 59.609 59.609 60.416 -0.807 25638 10997 1 18 . 1 1 83 83 THR CB C 83 71.080 71.080 70.316 0.764 25638 10998 1 18 . 1 1 83 83 THR H H 83 7.665 7.665 7.575 0.090 25638 10999 1 18 . 1 1 84 84 GLU N N 84 119.416 119.416 120.979 -1.563 25638 11000 1 18 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.325 0.070 25638 11001 1 18 . 1 1 84 84 GLU C C 84 177.912 177.912 176.330 1.582 25638 11002 1 18 . 1 1 84 84 GLU CA C 84 56.496 56.496 56.981 -0.485 25638 11003 1 18 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.932 -0.410 25638 11004 1 18 . 1 1 84 84 GLU H H 84 8.409 8.409 8.622 -0.213 25638 11005 1 18 . 1 1 85 85 PHE N N 85 120.265 120.265 120.708 -0.443 25638 11006 1 18 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.504 0.387 25638 11007 1 18 . 1 1 85 85 PHE C C 85 175.809 175.809 175.456 0.353 25638 11008 1 18 . 1 1 85 85 PHE CA C 85 56.109 56.109 56.977 -0.868 25638 11009 1 18 . 1 1 85 85 PHE CB C 85 41.188 41.188 38.615 2.573 25638 11010 1 18 . 1 1 85 85 PHE H H 85 8.210 8.210 7.402 0.808 25638 11011 1 18 . 1 1 86 86 ASP N N 86 118.128 118.128 124.779 -6.651 25638 11012 1 18 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.560 0.176 25638 11013 1 18 . 1 1 86 86 ASP C C 86 176.986 176.986 177.405 -0.419 25638 11014 1 18 . 1 1 86 86 ASP CA C 86 53.183 53.183 56.317 -3.134 25638 11015 1 18 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.120 0.413 25638 11016 1 18 . 1 1 86 86 ASP H H 86 8.119 8.119 8.453 -0.334 25638 11017 1 18 . 1 1 87 87 ALA N N 87 121.912 121.912 125.176 -3.264 25638 11018 1 18 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.031 -0.042 25638 11019 1 18 . 1 1 87 87 ALA C C 87 180.378 180.378 179.124 1.254 25638 11020 1 18 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.202 0.873 25638 11021 1 18 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.995 1.212 25638 11022 1 18 . 1 1 87 87 ALA H H 87 8.757 8.757 8.431 0.326 25638 11023 1 18 . 1 1 88 88 ARG N N 88 117.072 117.072 118.665 -1.593 25638 11024 1 18 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.107 -0.151 25638 11025 1 18 . 1 1 88 88 ARG C C 88 179.975 179.975 177.988 1.987 25638 11026 1 18 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.734 -0.482 25638 11027 1 18 . 1 1 88 88 ARG CB C 88 29.613 29.613 30.210 -0.597 25638 11028 1 18 . 1 1 88 88 ARG H H 88 8.147 8.147 8.443 -0.296 25638 11029 1 18 . 1 1 89 89 LYS N N 89 121.809 121.809 119.090 2.719 25638 11030 1 18 . 1 1 89 89 LYS HA H 89 3.909 3.909 3.974 -0.065 25638 11031 1 18 . 1 1 89 89 LYS C C 89 179.505 179.505 178.653 0.852 25638 11032 1 18 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.727 0.259 25638 11033 1 18 . 1 1 89 89 LYS CB C 89 32.334 32.334 31.566 0.768 25638 11034 1 18 . 1 1 89 89 LYS H H 89 8.022 8.022 7.754 0.268 25638 11035 1 18 . 1 1 90 90 LEU N N 90 118.429 118.429 120.918 -2.489 25638 11036 1 18 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.740 0.004 25638 11037 1 18 . 1 1 90 90 LEU C C 90 178.069 178.069 178.374 -0.305 25638 11038 1 18 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.299 -0.256 25638 11039 1 18 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.662 0.800 25638 11040 1 18 . 1 1 90 90 LEU H H 90 8.139 8.139 8.802 -0.663 25638 11041 1 18 . 1 1 91 91 HIS N N 91 117.214 117.214 115.306 1.908 25638 11042 1 18 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.818 0.161 25638 11043 1 18 . 1 1 91 91 HIS C C 91 178.069 178.069 177.000 1.069 25638 11044 1 18 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.142 0.036 25638 11045 1 18 . 1 1 91 91 HIS CB C 91 29.428 29.428 28.668 0.760 25638 11046 1 18 . 1 1 91 91 HIS H H 91 7.379 7.379 7.213 0.166 25638 11047 1 18 . 1 1 92 92 LYS N N 92 118.466 118.466 120.681 -2.215 25638 11048 1 18 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.691 -0.056 25638 11049 1 18 . 1 1 92 92 LYS C C 92 180.310 180.310 178.507 1.803 25638 11050 1 18 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.866 0.058 25638 11051 1 18 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.160 0.206 25638 11052 1 18 . 1 1 92 92 LYS H H 92 7.599 7.599 7.046 0.553 25638 11053 1 18 . 1 1 93 93 LEU N N 93 120.752 120.752 119.703 1.049 25638 11054 1 18 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.822 0.161 25638 11055 1 18 . 1 1 93 93 LEU C C 93 181.269 181.269 178.984 2.285 25638 11056 1 18 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.217 -0.217 25638 11057 1 18 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.859 0.480 25638 11058 1 18 . 1 1 93 93 LEU H H 93 8.351 8.351 8.236 0.115 25638 11059 1 18 . 1 1 94 94 TYR N N 94 122.311 122.311 119.328 2.983 25638 11060 1 18 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.021 0.115 25638 11061 1 18 . 1 1 94 94 TYR C C 94 176.789 176.789 177.483 -0.694 25638 11062 1 18 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.572 -0.272 25638 11063 1 18 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.335 0.243 25638 11064 1 18 . 1 1 94 94 TYR H H 94 8.290 8.290 8.567 -0.277 25638 11065 1 18 . 1 1 95 95 LYS N N 95 117.851 117.851 118.800 -0.949 25638 11066 1 18 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.633 -0.207 25638 11067 1 18 . 1 1 95 95 LYS C C 95 180.684 180.684 179.019 1.665 25638 11068 1 18 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.329 0.050 25638 11069 1 18 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.150 -0.902 25638 11070 1 18 . 1 1 95 95 LYS H H 95 8.180 8.180 8.211 -0.031 25638 11071 1 18 . 1 1 96 96 HIS N N 96 117.611 117.611 117.334 0.277 25638 11072 1 18 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.293 -0.080 25638 11073 1 18 . 1 1 96 96 HIS C C 96 178.266 178.266 177.490 0.776 25638 11074 1 18 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.507 -0.233 25638 11075 1 18 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.951 0.252 25638 11076 1 18 . 1 1 96 96 HIS H H 96 8.049 8.049 8.354 -0.305 25638 11077 1 18 . 1 1 97 97 ALA N N 97 122.617 122.617 123.071 -0.454 25638 11078 1 18 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.085 0.006 25638 11079 1 18 . 1 1 97 97 ALA C C 97 181.352 181.352 179.262 2.090 25638 11080 1 18 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.150 -0.505 25638 11081 1 18 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.244 -0.475 25638 11082 1 18 . 1 1 97 97 ALA H H 97 8.104 8.104 8.135 -0.031 25638 11083 1 18 . 1 1 98 98 ILE N N 98 111.626 111.626 119.689 -8.063 25638 11084 1 18 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.512 0.597 25638 11085 1 18 . 1 1 98 98 ILE C C 98 178.561 178.561 177.305 1.256 25638 11086 1 18 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.790 -2.060 25638 11087 1 18 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.809 -0.163 25638 11088 1 18 . 1 1 98 98 ILE H H 98 7.636 7.636 8.024 -0.388 25638 11089 1 18 . 1 1 99 99 LYS N N 99 124.158 124.158 119.029 5.129 25638 11090 1 18 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.863 0.182 25638 11091 1 18 . 1 1 99 99 LYS C C 99 179.111 179.111 177.874 1.237 25638 11092 1 18 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.385 -0.315 25638 11093 1 18 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.158 0.014 25638 11094 1 18 . 1 1 99 99 LYS H H 99 7.359 7.359 8.038 -0.679 25638 11095 1 18 . 1 1 100 100 LYS N N 100 118.333 118.333 117.159 1.174 25638 11096 1 18 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.027 0.116 25638 11097 1 18 . 1 1 100 100 LYS C C 100 179.111 179.111 178.669 0.442 25638 11098 1 18 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.746 -1.534 25638 11099 1 18 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.505 -0.763 25638 11100 1 18 . 1 1 100 100 LYS H H 100 7.937 7.937 7.664 0.273 25638 11101 1 18 . 1 1 101 101 ARG N N 101 121.125 121.125 117.432 3.693 25638 11102 1 18 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.091 0.038 25638 11103 1 18 . 1 1 101 101 ARG C C 101 178.541 178.541 177.825 0.716 25638 11104 1 18 . 1 1 101 101 ARG CA C 101 58.166 58.166 57.918 0.248 25638 11105 1 18 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.484 0.107 25638 11106 1 18 . 1 1 101 101 ARG H H 101 7.895 7.895 7.804 0.091 25638 11107 1 18 . 1 1 102 102 GLN N N 102 119.756 119.756 119.592 0.164 25638 11108 1 18 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.095 0.112 25638 11109 1 18 . 1 1 102 102 GLN C C 102 178.129 178.129 176.131 1.998 25638 11110 1 18 . 1 1 102 102 GLN CA C 102 56.912 56.912 56.272 0.640 25638 11111 1 18 . 1 1 102 102 GLN CB C 102 28.921 28.921 27.468 1.453 25638 11112 1 18 . 1 1 102 102 GLN H H 102 8.167 8.167 7.936 0.231 25638 11113 1 18 . 1 1 103 103 GLU N N 103 120.553 120.553 124.542 -3.989 25638 11114 1 18 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.274 -0.074 25638 11115 1 18 . 1 1 103 103 GLU C C 103 178.286 178.286 177.039 1.247 25638 11116 1 18 . 1 1 103 103 GLU CA C 103 57.505 57.505 56.255 1.250 25638 11117 1 18 . 1 1 103 103 GLU CB C 103 29.924 29.924 30.310 -0.386 25638 11118 1 18 . 1 1 103 103 GLU H H 103 8.189 8.189 8.318 -0.129 25638 11119 1 18 . 1 1 104 104 SER N N 104 115.381 115.381 115.812 -0.431 25638 11120 1 18 . 1 1 104 104 SER HA H 104 4.431 4.431 4.321 0.110 25638 11121 1 18 . 1 1 104 104 SER C C 104 175.750 175.750 174.778 0.972 25638 11122 1 18 . 1 1 104 104 SER CA C 104 59.154 59.154 59.614 -0.460 25638 11123 1 18 . 1 1 104 104 SER CB C 104 63.456 63.456 63.306 0.150 25638 11124 1 18 . 1 1 104 104 SER H H 104 8.099 8.099 8.529 -0.430 25638 11125 1 18 . 1 1 105 105 GLN N N 105 121.635 121.635 118.475 3.160 25638 11126 1 18 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.434 -0.099 25638 11127 1 18 . 1 1 105 105 GLN C C 105 177.008 177.008 174.960 2.048 25638 11128 1 18 . 1 1 105 105 GLN CA C 105 56.053 56.053 55.227 0.826 25638 11129 1 18 . 1 1 105 105 GLN CB C 105 29.128 29.128 30.244 -1.116 25638 11130 1 18 . 1 1 105 105 GLN H H 105 8.170 8.170 7.454 0.716 25638 11131 1 18 . 1 1 106 106 GLN N N 106 120.850 120.850 119.471 1.379 25638 11132 1 18 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.101 0.230 25638 11133 1 18 . 1 1 106 106 GLN C C 106 176.713 176.713 175.044 1.669 25638 11134 1 18 . 1 1 106 106 GLN CA C 106 55.951 55.951 57.421 -1.470 25638 11135 1 18 . 1 1 106 106 GLN CB C 106 29.254 29.254 28.888 0.366 25638 11136 1 18 . 1 1 106 106 GLN H H 106 8.281 8.281 8.651 -0.370 25638 11137 1 18 . 1 1 107 107 ASN N N 107 120.271 120.271 115.956 4.315 25638 11138 1 18 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.468 0.322 25638 11139 1 18 . 1 1 107 107 ASN C C 107 175.337 175.337 174.575 0.762 25638 11140 1 18 . 1 1 107 107 ASN CA C 107 53.353 53.353 54.120 -0.767 25638 11141 1 18 . 1 1 107 107 ASN CB C 107 39.094 39.094 37.474 1.620 25638 11142 1 18 . 1 1 107 107 ASN H H 107 8.434 8.434 8.136 0.298 25638 11143 1 19 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.512 -0.067 25638 11144 1 19 . 1 1 2 2 PRO C C 2 178.089 178.089 175.854 2.235 25638 11145 1 19 . 1 1 2 2 PRO CA C 2 63.306 63.306 63.618 -0.312 25638 11146 1 19 . 1 1 2 2 PRO CB C 2 32.468 32.468 31.408 1.060 25638 11147 1 19 . 1 1 3 3 LEU N N 3 122.239 122.239 125.279 -3.040 25638 11148 1 19 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.519 -0.222 25638 11149 1 19 . 1 1 3 3 LEU C C 3 178.876 178.876 177.697 1.179 25638 11150 1 19 . 1 1 3 3 LEU CA C 3 55.529 55.529 55.148 0.381 25638 11151 1 19 . 1 1 3 3 LEU CB C 3 42.150 42.150 44.004 -1.854 25638 11152 1 19 . 1 1 3 3 LEU H H 3 8.522 8.522 8.143 0.379 25638 11153 1 19 . 1 1 4 4 GLY N N 4 109.572 109.572 109.109 0.463 25638 11154 1 19 . 1 1 4 4 GLY C C 4 174.630 174.630 174.798 -0.168 25638 11155 1 19 . 1 1 4 4 GLY CA C 4 45.333 45.333 45.469 -0.136 25638 11156 1 19 . 1 1 4 4 GLY H H 4 8.349 8.349 8.465 -0.116 25638 11157 1 19 . 1 1 5 5 SER N N 5 115.481 115.481 114.470 1.011 25638 11158 1 19 . 1 1 5 5 SER HA H 5 4.513 4.513 4.809 -0.296 25638 11159 1 19 . 1 1 5 5 SER C C 5 174.667 174.667 173.414 1.253 25638 11160 1 19 . 1 1 5 5 SER CA C 5 57.801 57.801 57.335 0.466 25638 11161 1 19 . 1 1 5 5 SER CB C 5 64.536 64.536 65.178 -0.642 25638 11162 1 19 . 1 1 5 5 SER H H 5 8.119 8.119 7.657 0.462 25638 11163 1 19 . 1 1 6 6 LEU N N 6 121.895 121.895 123.685 -1.790 25638 11164 1 19 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.407 0.247 25638 11165 1 19 . 1 1 6 6 LEU C C 6 177.932 177.932 176.268 1.664 25638 11166 1 19 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.746 -0.824 25638 11167 1 19 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.554 2.052 25638 11168 1 19 . 1 1 6 6 LEU H H 6 8.319 8.319 8.412 -0.093 25638 11169 1 19 . 1 1 7 7 ASP N N 7 121.978 121.978 122.192 -0.214 25638 11170 1 19 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.656 -0.050 25638 11171 1 19 . 1 1 7 7 ASP C C 7 176.477 176.477 177.276 -0.799 25638 11172 1 19 . 1 1 7 7 ASP CA C 7 53.218 53.218 53.538 -0.320 25638 11173 1 19 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.746 -1.788 25638 11174 1 19 . 1 1 7 7 ASP H H 7 8.318 8.318 8.080 0.238 25638 11175 1 19 . 1 1 8 8 GLN N N 8 119.885 119.885 120.271 -0.386 25638 11176 1 19 . 1 1 8 8 GLN HA H 8 4.086 4.086 3.998 0.088 25638 11177 1 19 . 1 1 8 8 GLN C C 8 179.710 179.710 178.184 1.526 25638 11178 1 19 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.613 0.212 25638 11179 1 19 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.730 -0.246 25638 11180 1 19 . 1 1 8 8 GLN H H 8 8.746 8.746 8.751 -0.005 25638 11181 1 19 . 1 1 9 9 LYS N N 9 120.863 120.863 118.516 2.347 25638 11182 1 19 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.170 0.027 25638 11183 1 19 . 1 1 9 9 LYS C C 9 180.333 180.333 178.808 1.525 25638 11184 1 19 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.884 -0.510 25638 11185 1 19 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.661 0.296 25638 11186 1 19 . 1 1 9 9 LYS H H 9 8.454 8.454 8.535 -0.081 25638 11187 1 19 . 1 1 10 10 THR N N 10 118.654 118.654 116.573 2.081 25638 11188 1 19 . 1 1 10 10 THR HA H 10 3.985 3.985 4.326 -0.341 25638 11189 1 19 . 1 1 10 10 THR C C 10 177.904 177.904 176.716 1.188 25638 11190 1 19 . 1 1 10 10 THR CA C 10 67.618 67.618 65.963 1.655 25638 11191 1 19 . 1 1 10 10 THR CB C 10 67.523 67.523 68.255 -0.732 25638 11192 1 19 . 1 1 10 10 THR H H 10 8.531 8.531 8.120 0.411 25638 11193 1 19 . 1 1 11 11 PHE N N 11 123.876 123.876 122.564 1.312 25638 11194 1 19 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.353 -0.359 25638 11195 1 19 . 1 1 11 11 PHE C C 11 177.676 177.676 177.455 0.221 25638 11196 1 19 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.356 1.863 25638 11197 1 19 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.815 0.531 25638 11198 1 19 . 1 1 11 11 PHE H H 11 9.296 9.296 8.031 1.265 25638 11199 1 19 . 1 1 12 12 SER N N 12 114.219 114.219 115.658 -1.439 25638 11200 1 19 . 1 1 12 12 SER HA H 12 4.151 4.151 4.017 0.134 25638 11201 1 19 . 1 1 12 12 SER C C 12 177.922 177.922 176.335 1.587 25638 11202 1 19 . 1 1 12 12 SER CA C 12 62.899 62.899 61.643 1.256 25638 11203 1 19 . 1 1 12 12 SER CB C 12 63.194 63.194 63.242 -0.048 25638 11204 1 19 . 1 1 12 12 SER H H 12 8.306 8.306 7.700 0.606 25638 11205 1 19 . 1 1 13 13 ILE N N 13 123.613 123.613 122.523 1.090 25638 11206 1 19 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.734 0.103 25638 11207 1 19 . 1 1 13 13 ILE C C 13 179.563 179.563 177.683 1.880 25638 11208 1 19 . 1 1 13 13 ILE CA C 13 65.100 65.100 63.045 2.055 25638 11209 1 19 . 1 1 13 13 ILE CB C 13 38.310 38.310 36.384 1.926 25638 11210 1 19 . 1 1 13 13 ILE H H 13 7.897 7.897 8.263 -0.366 25638 11211 1 19 . 1 1 14 14 CYS N N 14 118.125 118.125 117.943 0.182 25638 11212 1 19 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.784 -0.233 25638 11213 1 19 . 1 1 14 14 CYS C C 14 176.010 176.010 176.670 -0.660 25638 11214 1 19 . 1 1 14 14 CYS CA C 14 64.572 64.572 60.960 3.612 25638 11215 1 19 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.421 1.300 25638 11216 1 19 . 1 1 14 14 CYS H H 14 8.329 8.329 8.160 0.169 25638 11217 1 19 . 1 1 15 15 LYS N N 15 118.532 118.532 120.756 -2.224 25638 11218 1 19 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.631 -0.482 25638 11219 1 19 . 1 1 15 15 LYS C C 15 179.846 179.846 178.098 1.748 25638 11220 1 19 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.316 0.415 25638 11221 1 19 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.879 0.213 25638 11222 1 19 . 1 1 15 15 LYS H H 15 8.025 8.025 7.387 0.638 25638 11223 1 19 . 1 1 16 16 GLU N N 16 118.138 118.138 117.056 1.082 25638 11224 1 19 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.006 0.021 25638 11225 1 19 . 1 1 16 16 GLU C C 16 180.959 180.959 179.211 1.748 25638 11226 1 19 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.435 0.707 25638 11227 1 19 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.666 -0.553 25638 11228 1 19 . 1 1 16 16 GLU H H 16 7.403 7.403 7.970 -0.567 25638 11229 1 19 . 1 1 17 17 ARG N N 17 117.969 117.969 118.717 -0.748 25638 11230 1 19 . 1 1 17 17 ARG HA H 17 4.063 4.063 3.990 0.073 25638 11231 1 19 . 1 1 17 17 ARG C C 17 179.544 179.544 179.002 0.542 25638 11232 1 19 . 1 1 17 17 ARG CA C 17 58.155 58.155 58.008 0.147 25638 11233 1 19 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.043 -0.076 25638 11234 1 19 . 1 1 17 17 ARG H H 17 8.325 8.325 7.847 0.478 25638 11235 1 19 . 1 1 18 18 MET N N 18 113.332 113.332 118.201 -4.869 25638 11236 1 19 . 1 1 18 18 MET HA H 18 4.561 4.561 4.312 0.249 25638 11237 1 19 . 1 1 18 18 MET C C 18 176.890 176.890 175.148 1.742 25638 11238 1 19 . 1 1 18 18 MET CA C 18 53.377 53.377 54.322 -0.945 25638 11239 1 19 . 1 1 18 18 MET CB C 18 29.724 29.724 30.591 -0.867 25638 11240 1 19 . 1 1 18 18 MET H H 18 7.718 7.718 8.341 -0.623 25638 11241 1 19 . 1 1 19 19 ARG N N 19 123.288 123.288 120.807 2.481 25638 11242 1 19 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.277 -0.126 25638 11243 1 19 . 1 1 19 19 ARG C C 19 176.556 176.556 176.576 -0.020 25638 11244 1 19 . 1 1 19 19 ARG CA C 19 61.133 61.133 59.733 1.400 25638 11245 1 19 . 1 1 19 19 ARG CB C 19 28.258 28.258 27.897 0.361 25638 11246 1 19 . 1 1 19 19 ARG H H 19 7.152 7.152 7.692 -0.540 25638 11247 1 19 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.233 0.110 25638 11248 1 19 . 1 1 20 20 PRO CA C 20 65.997 65.997 64.832 1.165 25638 11249 1 19 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.015 0.825 25638 11250 1 19 . 1 1 21 21 VAL N N 21 105.802 105.802 109.156 -3.354 25638 11251 1 19 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.393 0.428 25638 11252 1 19 . 1 1 21 21 VAL C C 21 176.261 176.261 176.101 0.160 25638 11253 1 19 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.408 -1.305 25638 11254 1 19 . 1 1 21 21 VAL CB C 21 30.856 30.856 31.600 -0.744 25638 11255 1 19 . 1 1 21 21 VAL H H 21 7.352 7.352 7.480 -0.128 25638 11256 1 19 . 1 1 22 22 LYS N N 22 122.802 122.802 122.944 -0.142 25638 11257 1 19 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.852 -0.088 25638 11258 1 19 . 1 1 22 22 LYS C C 22 178.758 178.758 178.194 0.564 25638 11259 1 19 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.499 -0.167 25638 11260 1 19 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.287 -0.073 25638 11261 1 19 . 1 1 22 22 LYS H H 22 7.640 7.640 7.715 -0.075 25638 11262 1 19 . 1 1 23 23 ALA N N 23 120.067 120.067 120.605 -0.538 25638 11263 1 19 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.061 0.014 25638 11264 1 19 . 1 1 23 23 ALA C C 23 180.998 180.998 179.318 1.680 25638 11265 1 19 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.080 0.079 25638 11266 1 19 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.876 0.038 25638 11267 1 19 . 1 1 23 23 ALA H H 23 8.571 8.571 8.481 0.090 25638 11268 1 19 . 1 1 24 24 ALA N N 24 121.068 121.068 121.385 -0.317 25638 11269 1 19 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.074 0.088 25638 11270 1 19 . 1 1 24 24 ALA C C 24 180.271 180.271 179.494 0.777 25638 11271 1 19 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.784 -0.028 25638 11272 1 19 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.463 -0.270 25638 11273 1 19 . 1 1 24 24 ALA H H 24 7.320 7.320 7.761 -0.441 25638 11274 1 19 . 1 1 25 25 LEU N N 25 117.214 117.214 117.949 -0.735 25638 11275 1 19 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.962 -0.251 25638 11276 1 19 . 1 1 25 25 LEU C C 25 179.524 179.524 178.913 0.611 25638 11277 1 19 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.076 -0.125 25638 11278 1 19 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.056 -0.426 25638 11279 1 19 . 1 1 25 25 LEU H H 25 7.698 7.698 8.445 -0.747 25638 11280 1 19 . 1 1 26 26 LYS N N 26 116.336 116.336 118.738 -2.402 25638 11281 1 19 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.000 0.163 25638 11282 1 19 . 1 1 26 26 LYS C C 26 179.308 179.308 179.383 -0.075 25638 11283 1 19 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.251 -0.837 25638 11284 1 19 . 1 1 26 26 LYS CB C 26 32.166 32.166 31.630 0.536 25638 11285 1 19 . 1 1 26 26 LYS H H 26 7.675 7.675 8.044 -0.369 25638 11286 1 19 . 1 1 27 27 GLN N N 27 116.118 116.118 116.464 -0.346 25638 11287 1 19 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.113 0.162 25638 11288 1 19 . 1 1 27 27 GLN C C 27 178.679 178.679 177.283 1.396 25638 11289 1 19 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.625 -1.818 25638 11290 1 19 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.609 1.411 25638 11291 1 19 . 1 1 27 27 GLN H H 27 7.520 7.520 8.122 -0.602 25638 11292 1 19 . 1 1 28 28 LEU N N 28 121.335 121.335 116.568 4.767 25638 11293 1 19 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.476 -0.323 25638 11294 1 19 . 1 1 28 28 LEU C C 28 178.168 178.168 178.524 -0.356 25638 11295 1 19 . 1 1 28 28 LEU CA C 28 58.042 58.042 55.382 2.660 25638 11296 1 19 . 1 1 28 28 LEU CB C 28 41.911 41.911 42.376 -0.465 25638 11297 1 19 . 1 1 28 28 LEU H H 28 7.506 7.506 7.409 0.097 25638 11298 1 19 . 1 1 29 29 ASP N N 29 117.486 117.486 121.068 -3.582 25638 11299 1 19 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.616 0.298 25638 11300 1 19 . 1 1 29 29 ASP C C 29 176.772 176.772 176.458 0.314 25638 11301 1 19 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.754 -2.628 25638 11302 1 19 . 1 1 29 29 ASP CB C 29 42.715 42.715 42.109 0.606 25638 11303 1 19 . 1 1 29 29 ASP H H 29 8.120 8.120 8.007 0.113 25638 11304 1 19 . 1 1 30 30 ARG N N 30 119.107 119.107 119.352 -0.245 25638 11305 1 19 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.772 -0.011 25638 11306 1 19 . 1 1 30 30 ARG C C 30 173.824 173.824 173.952 -0.128 25638 11307 1 19 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.741 -0.510 25638 11308 1 19 . 1 1 30 30 ARG CB C 30 31.311 31.311 32.299 -0.988 25638 11309 1 19 . 1 1 30 30 ARG H H 30 7.701 7.701 8.044 -0.343 25638 11310 1 19 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.492 -0.226 25638 11311 1 19 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.791 0.154 25638 11312 1 19 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.465 -0.451 25638 11313 1 19 . 1 1 32 32 GLU N N 32 122.391 122.391 117.949 4.442 25638 11314 1 19 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.286 -0.098 25638 11315 1 19 . 1 1 32 32 GLU C C 32 177.401 177.401 175.939 1.462 25638 11316 1 19 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.217 0.172 25638 11317 1 19 . 1 1 32 32 GLU CB C 32 30.188 30.188 29.938 0.251 25638 11318 1 19 . 1 1 32 32 GLU H H 32 8.454 8.454 8.678 -0.224 25638 11319 1 19 . 1 1 33 33 LYS N N 33 123.127 123.127 117.416 5.711 25638 11320 1 19 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.130 0.046 25638 11321 1 19 . 1 1 33 33 LYS C C 33 178.482 178.482 175.716 2.766 25638 11322 1 19 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.545 0.582 25638 11323 1 19 . 1 1 33 33 LYS CB C 33 32.640 32.640 29.974 2.666 25638 11324 1 19 . 1 1 33 33 LYS H H 33 8.338 8.338 8.141 0.197 25638 11325 1 19 . 1 1 34 34 GLY N N 34 109.507 109.507 104.555 4.952 25638 11326 1 19 . 1 1 34 34 GLY C C 34 175.475 175.475 175.035 0.440 25638 11327 1 19 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.185 0.133 25638 11328 1 19 . 1 1 34 34 GLY H H 34 8.643 8.643 8.005 0.638 25638 11329 1 19 . 1 1 35 35 LEU N N 35 120.392 120.392 119.212 1.180 25638 11330 1 19 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.407 0.108 25638 11331 1 19 . 1 1 35 35 LEU C C 35 178.797 178.797 177.360 1.437 25638 11332 1 19 . 1 1 35 35 LEU CA C 35 54.449 54.449 55.869 -1.420 25638 11333 1 19 . 1 1 35 35 LEU CB C 35 43.116 43.116 42.115 1.001 25638 11334 1 19 . 1 1 35 35 LEU H H 35 7.480 7.480 7.991 -0.511 25638 11335 1 19 . 1 1 36 36 SER N N 36 118.629 118.629 109.792 8.837 25638 11336 1 19 . 1 1 36 36 SER HA H 36 4.471 4.471 4.538 -0.067 25638 11337 1 19 . 1 1 36 36 SER C C 36 175.632 175.632 173.125 2.507 25638 11338 1 19 . 1 1 36 36 SER CA C 36 57.814 57.814 57.082 0.732 25638 11339 1 19 . 1 1 36 36 SER CB C 36 64.678 64.678 63.855 0.823 25638 11340 1 19 . 1 1 36 36 SER H H 36 8.838 8.838 7.765 1.073 25638 11341 1 19 . 1 1 37 37 GLU N N 37 122.722 122.722 119.312 3.410 25638 11342 1 19 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.331 -0.317 25638 11343 1 19 . 1 1 37 37 GLU C C 37 179.976 179.976 178.240 1.736 25638 11344 1 19 . 1 1 37 37 GLU CA C 37 60.578 60.578 57.716 2.862 25638 11345 1 19 . 1 1 37 37 GLU CB C 37 29.349 29.349 30.343 -0.994 25638 11346 1 19 . 1 1 37 37 GLU H H 37 9.018 9.018 8.703 0.315 25638 11347 1 19 . 1 1 38 38 ARG N N 38 118.418 118.418 119.927 -1.509 25638 11348 1 19 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.156 -0.043 25638 11349 1 19 . 1 1 38 38 ARG C C 38 180.212 180.212 178.092 2.120 25638 11350 1 19 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.947 0.501 25638 11351 1 19 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.192 -0.385 25638 11352 1 19 . 1 1 38 38 ARG H H 38 8.509 8.509 7.657 0.852 25638 11353 1 19 . 1 1 39 39 GLU N N 39 119.730 119.730 118.925 0.805 25638 11354 1 19 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.235 -0.145 25638 11355 1 19 . 1 1 39 39 GLU C C 39 180.529 180.529 178.533 1.996 25638 11356 1 19 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.031 -0.138 25638 11357 1 19 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.256 2.300 25638 11358 1 19 . 1 1 39 39 GLU H H 39 7.761 7.761 8.516 -0.755 25638 11359 1 19 . 1 1 40 40 GLN N N 40 121.665 121.665 118.666 2.999 25638 11360 1 19 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.154 -0.110 25638 11361 1 19 . 1 1 40 40 GLN C C 40 179.760 179.760 178.490 1.270 25638 11362 1 19 . 1 1 40 40 GLN CA C 40 59.370 59.370 59.251 0.119 25638 11363 1 19 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.002 0.486 25638 11364 1 19 . 1 1 40 40 GLN H H 40 8.871 8.871 8.658 0.213 25638 11365 1 19 . 1 1 41 41 LEU N N 41 121.002 121.002 119.240 1.762 25638 11366 1 19 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.045 0.182 25638 11367 1 19 . 1 1 41 41 LEU C C 41 180.841 180.841 178.787 2.054 25638 11368 1 19 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.313 -0.023 25638 11369 1 19 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.978 -0.377 25638 11370 1 19 . 1 1 41 41 LEU H H 41 8.140 8.140 7.807 0.333 25638 11371 1 19 . 1 1 42 42 GLU N N 42 119.818 119.818 119.534 0.284 25638 11372 1 19 . 1 1 42 42 GLU HA H 42 4.234 4.234 4.198 0.036 25638 11373 1 19 . 1 1 42 42 GLU C C 42 179.603 179.603 178.485 1.118 25638 11374 1 19 . 1 1 42 42 GLU CA C 42 58.910 58.910 58.768 0.142 25638 11375 1 19 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.055 -0.088 25638 11376 1 19 . 1 1 42 42 GLU H H 42 7.894 7.894 8.418 -0.524 25638 11377 1 19 . 1 1 43 43 HIS N N 43 119.964 119.964 120.884 -0.920 25638 11378 1 19 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.194 0.227 25638 11379 1 19 . 1 1 43 43 HIS C C 43 179.140 179.140 177.631 1.509 25638 11380 1 19 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.745 -0.932 25638 11381 1 19 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.217 -0.773 25638 11382 1 19 . 1 1 43 43 HIS H H 43 8.437 8.437 8.662 -0.225 25638 11383 1 19 . 1 1 44 44 THR N N 44 117.768 117.768 114.780 2.988 25638 11384 1 19 . 1 1 44 44 THR HA H 44 3.884 3.884 4.147 -0.263 25638 11385 1 19 . 1 1 44 44 THR C C 44 179.008 179.008 176.347 2.661 25638 11386 1 19 . 1 1 44 44 THR CA C 44 67.603 67.603 67.526 0.077 25638 11387 1 19 . 1 1 44 44 THR CB C 44 68.981 68.981 68.500 0.481 25638 11388 1 19 . 1 1 44 44 THR H H 44 8.589 8.589 8.708 -0.119 25638 11389 1 19 . 1 1 45 45 ARG N N 45 121.750 121.750 121.859 -0.109 25638 11390 1 19 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.049 -0.170 25638 11391 1 19 . 1 1 45 45 ARG C C 45 178.817 178.817 178.734 0.083 25638 11392 1 19 . 1 1 45 45 ARG CA C 45 60.859 60.859 60.060 0.799 25638 11393 1 19 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.514 1.202 25638 11394 1 19 . 1 1 45 45 ARG H H 45 8.255 8.255 8.071 0.184 25638 11395 1 19 . 1 1 46 46 GLN N N 46 116.576 116.576 119.014 -2.438 25638 11396 1 19 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.000 0.024 25638 11397 1 19 . 1 1 46 46 GLN C C 46 181.018 181.018 178.473 2.545 25638 11398 1 19 . 1 1 46 46 GLN CA C 46 59.575 59.575 59.136 0.439 25638 11399 1 19 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.485 -0.730 25638 11400 1 19 . 1 1 46 46 GLN H H 46 8.328 8.328 8.469 -0.141 25638 11401 1 19 . 1 1 47 47 CYS N N 47 118.569 118.569 119.516 -0.947 25638 11402 1 19 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.065 0.018 25638 11403 1 19 . 1 1 47 47 CYS C C 47 177.244 177.244 176.737 0.507 25638 11404 1 19 . 1 1 47 47 CYS CA C 47 64.104 64.104 63.681 0.423 25638 11405 1 19 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.792 -0.729 25638 11406 1 19 . 1 1 47 47 CYS H H 47 8.029 8.029 8.478 -0.449 25638 11407 1 19 . 1 1 48 48 LEU N N 48 119.873 119.873 121.519 -1.646 25638 11408 1 19 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.007 0.062 25638 11409 1 19 . 1 1 48 48 LEU C C 48 179.839 179.839 178.937 0.902 25638 11410 1 19 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.104 0.209 25638 11411 1 19 . 1 1 48 48 LEU CB C 48 42.225 42.225 42.353 -0.128 25638 11412 1 19 . 1 1 48 48 LEU H H 48 8.539 8.539 8.343 0.196 25638 11413 1 19 . 1 1 49 49 ILE N N 49 119.523 119.523 116.531 2.992 25638 11414 1 19 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.092 -0.122 25638 11415 1 19 . 1 1 49 49 ILE C C 49 178.188 178.188 177.759 0.429 25638 11416 1 19 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.237 0.974 25638 11417 1 19 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.567 0.428 25638 11418 1 19 . 1 1 49 49 ILE H H 49 8.516 8.516 8.787 -0.271 25638 11419 1 19 . 1 1 50 50 LYS N N 50 118.622 118.622 120.875 -2.253 25638 11420 1 19 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.103 0.090 25638 11421 1 19 . 1 1 50 50 LYS C C 50 181.391 181.391 179.161 2.230 25638 11422 1 19 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.959 -0.412 25638 11423 1 19 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.302 0.288 25638 11424 1 19 . 1 1 50 50 LYS H H 50 7.522 7.522 7.601 -0.079 25638 11425 1 19 . 1 1 51 51 ILE N N 51 119.288 119.288 119.528 -0.240 25638 11426 1 19 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.568 -0.119 25638 11427 1 19 . 1 1 51 51 ILE C C 51 178.384 178.384 177.786 0.598 25638 11428 1 19 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.844 -0.077 25638 11429 1 19 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.722 1.258 25638 11430 1 19 . 1 1 51 51 ILE H H 51 8.107 8.107 8.496 -0.389 25638 11431 1 19 . 1 1 52 52 GLY N N 52 108.211 108.211 106.948 1.263 25638 11432 1 19 . 1 1 52 52 GLY C C 52 178.168 178.168 174.962 3.206 25638 11433 1 19 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.753 0.311 25638 11434 1 19 . 1 1 52 52 GLY H H 52 9.224 9.224 8.382 0.842 25638 11435 1 19 . 1 1 53 53 ASP N N 53 124.013 124.013 122.660 1.353 25638 11436 1 19 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.415 0.119 25638 11437 1 19 . 1 1 53 53 ASP C C 53 179.976 179.976 178.063 1.913 25638 11438 1 19 . 1 1 53 53 ASP CA C 53 57.628 57.628 56.987 0.641 25638 11439 1 19 . 1 1 53 53 ASP CB C 53 39.282 39.282 41.070 -1.788 25638 11440 1 19 . 1 1 53 53 ASP H H 53 9.091 9.091 8.088 1.003 25638 11441 1 19 . 1 1 54 54 HIS N N 54 121.598 121.598 118.653 2.945 25638 11442 1 19 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.198 0.208 25638 11443 1 19 . 1 1 54 54 HIS C C 54 178.982 178.982 177.732 1.250 25638 11444 1 19 . 1 1 54 54 HIS CA C 54 60.460 60.460 60.180 0.280 25638 11445 1 19 . 1 1 54 54 HIS CB C 54 31.567 31.567 30.041 1.526 25638 11446 1 19 . 1 1 54 54 HIS H H 54 7.664 7.664 8.147 -0.483 25638 11447 1 19 . 1 1 55 55 ILE N N 55 121.892 121.892 120.314 1.578 25638 11448 1 19 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.456 -0.272 25638 11449 1 19 . 1 1 55 55 ILE C C 55 178.188 178.188 177.774 0.414 25638 11450 1 19 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.784 1.893 25638 11451 1 19 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.337 -0.093 25638 11452 1 19 . 1 1 55 55 ILE H H 55 8.255 8.255 8.438 -0.183 25638 11453 1 19 . 1 1 56 56 THR N N 56 115.458 115.458 115.641 -0.183 25638 11454 1 19 . 1 1 56 56 THR HA H 56 3.759 3.759 3.931 -0.172 25638 11455 1 19 . 1 1 56 56 THR C C 56 180.195 180.195 177.093 3.102 25638 11456 1 19 . 1 1 56 56 THR CA C 56 67.551 67.551 66.815 0.736 25638 11457 1 19 . 1 1 56 56 THR CB C 56 68.756 68.756 68.252 0.504 25638 11458 1 19 . 1 1 56 56 THR H H 56 8.047 8.047 7.837 0.210 25638 11459 1 19 . 1 1 57 57 GLU N N 57 121.544 121.544 119.984 1.560 25638 11460 1 19 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.134 -0.180 25638 11461 1 19 . 1 1 57 57 GLU C C 57 180.979 180.979 178.064 2.915 25638 11462 1 19 . 1 1 57 57 GLU CA C 57 59.379 59.379 58.352 1.027 25638 11463 1 19 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.159 -0.419 25638 11464 1 19 . 1 1 57 57 GLU H H 57 7.591 7.591 8.506 -0.915 25638 11465 1 19 . 1 1 58 58 CYS N N 58 118.970 118.970 117.964 1.006 25638 11466 1 19 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.077 -0.137 25638 11467 1 19 . 1 1 58 58 CYS C C 58 178.089 178.089 176.838 1.251 25638 11468 1 19 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.165 1.057 25638 11469 1 19 . 1 1 58 58 CYS CB C 58 26.562 26.562 28.424 -1.862 25638 11470 1 19 . 1 1 58 58 CYS H H 58 8.206 8.206 7.666 0.540 25638 11471 1 19 . 1 1 59 59 LEU N N 59 116.873 116.873 120.451 -3.578 25638 11472 1 19 . 1 1 59 59 LEU HA H 59 4.251 4.251 3.878 0.373 25638 11473 1 19 . 1 1 59 59 LEU C C 59 179.033 179.033 178.783 0.250 25638 11474 1 19 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.846 -1.807 25638 11475 1 19 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.625 -0.588 25638 11476 1 19 . 1 1 59 59 LEU H H 59 7.726 7.726 8.540 -0.814 25638 11477 1 19 . 1 1 60 60 LYS N N 60 117.911 117.911 117.531 0.380 25638 11478 1 19 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.020 0.111 25638 11479 1 19 . 1 1 60 60 LYS C C 60 177.912 177.912 177.261 0.651 25638 11480 1 19 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.639 -0.102 25638 11481 1 19 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.598 0.792 25638 11482 1 19 . 1 1 60 60 LYS H H 60 7.298 7.298 7.901 -0.603 25638 11483 1 19 . 1 1 61 61 GLU N N 61 115.507 115.507 118.195 -2.688 25638 11484 1 19 . 1 1 61 61 GLU HA H 61 3.889 3.889 4.013 -0.124 25638 11485 1 19 . 1 1 61 61 GLU C C 61 176.576 176.576 176.849 -0.273 25638 11486 1 19 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.648 -0.597 25638 11487 1 19 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.994 -0.260 25638 11488 1 19 . 1 1 61 61 GLU H H 61 7.084 7.084 7.495 -0.411 25638 11489 1 19 . 1 1 62 62 TYR N N 62 118.581 118.581 117.263 1.318 25638 11490 1 19 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.515 0.191 25638 11491 1 19 . 1 1 62 62 TYR C C 62 175.935 175.935 176.104 -0.169 25638 11492 1 19 . 1 1 62 62 TYR CA C 62 57.147 57.147 58.239 -1.091 25638 11493 1 19 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.581 1.804 25638 11494 1 19 . 1 1 62 62 TYR H H 62 7.387 7.387 6.965 0.422 25638 11495 1 19 . 1 1 63 63 THR N N 63 109.064 109.064 114.649 -5.585 25638 11496 1 19 . 1 1 63 63 THR HA H 63 4.507 4.507 4.433 0.074 25638 11497 1 19 . 1 1 63 63 THR C C 63 175.888 175.888 175.058 0.830 25638 11498 1 19 . 1 1 63 63 THR CA C 63 61.684 61.684 61.425 0.258 25638 11499 1 19 . 1 1 63 63 THR CB C 63 70.092 70.092 69.514 0.578 25638 11500 1 19 . 1 1 63 63 THR H H 63 8.471 8.471 8.576 -0.105 25638 11501 1 19 . 1 1 64 64 ASN N N 64 123.204 123.204 122.069 1.135 25638 11502 1 19 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.961 0.210 25638 11503 1 19 . 1 1 64 64 ASN C C 64 175.495 175.495 174.900 0.595 25638 11504 1 19 . 1 1 64 64 ASN CA C 64 51.137 51.137 52.349 -1.212 25638 11505 1 19 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.860 0.820 25638 11506 1 19 . 1 1 64 64 ASN H H 64 7.993 7.993 8.264 -0.271 25638 11507 1 19 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.281 -0.011 25638 11508 1 19 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.708 -0.016 25638 11509 1 19 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.120 0.279 25638 11510 1 19 . 1 1 66 66 GLU N N 66 118.060 118.060 118.981 -0.921 25638 11511 1 19 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.166 -0.034 25638 11512 1 19 . 1 1 66 66 GLU C C 66 180.409 180.409 179.046 1.363 25638 11513 1 19 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.614 -0.240 25638 11514 1 19 . 1 1 66 66 GLU CB C 66 28.803 28.803 29.062 -0.259 25638 11515 1 19 . 1 1 66 66 GLU H H 66 8.297 8.297 8.805 -0.508 25638 11516 1 19 . 1 1 67 67 GLN N N 67 120.531 120.531 119.090 1.441 25638 11517 1 19 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.958 0.209 25638 11518 1 19 . 1 1 67 67 GLN C C 67 179.072 179.072 178.709 0.363 25638 11519 1 19 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.184 -0.356 25638 11520 1 19 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.470 0.773 25638 11521 1 19 . 1 1 67 67 GLN H H 67 7.738 7.738 8.266 -0.528 25638 11522 1 19 . 1 1 68 68 ILE N N 68 119.632 119.632 117.492 2.140 25638 11523 1 19 . 1 1 68 68 ILE HA H 68 3.548 3.548 4.030 -0.482 25638 11524 1 19 . 1 1 68 68 ILE C C 68 178.109 178.109 178.099 0.010 25638 11525 1 19 . 1 1 68 68 ILE CA C 68 66.597 66.597 64.789 1.808 25638 11526 1 19 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.562 1.377 25638 11527 1 19 . 1 1 68 68 ILE H H 68 7.956 7.956 8.258 -0.302 25638 11528 1 19 . 1 1 69 69 LYS N N 69 117.236 117.236 119.629 -2.393 25638 11529 1 19 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.134 -0.205 25638 11530 1 19 . 1 1 69 69 LYS C C 69 180.271 180.271 179.294 0.977 25638 11531 1 19 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.238 0.683 25638 11532 1 19 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.499 0.108 25638 11533 1 19 . 1 1 69 69 LYS H H 69 7.665 7.665 8.058 -0.393 25638 11534 1 19 . 1 1 70 70 GLN N N 70 118.748 118.748 121.378 -2.630 25638 11535 1 19 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.159 -0.304 25638 11536 1 19 . 1 1 70 70 GLN C C 70 179.131 179.131 177.796 1.335 25638 11537 1 19 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.656 -0.404 25638 11538 1 19 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.246 0.431 25638 11539 1 19 . 1 1 70 70 GLN H H 70 7.787 7.787 8.497 -0.710 25638 11540 1 19 . 1 1 71 71 TRP N N 71 118.896 118.896 120.442 -1.546 25638 11541 1 19 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.245 -0.202 25638 11542 1 19 . 1 1 71 71 TRP C C 71 178.679 178.679 178.540 0.139 25638 11543 1 19 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.275 1.674 25638 11544 1 19 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.307 -1.063 25638 11545 1 19 . 1 1 71 71 TRP H H 71 8.374 8.374 8.480 -0.106 25638 11546 1 19 . 1 1 72 72 ARG N N 72 122.698 122.698 119.635 3.063 25638 11547 1 19 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.964 -0.145 25638 11548 1 19 . 1 1 72 72 ARG C C 72 178.561 178.561 177.928 0.633 25638 11549 1 19 . 1 1 72 72 ARG CA C 72 61.032 61.032 60.801 0.231 25638 11550 1 19 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.082 0.187 25638 11551 1 19 . 1 1 72 72 ARG H H 72 8.808 8.808 8.265 0.543 25638 11552 1 19 . 1 1 73 73 LYS N N 73 116.946 116.946 117.454 -0.508 25638 11553 1 19 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.212 -0.032 25638 11554 1 19 . 1 1 73 73 LYS C C 73 179.622 179.622 178.880 0.742 25638 11555 1 19 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.389 0.146 25638 11556 1 19 . 1 1 73 73 LYS CB C 73 31.715 31.715 31.794 -0.079 25638 11557 1 19 . 1 1 73 73 LYS H H 73 7.380 7.380 7.871 -0.491 25638 11558 1 19 . 1 1 74 74 ASN N N 74 116.434 116.434 120.001 -3.567 25638 11559 1 19 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.562 -0.285 25638 11560 1 19 . 1 1 74 74 ASN C C 74 178.148 178.148 178.206 -0.058 25638 11561 1 19 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.055 -0.192 25638 11562 1 19 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.094 -0.061 25638 11563 1 19 . 1 1 74 74 ASN H H 74 8.309 8.309 8.535 -0.226 25638 11564 1 19 . 1 1 75 75 LEU N N 75 118.967 118.967 122.022 -3.055 25638 11565 1 19 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.232 -0.107 25638 11566 1 19 . 1 1 75 75 LEU C C 75 180.251 180.251 178.908 1.343 25638 11567 1 19 . 1 1 75 75 LEU CA C 75 58.827 58.827 59.208 -0.381 25638 11568 1 19 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.726 -0.742 25638 11569 1 19 . 1 1 75 75 LEU H H 75 8.635 8.635 8.675 -0.040 25638 11570 1 19 . 1 1 76 76 TRP N N 76 118.544 118.544 119.552 -1.008 25638 11571 1 19 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.295 0.284 25638 11572 1 19 . 1 1 76 76 TRP C C 76 180.900 180.900 179.298 1.602 25638 11573 1 19 . 1 1 76 76 TRP CA C 76 61.416 61.416 61.132 0.284 25638 11574 1 19 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.367 -0.269 25638 11575 1 19 . 1 1 76 76 TRP H H 76 8.006 8.006 7.945 0.061 25638 11576 1 19 . 1 1 77 77 ILE N N 77 121.982 121.982 120.273 1.709 25638 11577 1 19 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.717 0.114 25638 11578 1 19 . 1 1 77 77 ILE C C 77 181.254 181.254 177.897 3.357 25638 11579 1 19 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.709 0.332 25638 11580 1 19 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.187 -0.837 25638 11581 1 19 . 1 1 77 77 ILE H H 77 8.893 8.893 8.860 0.033 25638 11582 1 19 . 1 1 78 78 PHE N N 78 123.458 123.458 120.864 2.594 25638 11583 1 19 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.237 -0.194 25638 11584 1 19 . 1 1 78 78 PHE C C 78 177.618 177.618 177.341 0.277 25638 11585 1 19 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.682 1.397 25638 11586 1 19 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.014 -0.304 25638 11587 1 19 . 1 1 78 78 PHE H H 78 8.753 8.753 8.225 0.528 25638 11588 1 19 . 1 1 79 79 VAL N N 79 117.726 117.726 117.487 0.239 25638 11589 1 19 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.486 -0.007 25638 11590 1 19 . 1 1 79 79 VAL C C 79 178.876 178.876 178.556 0.320 25638 11591 1 19 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.267 0.546 25638 11592 1 19 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.130 0.443 25638 11593 1 19 . 1 1 79 79 VAL H H 79 8.232 8.232 8.311 -0.079 25638 11594 1 19 . 1 1 80 80 SER N N 80 114.568 114.568 115.590 -1.022 25638 11595 1 19 . 1 1 80 80 SER HA H 80 4.339 4.339 4.452 -0.113 25638 11596 1 19 . 1 1 80 80 SER C C 80 176.261 176.261 176.775 -0.514 25638 11597 1 19 . 1 1 80 80 SER CA C 80 61.337 61.337 61.058 0.279 25638 11598 1 19 . 1 1 80 80 SER CB C 80 62.712 62.712 63.170 -0.458 25638 11599 1 19 . 1 1 80 80 SER H H 80 8.353 8.353 8.321 0.032 25638 11600 1 19 . 1 1 81 81 LYS N N 81 121.180 121.180 122.066 -0.886 25638 11601 1 19 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.069 0.129 25638 11602 1 19 . 1 1 81 81 LYS C C 81 178.305 178.305 178.835 -0.530 25638 11603 1 19 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.831 -1.727 25638 11604 1 19 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.318 -1.659 25638 11605 1 19 . 1 1 81 81 LYS H H 81 7.481 7.481 7.681 -0.200 25638 11606 1 19 . 1 1 82 82 PHE N N 82 117.950 117.950 118.313 -0.363 25638 11607 1 19 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.721 -0.324 25638 11608 1 19 . 1 1 82 82 PHE C C 82 174.787 174.787 175.483 -0.696 25638 11609 1 19 . 1 1 82 82 PHE CA C 82 58.398 58.398 58.390 0.008 25638 11610 1 19 . 1 1 82 82 PHE CB C 82 38.937 38.937 37.186 1.751 25638 11611 1 19 . 1 1 82 82 PHE H H 82 8.256 8.256 7.887 0.369 25638 11612 1 19 . 1 1 83 83 THR N N 83 109.995 109.995 111.551 -1.556 25638 11613 1 19 . 1 1 83 83 THR HA H 83 4.988 4.988 4.785 0.203 25638 11614 1 19 . 1 1 83 83 THR C C 83 174.138 174.138 173.399 0.739 25638 11615 1 19 . 1 1 83 83 THR CA C 83 59.609 59.609 59.844 -0.235 25638 11616 1 19 . 1 1 83 83 THR CB C 83 71.080 71.080 70.739 0.341 25638 11617 1 19 . 1 1 83 83 THR H H 83 7.665 7.665 7.516 0.149 25638 11618 1 19 . 1 1 84 84 GLU N N 84 119.416 119.416 121.289 -1.873 25638 11619 1 19 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.219 0.176 25638 11620 1 19 . 1 1 84 84 GLU C C 84 177.912 177.912 176.399 1.513 25638 11621 1 19 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.625 -1.129 25638 11622 1 19 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.549 -0.027 25638 11623 1 19 . 1 1 84 84 GLU H H 84 8.409 8.409 8.574 -0.165 25638 11624 1 19 . 1 1 85 85 PHE N N 85 120.265 120.265 121.193 -0.928 25638 11625 1 19 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.592 0.299 25638 11626 1 19 . 1 1 85 85 PHE C C 85 175.809 175.809 175.586 0.223 25638 11627 1 19 . 1 1 85 85 PHE CA C 85 56.109 56.109 57.251 -1.142 25638 11628 1 19 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.250 1.938 25638 11629 1 19 . 1 1 85 85 PHE H H 85 8.210 8.210 7.521 0.689 25638 11630 1 19 . 1 1 86 86 ASP N N 86 118.128 118.128 125.044 -6.916 25638 11631 1 19 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.619 0.117 25638 11632 1 19 . 1 1 86 86 ASP C C 86 176.986 176.986 177.291 -0.305 25638 11633 1 19 . 1 1 86 86 ASP CA C 86 53.183 53.183 54.938 -1.755 25638 11634 1 19 . 1 1 86 86 ASP CB C 86 42.533 42.533 43.005 -0.472 25638 11635 1 19 . 1 1 86 86 ASP H H 86 8.119 8.119 8.750 -0.631 25638 11636 1 19 . 1 1 87 87 ALA N N 87 121.912 121.912 128.014 -6.102 25638 11637 1 19 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.122 -0.133 25638 11638 1 19 . 1 1 87 87 ALA C C 87 180.378 180.378 179.418 0.960 25638 11639 1 19 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.416 0.659 25638 11640 1 19 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.931 1.276 25638 11641 1 19 . 1 1 87 87 ALA H H 87 8.757 8.757 8.632 0.125 25638 11642 1 19 . 1 1 88 88 ARG N N 88 117.072 117.072 117.270 -0.198 25638 11643 1 19 . 1 1 88 88 ARG HA H 88 3.956 3.956 4.062 -0.106 25638 11644 1 19 . 1 1 88 88 ARG C C 88 179.975 179.975 177.023 2.952 25638 11645 1 19 . 1 1 88 88 ARG CA C 88 59.252 59.252 58.896 0.356 25638 11646 1 19 . 1 1 88 88 ARG CB C 88 29.613 29.613 30.478 -0.865 25638 11647 1 19 . 1 1 88 88 ARG H H 88 8.147 8.147 8.287 -0.140 25638 11648 1 19 . 1 1 89 89 LYS N N 89 121.809 121.809 115.431 6.378 25638 11649 1 19 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.418 -0.509 25638 11650 1 19 . 1 1 89 89 LYS C C 89 179.505 179.505 178.180 1.325 25638 11651 1 19 . 1 1 89 89 LYS CA C 89 58.986 58.986 57.209 1.777 25638 11652 1 19 . 1 1 89 89 LYS CB C 89 32.334 32.334 33.642 -1.308 25638 11653 1 19 . 1 1 89 89 LYS H H 89 8.022 8.022 7.561 0.461 25638 11654 1 19 . 1 1 90 90 LEU N N 90 118.429 118.429 122.822 -4.393 25638 11655 1 19 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.808 -0.064 25638 11656 1 19 . 1 1 90 90 LEU C C 90 178.069 178.069 177.857 0.212 25638 11657 1 19 . 1 1 90 90 LEU CA C 90 58.043 58.043 59.308 -1.265 25638 11658 1 19 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.975 0.487 25638 11659 1 19 . 1 1 90 90 LEU H H 90 8.139 8.139 8.895 -0.756 25638 11660 1 19 . 1 1 91 91 HIS N N 91 117.214 117.214 116.038 1.176 25638 11661 1 19 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.250 0.729 25638 11662 1 19 . 1 1 91 91 HIS C C 91 178.069 178.069 176.971 1.098 25638 11663 1 19 . 1 1 91 91 HIS CA C 91 58.178 58.178 57.670 0.508 25638 11664 1 19 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.239 0.189 25638 11665 1 19 . 1 1 91 91 HIS H H 91 7.379 7.379 7.530 -0.151 25638 11666 1 19 . 1 1 92 92 LYS N N 92 118.466 118.466 120.318 -1.852 25638 11667 1 19 . 1 1 92 92 LYS HA H 92 3.635 3.635 4.004 -0.369 25638 11668 1 19 . 1 1 92 92 LYS C C 92 180.310 180.310 178.658 1.652 25638 11669 1 19 . 1 1 92 92 LYS CA C 92 59.924 59.924 58.849 1.075 25638 11670 1 19 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.539 -0.174 25638 11671 1 19 . 1 1 92 92 LYS H H 92 7.599 7.599 7.397 0.202 25638 11672 1 19 . 1 1 93 93 LEU N N 93 120.752 120.752 121.330 -0.578 25638 11673 1 19 . 1 1 93 93 LEU HA H 93 3.983 3.983 4.031 -0.048 25638 11674 1 19 . 1 1 93 93 LEU C C 93 181.269 181.269 179.128 2.141 25638 11675 1 19 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.425 -0.425 25638 11676 1 19 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.728 0.611 25638 11677 1 19 . 1 1 93 93 LEU H H 93 8.351 8.351 8.606 -0.255 25638 11678 1 19 . 1 1 94 94 TYR N N 94 122.311 122.311 118.856 3.455 25638 11679 1 19 . 1 1 94 94 TYR HA H 94 4.136 4.136 3.940 0.196 25638 11680 1 19 . 1 1 94 94 TYR C C 94 176.789 176.789 177.449 -0.660 25638 11681 1 19 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.397 -0.097 25638 11682 1 19 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.272 0.306 25638 11683 1 19 . 1 1 94 94 TYR H H 94 8.290 8.290 8.820 -0.530 25638 11684 1 19 . 1 1 95 95 LYS N N 95 117.851 117.851 118.631 -0.780 25638 11685 1 19 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.686 -0.260 25638 11686 1 19 . 1 1 95 95 LYS C C 95 180.684 180.684 178.987 1.697 25638 11687 1 19 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.542 -0.163 25638 11688 1 19 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.040 -0.792 25638 11689 1 19 . 1 1 95 95 LYS H H 95 8.180 8.180 7.881 0.299 25638 11690 1 19 . 1 1 96 96 HIS N N 96 117.611 117.611 116.925 0.686 25638 11691 1 19 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.322 -0.109 25638 11692 1 19 . 1 1 96 96 HIS C C 96 178.266 178.266 177.153 1.113 25638 11693 1 19 . 1 1 96 96 HIS CA C 96 59.274 59.274 58.996 0.278 25638 11694 1 19 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.206 0.997 25638 11695 1 19 . 1 1 96 96 HIS H H 96 8.049 8.049 8.114 -0.065 25638 11696 1 19 . 1 1 97 97 ALA N N 97 122.617 122.617 121.850 0.767 25638 11697 1 19 . 1 1 97 97 ALA HA H 97 4.091 4.091 3.706 0.385 25638 11698 1 19 . 1 1 97 97 ALA C C 97 181.352 181.352 179.517 1.835 25638 11699 1 19 . 1 1 97 97 ALA CA C 97 54.645 54.645 54.446 0.199 25638 11700 1 19 . 1 1 97 97 ALA CB C 97 17.769 17.769 17.977 -0.209 25638 11701 1 19 . 1 1 97 97 ALA H H 97 8.104 8.104 7.833 0.271 25638 11702 1 19 . 1 1 98 98 ILE N N 98 111.626 111.626 119.327 -7.701 25638 11703 1 19 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.547 0.562 25638 11704 1 19 . 1 1 98 98 ILE C C 98 178.561 178.561 177.322 1.239 25638 11705 1 19 . 1 1 98 98 ILE CA C 98 62.730 62.730 63.364 -0.634 25638 11706 1 19 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.741 -0.095 25638 11707 1 19 . 1 1 98 98 ILE H H 98 7.636 7.636 8.129 -0.493 25638 11708 1 19 . 1 1 99 99 LYS N N 99 124.158 124.158 120.796 3.362 25638 11709 1 19 . 1 1 99 99 LYS HA H 99 4.045 4.045 4.168 -0.123 25638 11710 1 19 . 1 1 99 99 LYS C C 99 179.111 179.111 178.523 0.588 25638 11711 1 19 . 1 1 99 99 LYS CA C 99 59.070 59.070 58.735 0.335 25638 11712 1 19 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.338 -0.166 25638 11713 1 19 . 1 1 99 99 LYS H H 99 7.359 7.359 7.761 -0.402 25638 11714 1 19 . 1 1 100 100 LYS N N 100 118.333 118.333 118.018 0.315 25638 11715 1 19 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.119 0.024 25638 11716 1 19 . 1 1 100 100 LYS C C 100 179.111 179.111 178.675 0.436 25638 11717 1 19 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.558 -1.346 25638 11718 1 19 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.611 -0.869 25638 11719 1 19 . 1 1 100 100 LYS H H 100 7.937 7.937 8.052 -0.115 25638 11720 1 19 . 1 1 101 101 ARG N N 101 121.125 121.125 117.057 4.068 25638 11721 1 19 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.255 -0.126 25638 11722 1 19 . 1 1 101 101 ARG C C 101 178.541 178.541 177.428 1.113 25638 11723 1 19 . 1 1 101 101 ARG CA C 101 58.166 58.166 57.080 1.086 25638 11724 1 19 . 1 1 101 101 ARG CB C 101 30.591 30.591 31.183 -0.592 25638 11725 1 19 . 1 1 101 101 ARG H H 101 7.895 7.895 7.629 0.266 25638 11726 1 19 . 1 1 102 102 GLN N N 102 119.756 119.756 118.581 1.175 25638 11727 1 19 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.520 -0.313 25638 11728 1 19 . 1 1 102 102 GLN C C 102 178.129 178.129 174.334 3.795 25638 11729 1 19 . 1 1 102 102 GLN CA C 102 56.912 56.912 54.745 2.167 25638 11730 1 19 . 1 1 102 102 GLN CB C 102 28.921 28.921 30.203 -1.282 25638 11731 1 19 . 1 1 102 102 GLN H H 102 8.167 8.167 7.944 0.223 25638 11732 1 19 . 1 1 103 103 GLU N N 103 120.553 120.553 124.495 -3.942 25638 11733 1 19 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.200 0.000 25638 11734 1 19 . 1 1 103 103 GLU C C 103 178.286 178.286 175.917 2.369 25638 11735 1 19 . 1 1 103 103 GLU CA C 103 57.505 57.505 57.698 -0.193 25638 11736 1 19 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.839 0.085 25638 11737 1 19 . 1 1 103 103 GLU H H 103 8.189 8.189 8.706 -0.517 25638 11738 1 19 . 1 1 104 104 SER N N 104 115.381 115.381 122.368 -6.987 25638 11739 1 19 . 1 1 104 104 SER HA H 104 4.431 4.431 4.456 -0.025 25638 11740 1 19 . 1 1 104 104 SER C C 104 175.750 175.750 175.871 -0.121 25638 11741 1 19 . 1 1 104 104 SER CA C 104 59.154 59.154 58.480 0.674 25638 11742 1 19 . 1 1 104 104 SER CB C 104 63.456 63.456 64.147 -0.691 25638 11743 1 19 . 1 1 104 104 SER H H 104 8.099 8.099 8.732 -0.633 25638 11744 1 19 . 1 1 105 105 GLN N N 105 121.635 121.635 118.743 2.892 25638 11745 1 19 . 1 1 105 105 GLN HA H 105 4.335 4.335 3.962 0.373 25638 11746 1 19 . 1 1 105 105 GLN C C 105 177.008 177.008 175.386 1.622 25638 11747 1 19 . 1 1 105 105 GLN CA C 105 56.053 56.053 57.513 -1.460 25638 11748 1 19 . 1 1 105 105 GLN CB C 105 29.128 29.128 27.378 1.750 25638 11749 1 19 . 1 1 105 105 GLN H H 105 8.170 8.170 8.670 -0.500 25638 11750 1 19 . 1 1 106 106 GLN N N 106 120.850 120.850 119.140 1.710 25638 11751 1 19 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.261 0.070 25638 11752 1 19 . 1 1 106 106 GLN C C 106 176.713 176.713 175.655 1.058 25638 11753 1 19 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.176 0.775 25638 11754 1 19 . 1 1 106 106 GLN CB C 106 29.254 29.254 29.186 0.068 25638 11755 1 19 . 1 1 106 106 GLN H H 106 8.281 8.281 7.807 0.474 25638 11756 1 19 . 1 1 107 107 ASN N N 107 120.271 120.271 120.012 0.259 25638 11757 1 19 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.590 0.200 25638 11758 1 19 . 1 1 107 107 ASN C C 107 175.337 175.337 174.906 0.431 25638 11759 1 19 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.570 -0.217 25638 11760 1 19 . 1 1 107 107 ASN CB C 107 39.094 39.094 37.321 1.773 25638 11761 1 19 . 1 1 107 107 ASN H H 107 8.434 8.434 8.476 -0.042 25638 11762 1 20 . 1 1 2 2 PRO HA H 2 4.445 4.445 4.574 -0.129 25638 11763 1 20 . 1 1 2 2 PRO C C 2 178.089 178.089 176.441 1.648 25638 11764 1 20 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.480 0.826 25638 11765 1 20 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.674 -0.206 25638 11766 1 20 . 1 1 3 3 LEU N N 3 122.239 122.239 122.161 0.078 25638 11767 1 20 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.318 -0.021 25638 11768 1 20 . 1 1 3 3 LEU C C 3 178.876 178.876 178.336 0.540 25638 11769 1 20 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.551 0.978 25638 11770 1 20 . 1 1 3 3 LEU CB C 3 42.150 42.150 42.732 -0.582 25638 11771 1 20 . 1 1 3 3 LEU H H 3 8.522 8.522 8.261 0.262 25638 11772 1 20 . 1 1 4 4 GLY N N 4 109.572 109.572 108.019 1.553 25638 11773 1 20 . 1 1 4 4 GLY C C 4 174.630 174.630 173.397 1.233 25638 11774 1 20 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.454 0.879 25638 11775 1 20 . 1 1 4 4 GLY H H 4 8.349 8.349 8.327 0.022 25638 11776 1 20 . 1 1 5 5 SER N N 5 115.481 115.481 116.209 -0.728 25638 11777 1 20 . 1 1 5 5 SER HA H 5 4.513 4.513 4.154 0.359 25638 11778 1 20 . 1 1 5 5 SER C C 5 174.667 174.667 173.243 1.424 25638 11779 1 20 . 1 1 5 5 SER CA C 5 57.801 57.801 58.662 -0.861 25638 11780 1 20 . 1 1 5 5 SER CB C 5 64.536 64.536 63.411 1.125 25638 11781 1 20 . 1 1 5 5 SER H H 5 8.119 8.119 8.102 0.017 25638 11782 1 20 . 1 1 6 6 LEU N N 6 121.895 121.895 124.545 -2.650 25638 11783 1 20 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.373 0.281 25638 11784 1 20 . 1 1 6 6 LEU C C 6 177.932 177.932 176.832 1.100 25638 11785 1 20 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.559 -0.637 25638 11786 1 20 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.324 2.282 25638 11787 1 20 . 1 1 6 6 LEU H H 6 8.319 8.319 8.275 0.044 25638 11788 1 20 . 1 1 7 7 ASP N N 7 121.978 121.978 122.895 -0.917 25638 11789 1 20 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.645 -0.039 25638 11790 1 20 . 1 1 7 7 ASP C C 7 176.477 176.477 177.308 -0.831 25638 11791 1 20 . 1 1 7 7 ASP CA C 7 53.218 53.218 53.815 -0.597 25638 11792 1 20 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.877 -1.919 25638 11793 1 20 . 1 1 7 7 ASP H H 7 8.318 8.318 8.388 -0.070 25638 11794 1 20 . 1 1 8 8 GLN N N 8 119.885 119.885 120.126 -0.241 25638 11795 1 20 . 1 1 8 8 GLN HA H 8 4.086 4.086 3.945 0.141 25638 11796 1 20 . 1 1 8 8 GLN C C 8 179.710 179.710 178.191 1.519 25638 11797 1 20 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.764 0.061 25638 11798 1 20 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.751 -0.267 25638 11799 1 20 . 1 1 8 8 GLN H H 8 8.746 8.746 8.682 0.064 25638 11800 1 20 . 1 1 9 9 LYS N N 9 120.863 120.863 118.320 2.543 25638 11801 1 20 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.159 0.038 25638 11802 1 20 . 1 1 9 9 LYS C C 9 180.333 180.333 178.887 1.446 25638 11803 1 20 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.698 -0.324 25638 11804 1 20 . 1 1 9 9 LYS CB C 9 31.957 31.957 32.177 -0.220 25638 11805 1 20 . 1 1 9 9 LYS H H 9 8.454 8.454 7.859 0.595 25638 11806 1 20 . 1 1 10 10 THR N N 10 118.654 118.654 116.825 1.829 25638 11807 1 20 . 1 1 10 10 THR HA H 10 3.985 3.985 4.229 -0.244 25638 11808 1 20 . 1 1 10 10 THR C C 10 177.904 177.904 176.680 1.224 25638 11809 1 20 . 1 1 10 10 THR CA C 10 67.618 67.618 66.630 0.988 25638 11810 1 20 . 1 1 10 10 THR CB C 10 67.523 67.523 68.245 -0.722 25638 11811 1 20 . 1 1 10 10 THR H H 10 8.531 8.531 8.084 0.447 25638 11812 1 20 . 1 1 11 11 PHE N N 11 123.876 123.876 122.906 0.970 25638 11813 1 20 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.248 -0.254 25638 11814 1 20 . 1 1 11 11 PHE C C 11 177.676 177.676 177.433 0.243 25638 11815 1 20 . 1 1 11 11 PHE CA C 11 63.219 63.219 62.173 1.046 25638 11816 1 20 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.987 0.359 25638 11817 1 20 . 1 1 11 11 PHE H H 11 9.296 9.296 8.814 0.482 25638 11818 1 20 . 1 1 12 12 SER N N 12 114.219 114.219 115.660 -1.441 25638 11819 1 20 . 1 1 12 12 SER HA H 12 4.151 4.151 4.190 -0.039 25638 11820 1 20 . 1 1 12 12 SER C C 12 177.922 177.922 176.497 1.425 25638 11821 1 20 . 1 1 12 12 SER CA C 12 62.899 62.899 61.885 1.014 25638 11822 1 20 . 1 1 12 12 SER CB C 12 63.194 63.194 63.057 0.137 25638 11823 1 20 . 1 1 12 12 SER H H 12 8.306 8.306 7.649 0.657 25638 11824 1 20 . 1 1 13 13 ILE N N 13 123.613 123.613 122.602 1.011 25638 11825 1 20 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.784 0.053 25638 11826 1 20 . 1 1 13 13 ILE C C 13 179.563 179.563 177.466 2.097 25638 11827 1 20 . 1 1 13 13 ILE CA C 13 65.100 65.100 62.795 2.305 25638 11828 1 20 . 1 1 13 13 ILE CB C 13 38.310 38.310 36.606 1.704 25638 11829 1 20 . 1 1 13 13 ILE H H 13 7.897 7.897 8.373 -0.476 25638 11830 1 20 . 1 1 14 14 CYS N N 14 118.125 118.125 117.933 0.192 25638 11831 1 20 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.648 -0.097 25638 11832 1 20 . 1 1 14 14 CYS C C 14 176.010 176.010 176.469 -0.459 25638 11833 1 20 . 1 1 14 14 CYS CA C 14 64.572 64.572 62.067 2.505 25638 11834 1 20 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.647 1.074 25638 11835 1 20 . 1 1 14 14 CYS H H 14 8.329 8.329 8.041 0.288 25638 11836 1 20 . 1 1 15 15 LYS N N 15 118.532 118.532 120.903 -2.371 25638 11837 1 20 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.579 -0.430 25638 11838 1 20 . 1 1 15 15 LYS C C 15 179.846 179.846 177.868 1.978 25638 11839 1 20 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.413 0.319 25638 11840 1 20 . 1 1 15 15 LYS CB C 15 32.092 32.092 32.062 0.030 25638 11841 1 20 . 1 1 15 15 LYS H H 15 8.025 8.025 7.263 0.762 25638 11842 1 20 . 1 1 16 16 GLU N N 16 118.138 118.138 116.208 1.930 25638 11843 1 20 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.036 -0.009 25638 11844 1 20 . 1 1 16 16 GLU C C 16 180.959 180.959 179.626 1.333 25638 11845 1 20 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.569 0.573 25638 11846 1 20 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.711 -0.598 25638 11847 1 20 . 1 1 16 16 GLU H H 16 7.403 7.403 7.633 -0.230 25638 11848 1 20 . 1 1 17 17 ARG N N 17 117.969 117.969 118.416 -0.447 25638 11849 1 20 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.021 0.042 25638 11850 1 20 . 1 1 17 17 ARG C C 17 179.544 179.544 178.621 0.923 25638 11851 1 20 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.359 0.796 25638 11852 1 20 . 1 1 17 17 ARG CB C 17 29.967 29.967 29.751 0.216 25638 11853 1 20 . 1 1 17 17 ARG H H 17 8.325 8.325 8.264 0.061 25638 11854 1 20 . 1 1 18 18 MET N N 18 113.332 113.332 116.778 -3.446 25638 11855 1 20 . 1 1 18 18 MET HA H 18 4.561 4.561 4.450 0.111 25638 11856 1 20 . 1 1 18 18 MET C C 18 176.890 176.890 176.781 0.109 25638 11857 1 20 . 1 1 18 18 MET CA C 18 53.377 53.377 53.334 0.043 25638 11858 1 20 . 1 1 18 18 MET CB C 18 29.724 29.724 30.512 -0.788 25638 11859 1 20 . 1 1 18 18 MET H H 18 7.718 7.718 8.171 -0.453 25638 11860 1 20 . 1 1 19 19 ARG N N 19 123.288 123.288 122.047 1.241 25638 11861 1 20 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.032 0.119 25638 11862 1 20 . 1 1 19 19 ARG C C 19 176.556 176.556 176.032 0.524 25638 11863 1 20 . 1 1 19 19 ARG CA C 19 61.133 61.133 62.167 -1.034 25638 11864 1 20 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.090 0.168 25638 11865 1 20 . 1 1 19 19 ARG H H 19 7.152 7.152 7.334 -0.182 25638 11866 1 20 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.176 0.167 25638 11867 1 20 . 1 1 20 20 PRO CA C 20 65.997 65.997 64.907 1.089 25638 11868 1 20 . 1 1 20 20 PRO CB C 20 31.840 31.840 30.911 0.929 25638 11869 1 20 . 1 1 21 21 VAL N N 21 105.802 105.802 111.193 -5.391 25638 11870 1 20 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.482 0.339 25638 11871 1 20 . 1 1 21 21 VAL C C 21 176.261 176.261 176.710 -0.449 25638 11872 1 20 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.824 -1.721 25638 11873 1 20 . 1 1 21 21 VAL CB C 21 30.856 30.856 32.480 -1.625 25638 11874 1 20 . 1 1 21 21 VAL H H 21 7.352 7.352 7.429 -0.077 25638 11875 1 20 . 1 1 22 22 LYS N N 22 122.802 122.802 123.300 -0.498 25638 11876 1 20 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.826 -0.062 25638 11877 1 20 . 1 1 22 22 LYS C C 22 178.758 178.758 178.242 0.516 25638 11878 1 20 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.484 -0.152 25638 11879 1 20 . 1 1 22 22 LYS CB C 22 32.214 32.214 31.962 0.252 25638 11880 1 20 . 1 1 22 22 LYS H H 22 7.640 7.640 7.615 0.025 25638 11881 1 20 . 1 1 23 23 ALA N N 23 120.067 120.067 121.418 -1.351 25638 11882 1 20 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.044 0.031 25638 11883 1 20 . 1 1 23 23 ALA C C 23 180.998 180.998 179.261 1.737 25638 11884 1 20 . 1 1 23 23 ALA CA C 23 55.159 55.159 54.929 0.230 25638 11885 1 20 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.780 0.134 25638 11886 1 20 . 1 1 23 23 ALA H H 23 8.571 8.571 8.437 0.134 25638 11887 1 20 . 1 1 24 24 ALA N N 24 121.068 121.068 120.973 0.095 25638 11888 1 20 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.001 0.161 25638 11889 1 20 . 1 1 24 24 ALA C C 24 180.271 180.271 179.384 0.887 25638 11890 1 20 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.415 0.341 25638 11891 1 20 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.160 0.033 25638 11892 1 20 . 1 1 24 24 ALA H H 24 7.320 7.320 7.856 -0.536 25638 11893 1 20 . 1 1 25 25 LEU N N 25 117.214 117.214 118.973 -1.759 25638 11894 1 20 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.898 -0.187 25638 11895 1 20 . 1 1 25 25 LEU C C 25 179.524 179.524 179.517 0.007 25638 11896 1 20 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.053 -0.102 25638 11897 1 20 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.689 -1.059 25638 11898 1 20 . 1 1 25 25 LEU H H 25 7.698 7.698 8.333 -0.635 25638 11899 1 20 . 1 1 26 26 LYS N N 26 116.336 116.336 118.664 -2.328 25638 11900 1 20 . 1 1 26 26 LYS HA H 26 4.163 4.163 3.997 0.166 25638 11901 1 20 . 1 1 26 26 LYS C C 26 179.308 179.308 178.592 0.716 25638 11902 1 20 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.289 -0.875 25638 11903 1 20 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.623 -0.457 25638 11904 1 20 . 1 1 26 26 LYS H H 26 7.675 7.675 7.747 -0.072 25638 11905 1 20 . 1 1 27 27 GLN N N 27 116.118 116.118 117.515 -1.397 25638 11906 1 20 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.233 0.042 25638 11907 1 20 . 1 1 27 27 GLN C C 27 178.679 178.679 178.747 -0.068 25638 11908 1 20 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.312 -1.505 25638 11909 1 20 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.360 1.660 25638 11910 1 20 . 1 1 27 27 GLN H H 27 7.520 7.520 8.339 -0.819 25638 11911 1 20 . 1 1 28 28 LEU N N 28 121.335 121.335 117.144 4.191 25638 11912 1 20 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.293 -0.140 25638 11913 1 20 . 1 1 28 28 LEU C C 28 178.168 178.168 177.542 0.626 25638 11914 1 20 . 1 1 28 28 LEU CA C 28 58.042 58.042 55.540 2.502 25638 11915 1 20 . 1 1 28 28 LEU CB C 28 41.911 41.911 41.561 0.350 25638 11916 1 20 . 1 1 28 28 LEU H H 28 7.506 7.506 7.722 -0.216 25638 11917 1 20 . 1 1 29 29 ASP N N 29 117.486 117.486 120.167 -2.681 25638 11918 1 20 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.743 0.171 25638 11919 1 20 . 1 1 29 29 ASP C C 29 176.772 176.772 175.970 0.802 25638 11920 1 20 . 1 1 29 29 ASP CA C 29 54.126 54.126 55.087 -0.962 25638 11921 1 20 . 1 1 29 29 ASP CB C 29 42.715 42.715 43.179 -0.464 25638 11922 1 20 . 1 1 29 29 ASP H H 29 8.120 8.120 8.287 -0.167 25638 11923 1 20 . 1 1 30 30 ARG N N 30 119.107 119.107 120.386 -1.279 25638 11924 1 20 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.799 -0.038 25638 11925 1 20 . 1 1 30 30 ARG C C 30 173.824 173.824 173.884 -0.060 25638 11926 1 20 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.016 0.215 25638 11927 1 20 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.787 -0.476 25638 11928 1 20 . 1 1 30 30 ARG H H 30 7.701 7.701 8.369 -0.668 25638 11929 1 20 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.689 -0.423 25638 11930 1 20 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.304 0.641 25638 11931 1 20 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.572 -0.558 25638 11932 1 20 . 1 1 32 32 GLU N N 32 122.391 122.391 121.431 0.960 25638 11933 1 20 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.280 -0.092 25638 11934 1 20 . 1 1 32 32 GLU C C 32 177.401 177.401 176.003 1.398 25638 11935 1 20 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.336 0.053 25638 11936 1 20 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.818 -0.630 25638 11937 1 20 . 1 1 32 32 GLU H H 32 8.454 8.454 8.534 -0.080 25638 11938 1 20 . 1 1 33 33 LYS N N 33 123.127 123.127 119.039 4.088 25638 11939 1 20 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.731 -0.555 25638 11940 1 20 . 1 1 33 33 LYS C C 33 178.482 178.482 175.308 3.174 25638 11941 1 20 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.065 1.062 25638 11942 1 20 . 1 1 33 33 LYS CB C 33 32.640 32.640 33.880 -1.240 25638 11943 1 20 . 1 1 33 33 LYS H H 33 8.338 8.338 8.331 0.007 25638 11944 1 20 . 1 1 34 34 GLY N N 34 109.507 109.507 108.838 0.669 25638 11945 1 20 . 1 1 34 34 GLY C C 34 175.475 175.475 173.744 1.731 25638 11946 1 20 . 1 1 34 34 GLY CA C 34 45.318 45.318 44.933 0.385 25638 11947 1 20 . 1 1 34 34 GLY H H 34 8.643 8.643 8.159 0.484 25638 11948 1 20 . 1 1 35 35 LEU N N 35 120.392 120.392 119.981 0.411 25638 11949 1 20 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.675 -0.160 25638 11950 1 20 . 1 1 35 35 LEU C C 35 178.797 178.797 176.708 2.089 25638 11951 1 20 . 1 1 35 35 LEU CA C 35 54.449 54.449 53.020 1.429 25638 11952 1 20 . 1 1 35 35 LEU CB C 35 43.116 43.116 43.787 -0.671 25638 11953 1 20 . 1 1 35 35 LEU H H 35 7.480 7.480 7.590 -0.110 25638 11954 1 20 . 1 1 36 36 SER N N 36 118.629 118.629 115.694 2.935 25638 11955 1 20 . 1 1 36 36 SER HA H 36 4.471 4.471 4.543 -0.072 25638 11956 1 20 . 1 1 36 36 SER C C 36 175.632 175.632 176.081 -0.449 25638 11957 1 20 . 1 1 36 36 SER CA C 36 57.814 57.814 57.842 -0.028 25638 11958 1 20 . 1 1 36 36 SER CB C 36 64.678 64.678 64.023 0.655 25638 11959 1 20 . 1 1 36 36 SER H H 36 8.838 8.838 8.283 0.555 25638 11960 1 20 . 1 1 37 37 GLU N N 37 122.722 122.722 124.181 -1.459 25638 11961 1 20 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.009 0.005 25638 11962 1 20 . 1 1 37 37 GLU C C 37 179.976 179.976 178.832 1.144 25638 11963 1 20 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.483 1.095 25638 11964 1 20 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.506 -0.157 25638 11965 1 20 . 1 1 37 37 GLU H H 37 9.018 9.018 8.992 0.026 25638 11966 1 20 . 1 1 38 38 ARG N N 38 118.418 118.418 119.399 -0.981 25638 11967 1 20 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.327 -0.214 25638 11968 1 20 . 1 1 38 38 ARG C C 38 180.212 180.212 178.627 1.585 25638 11969 1 20 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.322 1.126 25638 11970 1 20 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.044 -0.237 25638 11971 1 20 . 1 1 38 38 ARG H H 38 8.509 8.509 8.422 0.087 25638 11972 1 20 . 1 1 39 39 GLU N N 39 119.730 119.730 119.942 -0.212 25638 11973 1 20 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.005 0.085 25638 11974 1 20 . 1 1 39 39 GLU C C 39 180.529 180.529 178.996 1.533 25638 11975 1 20 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.933 -1.040 25638 11976 1 20 . 1 1 39 39 GLU CB C 39 30.557 30.557 29.124 1.433 25638 11977 1 20 . 1 1 39 39 GLU H H 39 7.761 7.761 8.640 -0.879 25638 11978 1 20 . 1 1 40 40 GLN N N 40 121.665 121.665 117.907 3.758 25638 11979 1 20 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.125 -0.081 25638 11980 1 20 . 1 1 40 40 GLN C C 40 179.760 179.760 178.450 1.310 25638 11981 1 20 . 1 1 40 40 GLN CA C 40 59.370 59.370 59.267 0.103 25638 11982 1 20 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.558 -0.070 25638 11983 1 20 . 1 1 40 40 GLN H H 40 8.871 8.871 8.008 0.863 25638 11984 1 20 . 1 1 41 41 LEU N N 41 121.002 121.002 121.109 -0.107 25638 11985 1 20 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.079 0.148 25638 11986 1 20 . 1 1 41 41 LEU C C 41 180.841 180.841 178.969 1.872 25638 11987 1 20 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.059 0.231 25638 11988 1 20 . 1 1 41 41 LEU CB C 41 41.601 41.601 42.030 -0.429 25638 11989 1 20 . 1 1 41 41 LEU H H 41 8.140 8.140 8.056 0.084 25638 11990 1 20 . 1 1 42 42 GLU N N 42 119.818 119.818 119.090 0.728 25638 11991 1 20 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.885 0.349 25638 11992 1 20 . 1 1 42 42 GLU C C 42 179.603 179.603 178.845 0.758 25638 11993 1 20 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.962 -1.052 25638 11994 1 20 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.424 -0.457 25638 11995 1 20 . 1 1 42 42 GLU H H 42 7.894 7.894 8.292 -0.398 25638 11996 1 20 . 1 1 43 43 HIS N N 43 119.964 119.964 119.525 0.439 25638 11997 1 20 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.267 0.154 25638 11998 1 20 . 1 1 43 43 HIS C C 43 179.140 179.140 178.152 0.988 25638 11999 1 20 . 1 1 43 43 HIS CA C 43 59.813 59.813 59.197 0.616 25638 12000 1 20 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.206 -0.762 25638 12001 1 20 . 1 1 43 43 HIS H H 43 8.437 8.437 8.501 -0.064 25638 12002 1 20 . 1 1 44 44 THR N N 44 117.768 117.768 117.025 0.743 25638 12003 1 20 . 1 1 44 44 THR HA H 44 3.884 3.884 3.967 -0.083 25638 12004 1 20 . 1 1 44 44 THR C C 44 179.008 179.008 176.495 2.513 25638 12005 1 20 . 1 1 44 44 THR CA C 44 67.603 67.603 67.452 0.151 25638 12006 1 20 . 1 1 44 44 THR CB C 44 68.981 68.981 68.738 0.243 25638 12007 1 20 . 1 1 44 44 THR H H 44 8.589 8.589 8.324 0.265 25638 12008 1 20 . 1 1 45 45 ARG N N 45 121.750 121.750 121.818 -0.068 25638 12009 1 20 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.124 -0.245 25638 12010 1 20 . 1 1 45 45 ARG C C 45 178.817 178.817 178.844 -0.027 25638 12011 1 20 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.551 1.308 25638 12012 1 20 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.577 1.139 25638 12013 1 20 . 1 1 45 45 ARG H H 45 8.255 8.255 8.259 -0.004 25638 12014 1 20 . 1 1 46 46 GLN N N 46 116.576 116.576 119.392 -2.816 25638 12015 1 20 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.058 -0.034 25638 12016 1 20 . 1 1 46 46 GLN C C 46 181.018 181.018 178.498 2.520 25638 12017 1 20 . 1 1 46 46 GLN CA C 46 59.575 59.575 59.171 0.404 25638 12018 1 20 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.272 -0.517 25638 12019 1 20 . 1 1 46 46 GLN H H 46 8.328 8.328 8.709 -0.381 25638 12020 1 20 . 1 1 47 47 CYS N N 47 118.569 118.569 119.149 -0.580 25638 12021 1 20 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.147 -0.064 25638 12022 1 20 . 1 1 47 47 CYS C C 47 177.244 177.244 177.138 0.106 25638 12023 1 20 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.340 -0.236 25638 12024 1 20 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.282 -0.218 25638 12025 1 20 . 1 1 47 47 CYS H H 47 8.029 8.029 8.332 -0.303 25638 12026 1 20 . 1 1 48 48 LEU N N 48 119.873 119.873 121.558 -1.685 25638 12027 1 20 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.116 -0.047 25638 12028 1 20 . 1 1 48 48 LEU C C 48 179.839 179.839 179.144 0.695 25638 12029 1 20 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.157 0.156 25638 12030 1 20 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.578 0.647 25638 12031 1 20 . 1 1 48 48 LEU H H 48 8.539 8.539 8.452 0.087 25638 12032 1 20 . 1 1 49 49 ILE N N 49 119.523 119.523 116.112 3.411 25638 12033 1 20 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.146 -0.176 25638 12034 1 20 . 1 1 49 49 ILE C C 49 178.188 178.188 177.718 0.470 25638 12035 1 20 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.192 1.019 25638 12036 1 20 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.210 0.785 25638 12037 1 20 . 1 1 49 49 ILE H H 49 8.516 8.516 8.575 -0.059 25638 12038 1 20 . 1 1 50 50 LYS N N 50 118.622 118.622 120.436 -1.814 25638 12039 1 20 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.066 0.127 25638 12040 1 20 . 1 1 50 50 LYS C C 50 181.391 181.391 178.895 2.496 25638 12041 1 20 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.009 0.538 25638 12042 1 20 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.100 0.490 25638 12043 1 20 . 1 1 50 50 LYS H H 50 7.522 7.522 7.836 -0.314 25638 12044 1 20 . 1 1 51 51 ILE N N 51 119.288 119.288 120.180 -0.892 25638 12045 1 20 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.671 -0.222 25638 12046 1 20 . 1 1 51 51 ILE C C 51 178.384 178.384 177.827 0.557 25638 12047 1 20 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.829 -0.062 25638 12048 1 20 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.839 1.141 25638 12049 1 20 . 1 1 51 51 ILE H H 51 8.107 8.107 8.391 -0.284 25638 12050 1 20 . 1 1 52 52 GLY N N 52 108.211 108.211 106.941 1.270 25638 12051 1 20 . 1 1 52 52 GLY C C 52 178.168 178.168 175.442 2.726 25638 12052 1 20 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.633 0.431 25638 12053 1 20 . 1 1 52 52 GLY H H 52 9.224 9.224 8.162 1.062 25638 12054 1 20 . 1 1 53 53 ASP N N 53 124.013 124.013 123.392 0.621 25638 12055 1 20 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.399 0.135 25638 12056 1 20 . 1 1 53 53 ASP C C 53 179.976 179.976 178.457 1.519 25638 12057 1 20 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.396 0.232 25638 12058 1 20 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.232 -0.950 25638 12059 1 20 . 1 1 53 53 ASP H H 53 9.091 9.091 8.386 0.705 25638 12060 1 20 . 1 1 54 54 HIS N N 54 121.598 121.598 118.987 2.611 25638 12061 1 20 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.295 0.111 25638 12062 1 20 . 1 1 54 54 HIS C C 54 178.982 178.982 178.028 0.954 25638 12063 1 20 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.450 1.010 25638 12064 1 20 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.733 1.834 25638 12065 1 20 . 1 1 54 54 HIS H H 54 7.664 7.664 7.854 -0.190 25638 12066 1 20 . 1 1 55 55 ILE N N 55 121.892 121.892 120.633 1.259 25638 12067 1 20 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.471 -0.287 25638 12068 1 20 . 1 1 55 55 ILE C C 55 178.188 178.188 177.562 0.626 25638 12069 1 20 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.866 1.811 25638 12070 1 20 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.375 -0.131 25638 12071 1 20 . 1 1 55 55 ILE H H 55 8.255 8.255 8.593 -0.338 25638 12072 1 20 . 1 1 56 56 THR N N 56 115.458 115.458 116.571 -1.113 25638 12073 1 20 . 1 1 56 56 THR HA H 56 3.759 3.759 3.891 -0.132 25638 12074 1 20 . 1 1 56 56 THR C C 56 180.195 180.195 176.852 3.343 25638 12075 1 20 . 1 1 56 56 THR CA C 56 67.551 67.551 67.195 0.356 25638 12076 1 20 . 1 1 56 56 THR CB C 56 68.756 68.756 68.531 0.225 25638 12077 1 20 . 1 1 56 56 THR H H 56 8.047 8.047 7.888 0.159 25638 12078 1 20 . 1 1 57 57 GLU N N 57 121.544 121.544 120.651 0.893 25638 12079 1 20 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.110 -0.156 25638 12080 1 20 . 1 1 57 57 GLU C C 57 180.979 180.979 178.200 2.779 25638 12081 1 20 . 1 1 57 57 GLU CA C 57 59.379 59.379 59.055 0.324 25638 12082 1 20 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.259 -0.519 25638 12083 1 20 . 1 1 57 57 GLU H H 57 7.591 7.591 8.282 -0.691 25638 12084 1 20 . 1 1 58 58 CYS N N 58 118.970 118.970 117.126 1.844 25638 12085 1 20 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.061 -0.121 25638 12086 1 20 . 1 1 58 58 CYS C C 58 178.089 178.089 176.695 1.394 25638 12087 1 20 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.587 0.635 25638 12088 1 20 . 1 1 58 58 CYS CB C 58 26.562 26.562 28.081 -1.520 25638 12089 1 20 . 1 1 58 58 CYS H H 58 8.206 8.206 7.707 0.499 25638 12090 1 20 . 1 1 59 59 LEU N N 59 116.873 116.873 120.004 -3.131 25638 12091 1 20 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.254 -0.003 25638 12092 1 20 . 1 1 59 59 LEU C C 59 179.033 179.033 179.005 0.028 25638 12093 1 20 . 1 1 59 59 LEU CA C 59 56.039 56.039 56.561 -0.522 25638 12094 1 20 . 1 1 59 59 LEU CB C 59 41.037 41.037 40.898 0.139 25638 12095 1 20 . 1 1 59 59 LEU H H 59 7.726 7.726 8.283 -0.557 25638 12096 1 20 . 1 1 60 60 LYS N N 60 117.911 117.911 118.311 -0.400 25638 12097 1 20 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.059 0.072 25638 12098 1 20 . 1 1 60 60 LYS C C 60 177.912 177.912 177.389 0.523 25638 12099 1 20 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.714 -0.177 25638 12100 1 20 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.694 0.696 25638 12101 1 20 . 1 1 60 60 LYS H H 60 7.298 7.298 8.252 -0.954 25638 12102 1 20 . 1 1 61 61 GLU N N 61 115.507 115.507 118.407 -2.900 25638 12103 1 20 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.955 -0.066 25638 12104 1 20 . 1 1 61 61 GLU C C 61 176.576 176.576 176.632 -0.056 25638 12105 1 20 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.743 -0.692 25638 12106 1 20 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.721 0.013 25638 12107 1 20 . 1 1 61 61 GLU H H 61 7.084 7.084 7.614 -0.530 25638 12108 1 20 . 1 1 62 62 TYR N N 62 118.581 118.581 118.190 0.391 25638 12109 1 20 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.482 0.224 25638 12110 1 20 . 1 1 62 62 TYR C C 62 175.935 175.935 176.713 -0.778 25638 12111 1 20 . 1 1 62 62 TYR CA C 62 57.147 57.147 58.003 -0.856 25638 12112 1 20 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.935 1.450 25638 12113 1 20 . 1 1 62 62 TYR H H 62 7.387 7.387 7.220 0.167 25638 12114 1 20 . 1 1 63 63 THR N N 63 109.064 109.064 112.522 -3.458 25638 12115 1 20 . 1 1 63 63 THR HA H 63 4.507 4.507 4.258 0.249 25638 12116 1 20 . 1 1 63 63 THR C C 63 175.888 175.888 175.035 0.853 25638 12117 1 20 . 1 1 63 63 THR CA C 63 61.684 61.684 62.367 -0.683 25638 12118 1 20 . 1 1 63 63 THR CB C 63 70.092 70.092 69.613 0.479 25638 12119 1 20 . 1 1 63 63 THR H H 63 8.471 8.471 8.299 0.172 25638 12120 1 20 . 1 1 64 64 ASN N N 64 123.204 123.204 120.858 2.346 25638 12121 1 20 . 1 1 64 64 ASN HA H 64 5.171 5.171 5.016 0.155 25638 12122 1 20 . 1 1 64 64 ASN C C 64 175.495 175.495 175.209 0.286 25638 12123 1 20 . 1 1 64 64 ASN CA C 64 51.137 51.137 51.213 -0.076 25638 12124 1 20 . 1 1 64 64 ASN CB C 64 39.680 39.680 39.402 0.278 25638 12125 1 20 . 1 1 64 64 ASN H H 64 7.993 7.993 8.102 -0.109 25638 12126 1 20 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.351 -0.081 25638 12127 1 20 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.338 0.354 25638 12128 1 20 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.007 0.392 25638 12129 1 20 . 1 1 66 66 GLU N N 66 118.060 118.060 118.745 -0.685 25638 12130 1 20 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.040 0.092 25638 12131 1 20 . 1 1 66 66 GLU C C 66 180.409 180.409 179.210 1.199 25638 12132 1 20 . 1 1 66 66 GLU CA C 66 59.374 59.374 60.033 -0.659 25638 12133 1 20 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.494 0.309 25638 12134 1 20 . 1 1 66 66 GLU H H 66 8.297 8.297 8.951 -0.654 25638 12135 1 20 . 1 1 67 67 GLN N N 67 120.531 120.531 118.515 2.016 25638 12136 1 20 . 1 1 67 67 GLN HA H 67 4.167 4.167 4.040 0.127 25638 12137 1 20 . 1 1 67 67 GLN C C 67 179.072 179.072 178.756 0.316 25638 12138 1 20 . 1 1 67 67 GLN CA C 67 58.828 58.828 58.981 -0.153 25638 12139 1 20 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.521 0.722 25638 12140 1 20 . 1 1 67 67 GLN H H 67 7.738 7.738 7.711 0.027 25638 12141 1 20 . 1 1 68 68 ILE N N 68 119.632 119.632 118.878 0.754 25638 12142 1 20 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.900 -0.351 25638 12143 1 20 . 1 1 68 68 ILE C C 68 178.109 178.109 177.807 0.302 25638 12144 1 20 . 1 1 68 68 ILE CA C 68 66.597 66.597 65.073 1.524 25638 12145 1 20 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.449 1.490 25638 12146 1 20 . 1 1 68 68 ILE H H 68 7.956 7.956 8.441 -0.485 25638 12147 1 20 . 1 1 69 69 LYS N N 69 117.236 117.236 120.159 -2.923 25638 12148 1 20 . 1 1 69 69 LYS HA H 69 3.929 3.929 3.963 -0.034 25638 12149 1 20 . 1 1 69 69 LYS C C 69 180.271 180.271 178.923 1.348 25638 12150 1 20 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.751 0.170 25638 12151 1 20 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.194 0.413 25638 12152 1 20 . 1 1 69 69 LYS H H 69 7.665 7.665 8.012 -0.347 25638 12153 1 20 . 1 1 70 70 GLN N N 70 118.748 118.748 119.530 -0.782 25638 12154 1 20 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.018 -0.163 25638 12155 1 20 . 1 1 70 70 GLN C C 70 179.131 179.131 178.281 0.850 25638 12156 1 20 . 1 1 70 70 GLN CA C 70 58.252 58.252 59.310 -1.058 25638 12157 1 20 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.835 -0.159 25638 12158 1 20 . 1 1 70 70 GLN H H 70 7.787 7.787 8.271 -0.484 25638 12159 1 20 . 1 1 71 71 TRP N N 71 118.896 118.896 119.971 -1.075 25638 12160 1 20 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.283 -0.240 25638 12161 1 20 . 1 1 71 71 TRP C C 71 178.679 178.679 178.609 0.070 25638 12162 1 20 . 1 1 71 71 TRP CA C 71 61.949 61.949 59.923 2.026 25638 12163 1 20 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.432 -1.188 25638 12164 1 20 . 1 1 71 71 TRP H H 71 8.374 8.374 8.598 -0.224 25638 12165 1 20 . 1 1 72 72 ARG N N 72 122.698 122.698 118.624 4.074 25638 12166 1 20 . 1 1 72 72 ARG HA H 72 3.819 3.819 4.042 -0.223 25638 12167 1 20 . 1 1 72 72 ARG C C 72 178.561 178.561 178.191 0.370 25638 12168 1 20 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.767 1.265 25638 12169 1 20 . 1 1 72 72 ARG CB C 72 30.269 30.269 29.585 0.684 25638 12170 1 20 . 1 1 72 72 ARG H H 72 8.808 8.808 8.685 0.123 25638 12171 1 20 . 1 1 73 73 LYS N N 73 116.946 116.946 120.368 -3.422 25638 12172 1 20 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.080 0.100 25638 12173 1 20 . 1 1 73 73 LYS C C 73 179.622 179.622 179.336 0.286 25638 12174 1 20 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.870 -0.335 25638 12175 1 20 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.208 -0.493 25638 12176 1 20 . 1 1 73 73 LYS H H 73 7.380 7.380 7.816 -0.436 25638 12177 1 20 . 1 1 74 74 ASN N N 74 116.434 116.434 118.129 -1.695 25638 12178 1 20 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.579 -0.302 25638 12179 1 20 . 1 1 74 74 ASN C C 74 178.148 178.148 177.996 0.152 25638 12180 1 20 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.039 -0.176 25638 12181 1 20 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.183 -0.149 25638 12182 1 20 . 1 1 74 74 ASN H H 74 8.309 8.309 8.551 -0.242 25638 12183 1 20 . 1 1 75 75 LEU N N 75 118.967 118.967 121.894 -2.927 25638 12184 1 20 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.189 -0.064 25638 12185 1 20 . 1 1 75 75 LEU C C 75 180.251 180.251 178.778 1.473 25638 12186 1 20 . 1 1 75 75 LEU CA C 75 58.827 58.827 59.243 -0.416 25638 12187 1 20 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.638 -0.654 25638 12188 1 20 . 1 1 75 75 LEU H H 75 8.635 8.635 8.655 -0.020 25638 12189 1 20 . 1 1 76 76 TRP N N 76 118.544 118.544 119.469 -0.925 25638 12190 1 20 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.272 0.307 25638 12191 1 20 . 1 1 76 76 TRP C C 76 180.900 180.900 179.077 1.823 25638 12192 1 20 . 1 1 76 76 TRP CA C 76 61.416 61.416 61.491 -0.075 25638 12193 1 20 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.368 -0.270 25638 12194 1 20 . 1 1 76 76 TRP H H 76 8.006 8.006 7.901 0.105 25638 12195 1 20 . 1 1 77 77 ILE N N 77 121.982 121.982 119.509 2.473 25638 12196 1 20 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.676 0.155 25638 12197 1 20 . 1 1 77 77 ILE C C 77 181.254 181.254 177.923 3.331 25638 12198 1 20 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.409 0.632 25638 12199 1 20 . 1 1 77 77 ILE CB C 77 37.350 37.350 37.984 -0.634 25638 12200 1 20 . 1 1 77 77 ILE H H 77 8.893 8.893 8.836 0.057 25638 12201 1 20 . 1 1 78 78 PHE N N 78 123.458 123.458 121.191 2.267 25638 12202 1 20 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.181 -0.137 25638 12203 1 20 . 1 1 78 78 PHE C C 78 177.618 177.618 177.732 -0.114 25638 12204 1 20 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.476 1.604 25638 12205 1 20 . 1 1 78 78 PHE CB C 78 38.710 38.710 38.796 -0.086 25638 12206 1 20 . 1 1 78 78 PHE H H 78 8.753 8.753 8.299 0.454 25638 12207 1 20 . 1 1 79 79 VAL N N 79 117.726 117.726 119.314 -1.588 25638 12208 1 20 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.419 0.060 25638 12209 1 20 . 1 1 79 79 VAL C C 79 178.876 178.876 178.122 0.754 25638 12210 1 20 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.028 0.785 25638 12211 1 20 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.404 0.168 25638 12212 1 20 . 1 1 79 79 VAL H H 79 8.232 8.232 8.215 0.017 25638 12213 1 20 . 1 1 80 80 SER N N 80 114.568 114.568 113.493 1.075 25638 12214 1 20 . 1 1 80 80 SER HA H 80 4.339 4.339 4.357 -0.018 25638 12215 1 20 . 1 1 80 80 SER C C 80 176.261 176.261 176.173 0.088 25638 12216 1 20 . 1 1 80 80 SER CA C 80 61.337 61.337 60.566 0.771 25638 12217 1 20 . 1 1 80 80 SER CB C 80 62.712 62.712 62.767 -0.055 25638 12218 1 20 . 1 1 80 80 SER H H 80 8.353 8.353 8.285 0.068 25638 12219 1 20 . 1 1 81 81 LYS N N 81 121.180 121.180 122.232 -1.052 25638 12220 1 20 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.108 0.090 25638 12221 1 20 . 1 1 81 81 LYS C C 81 178.305 178.305 178.712 -0.407 25638 12222 1 20 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.905 -1.801 25638 12223 1 20 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.480 -1.821 25638 12224 1 20 . 1 1 81 81 LYS H H 81 7.481 7.481 7.347 0.134 25638 12225 1 20 . 1 1 82 82 PHE N N 82 117.950 117.950 118.086 -0.136 25638 12226 1 20 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.398 -0.001 25638 12227 1 20 . 1 1 82 82 PHE C C 82 174.787 174.787 174.817 -0.030 25638 12228 1 20 . 1 1 82 82 PHE CA C 82 58.398 58.398 58.579 -0.181 25638 12229 1 20 . 1 1 82 82 PHE CB C 82 38.937 38.937 37.297 1.639 25638 12230 1 20 . 1 1 82 82 PHE H H 82 8.256 8.256 7.926 0.330 25638 12231 1 20 . 1 1 83 83 THR N N 83 109.995 109.995 110.689 -0.694 25638 12232 1 20 . 1 1 83 83 THR HA H 83 4.988 4.988 4.400 0.588 25638 12233 1 20 . 1 1 83 83 THR C C 83 174.138 174.138 173.656 0.482 25638 12234 1 20 . 1 1 83 83 THR CA C 83 59.609 59.609 59.971 -0.362 25638 12235 1 20 . 1 1 83 83 THR CB C 83 71.080 71.080 70.329 0.752 25638 12236 1 20 . 1 1 83 83 THR H H 83 7.665 7.665 7.564 0.101 25638 12237 1 20 . 1 1 84 84 GLU N N 84 119.416 119.416 120.397 -0.981 25638 12238 1 20 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.227 0.168 25638 12239 1 20 . 1 1 84 84 GLU C C 84 177.912 177.912 176.222 1.690 25638 12240 1 20 . 1 1 84 84 GLU CA C 84 56.496 56.496 58.113 -1.617 25638 12241 1 20 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.993 -0.471 25638 12242 1 20 . 1 1 84 84 GLU H H 84 8.409 8.409 8.547 -0.138 25638 12243 1 20 . 1 1 85 85 PHE N N 85 120.265 120.265 119.083 1.182 25638 12244 1 20 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.593 0.298 25638 12245 1 20 . 1 1 85 85 PHE C C 85 175.809 175.809 175.337 0.472 25638 12246 1 20 . 1 1 85 85 PHE CA C 85 56.109 56.109 56.572 -0.463 25638 12247 1 20 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.536 1.652 25638 12248 1 20 . 1 1 85 85 PHE H H 85 8.210 8.210 7.326 0.884 25638 12249 1 20 . 1 1 86 86 ASP N N 86 118.128 118.128 123.486 -5.358 25638 12250 1 20 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.582 0.154 25638 12251 1 20 . 1 1 86 86 ASP C C 86 176.986 176.986 177.703 -0.717 25638 12252 1 20 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.437 -2.254 25638 12253 1 20 . 1 1 86 86 ASP CB C 86 42.533 42.533 41.830 0.703 25638 12254 1 20 . 1 1 86 86 ASP H H 86 8.119 8.119 8.699 -0.580 25638 12255 1 20 . 1 1 87 87 ALA N N 87 121.912 121.912 127.444 -5.532 25638 12256 1 20 . 1 1 87 87 ALA HA H 87 3.989 3.989 3.975 0.014 25638 12257 1 20 . 1 1 87 87 ALA C C 87 180.378 180.378 179.044 1.334 25638 12258 1 20 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.896 0.179 25638 12259 1 20 . 1 1 87 87 ALA CB C 87 20.207 20.207 19.000 1.207 25638 12260 1 20 . 1 1 87 87 ALA H H 87 8.757 8.757 8.325 0.432 25638 12261 1 20 . 1 1 88 88 ARG N N 88 117.072 117.072 118.239 -1.167 25638 12262 1 20 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.848 0.108 25638 12263 1 20 . 1 1 88 88 ARG C C 88 179.975 179.975 178.143 1.832 25638 12264 1 20 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.407 -0.155 25638 12265 1 20 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.875 -0.261 25638 12266 1 20 . 1 1 88 88 ARG H H 88 8.147 8.147 8.604 -0.457 25638 12267 1 20 . 1 1 89 89 LYS N N 89 121.809 121.809 118.374 3.435 25638 12268 1 20 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.088 -0.179 25638 12269 1 20 . 1 1 89 89 LYS C C 89 179.505 179.505 178.633 0.872 25638 12270 1 20 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.666 0.320 25638 12271 1 20 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.059 0.275 25638 12272 1 20 . 1 1 89 89 LYS H H 89 8.022 8.022 7.603 0.419 25638 12273 1 20 . 1 1 90 90 LEU N N 90 118.429 118.429 122.335 -3.906 25638 12274 1 20 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.810 -0.066 25638 12275 1 20 . 1 1 90 90 LEU C C 90 178.069 178.069 177.984 0.085 25638 12276 1 20 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.552 -0.509 25638 12277 1 20 . 1 1 90 90 LEU CB C 90 42.462 42.462 42.074 0.388 25638 12278 1 20 . 1 1 90 90 LEU H H 90 8.139 8.139 8.746 -0.607 25638 12279 1 20 . 1 1 91 91 HIS N N 91 117.214 117.214 117.061 0.153 25638 12280 1 20 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.316 0.663 25638 12281 1 20 . 1 1 91 91 HIS C C 91 178.069 178.069 177.338 0.731 25638 12282 1 20 . 1 1 91 91 HIS CA C 91 58.178 58.178 59.873 -1.695 25638 12283 1 20 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.460 -0.032 25638 12284 1 20 . 1 1 91 91 HIS H H 91 7.379 7.379 8.055 -0.676 25638 12285 1 20 . 1 1 92 92 LYS N N 92 118.466 118.466 119.608 -1.142 25638 12286 1 20 . 1 1 92 92 LYS HA H 92 3.635 3.635 4.003 -0.368 25638 12287 1 20 . 1 1 92 92 LYS C C 92 180.310 180.310 178.825 1.485 25638 12288 1 20 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.649 0.275 25638 12289 1 20 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.338 0.027 25638 12290 1 20 . 1 1 92 92 LYS H H 92 7.599 7.599 7.515 0.084 25638 12291 1 20 . 1 1 93 93 LEU N N 93 120.752 120.752 120.284 0.468 25638 12292 1 20 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.947 0.036 25638 12293 1 20 . 1 1 93 93 LEU C C 93 181.269 181.269 179.207 2.062 25638 12294 1 20 . 1 1 93 93 LEU CA C 93 58.000 58.000 57.754 0.246 25638 12295 1 20 . 1 1 93 93 LEU CB C 93 42.339 42.339 40.584 1.755 25638 12296 1 20 . 1 1 93 93 LEU H H 93 8.351 8.351 8.225 0.126 25638 12297 1 20 . 1 1 94 94 TYR N N 94 122.311 122.311 120.568 1.743 25638 12298 1 20 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.084 0.052 25638 12299 1 20 . 1 1 94 94 TYR C C 94 176.789 176.789 177.438 -0.649 25638 12300 1 20 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.783 -0.483 25638 12301 1 20 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.326 0.252 25638 12302 1 20 . 1 1 94 94 TYR H H 94 8.290 8.290 8.890 -0.600 25638 12303 1 20 . 1 1 95 95 LYS N N 95 117.851 117.851 119.112 -1.261 25638 12304 1 20 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.416 0.010 25638 12305 1 20 . 1 1 95 95 LYS C C 95 180.684 180.684 178.457 2.227 25638 12306 1 20 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.815 -0.436 25638 12307 1 20 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.212 -0.964 25638 12308 1 20 . 1 1 95 95 LYS H H 95 8.180 8.180 7.955 0.225 25638 12309 1 20 . 1 1 96 96 HIS N N 96 117.611 117.611 117.448 0.163 25638 12310 1 20 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.231 -0.018 25638 12311 1 20 . 1 1 96 96 HIS C C 96 178.266 178.266 177.426 0.840 25638 12312 1 20 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.438 -0.164 25638 12313 1 20 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.946 0.257 25638 12314 1 20 . 1 1 96 96 HIS H H 96 8.049 8.049 8.480 -0.431 25638 12315 1 20 . 1 1 97 97 ALA N N 97 122.617 122.617 122.477 0.140 25638 12316 1 20 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.068 0.023 25638 12317 1 20 . 1 1 97 97 ALA C C 97 181.352 181.352 179.518 1.834 25638 12318 1 20 . 1 1 97 97 ALA CA C 97 54.645 54.645 55.132 -0.487 25638 12319 1 20 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.248 -0.479 25638 12320 1 20 . 1 1 97 97 ALA H H 97 8.104 8.104 7.958 0.146 25638 12321 1 20 . 1 1 98 98 ILE N N 98 111.626 111.626 119.636 -8.010 25638 12322 1 20 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.569 0.540 25638 12323 1 20 . 1 1 98 98 ILE C C 98 178.561 178.561 177.112 1.449 25638 12324 1 20 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.393 -1.663 25638 12325 1 20 . 1 1 98 98 ILE CB C 98 37.646 37.646 38.018 -0.372 25638 12326 1 20 . 1 1 98 98 ILE H H 98 7.636 7.636 7.890 -0.254 25638 12327 1 20 . 1 1 99 99 LYS N N 99 124.158 124.158 119.668 4.490 25638 12328 1 20 . 1 1 99 99 LYS HA H 99 4.045 4.045 4.053 -0.008 25638 12329 1 20 . 1 1 99 99 LYS C C 99 179.111 179.111 178.657 0.454 25638 12330 1 20 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.061 0.009 25638 12331 1 20 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.167 0.005 25638 12332 1 20 . 1 1 99 99 LYS H H 99 7.359 7.359 8.139 -0.780 25638 12333 1 20 . 1 1 100 100 LYS N N 100 118.333 118.333 119.308 -0.975 25638 12334 1 20 . 1 1 100 100 LYS HA H 100 4.143 4.143 3.984 0.159 25638 12335 1 20 . 1 1 100 100 LYS C C 100 179.111 179.111 179.133 -0.022 25638 12336 1 20 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.756 -1.544 25638 12337 1 20 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.055 -0.313 25638 12338 1 20 . 1 1 100 100 LYS H H 100 7.937 7.937 7.982 -0.045 25638 12339 1 20 . 1 1 101 101 ARG N N 101 121.125 121.125 116.141 4.984 25638 12340 1 20 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.286 -0.157 25638 12341 1 20 . 1 1 101 101 ARG C C 101 178.541 178.541 177.920 0.621 25638 12342 1 20 . 1 1 101 101 ARG CA C 101 58.166 58.166 56.437 1.729 25638 12343 1 20 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.536 0.055 25638 12344 1 20 . 1 1 101 101 ARG H H 101 7.895 7.895 7.739 0.156 25638 12345 1 20 . 1 1 102 102 GLN N N 102 119.756 119.756 119.283 0.473 25638 12346 1 20 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.540 -0.333 25638 12347 1 20 . 1 1 102 102 GLN C C 102 178.129 178.129 173.776 4.353 25638 12348 1 20 . 1 1 102 102 GLN CA C 102 56.912 56.912 54.209 2.703 25638 12349 1 20 . 1 1 102 102 GLN CB C 102 28.921 28.921 29.081 -0.160 25638 12350 1 20 . 1 1 102 102 GLN H H 102 8.167 8.167 7.900 0.267 25638 12351 1 20 . 1 1 103 103 GLU N N 103 120.553 120.553 122.129 -1.576 25638 12352 1 20 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.281 -0.081 25638 12353 1 20 . 1 1 103 103 GLU C C 103 178.286 178.286 176.530 1.756 25638 12354 1 20 . 1 1 103 103 GLU CA C 103 57.505 57.505 57.677 -0.172 25638 12355 1 20 . 1 1 103 103 GLU CB C 103 29.924 29.924 30.031 -0.107 25638 12356 1 20 . 1 1 103 103 GLU H H 103 8.189 8.189 8.423 -0.234 25638 12357 1 20 . 1 1 104 104 SER N N 104 115.381 115.381 120.086 -4.705 25638 12358 1 20 . 1 1 104 104 SER HA H 104 4.431 4.431 4.497 -0.066 25638 12359 1 20 . 1 1 104 104 SER C C 104 175.750 175.750 174.367 1.383 25638 12360 1 20 . 1 1 104 104 SER CA C 104 59.154 59.154 58.268 0.886 25638 12361 1 20 . 1 1 104 104 SER CB C 104 63.456 63.456 64.376 -0.920 25638 12362 1 20 . 1 1 104 104 SER H H 104 8.099 8.099 8.652 -0.553 25638 12363 1 20 . 1 1 105 105 GLN N N 105 121.635 121.635 120.334 1.301 25638 12364 1 20 . 1 1 105 105 GLN HA H 105 4.335 4.335 3.987 0.348 25638 12365 1 20 . 1 1 105 105 GLN C C 105 177.008 177.008 174.734 2.274 25638 12366 1 20 . 1 1 105 105 GLN CA C 105 56.053 56.053 57.068 -1.015 25638 12367 1 20 . 1 1 105 105 GLN CB C 105 29.128 29.128 28.860 0.268 25638 12368 1 20 . 1 1 105 105 GLN H H 105 8.170 8.170 8.206 -0.036 25638 12369 1 20 . 1 1 106 106 GLN N N 106 120.850 120.850 118.154 2.696 25638 12370 1 20 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.466 -0.135 25638 12371 1 20 . 1 1 106 106 GLN C C 106 176.713 176.713 175.343 1.370 25638 12372 1 20 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.870 0.081 25638 12373 1 20 . 1 1 106 106 GLN CB C 106 29.254 29.254 30.743 -1.489 25638 12374 1 20 . 1 1 106 106 GLN H H 106 8.281 8.281 8.381 -0.100 25638 12375 1 20 . 1 1 107 107 ASN N N 107 120.271 120.271 123.233 -2.962 25638 12376 1 20 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.747 0.043 25638 12377 1 20 . 1 1 107 107 ASN C C 107 175.337 175.337 175.313 0.024 25638 12378 1 20 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.112 0.241 25638 12379 1 20 . 1 1 107 107 ASN CB C 107 39.094 39.094 37.608 1.486 25638 12380 1 20 . 1 1 107 107 ASN H H 107 8.434 8.434 8.749 -0.315 25638 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 102 2.368 -0.092 2.378 25638 2 1 1 "Average Difference" HA 109 0.225 0.001 0.226 25638 3 1 1 "Average Difference" C 103 1.476 -1.092 0.999 25638 4 1 1 "Average Difference" CA 106 1.044 -0.132 1.040 25638 5 1 1 "Average Difference" CB 103 0.806 -0.124 0.800 25638 6 1 1 "Average Difference" HN 102 0.426 0.027 0.427 25638 7 1 2 "Average Difference" N 102 2.575 0.007 2.587 25638 8 1 2 "Average Difference" HA 109 0.211 -0.002 0.212 25638 9 1 2 "Average Difference" C 103 1.438 -1.036 1.002 25638 10 1 2 "Average Difference" CA 106 0.966 -0.094 0.966 25638 11 1 2 "Average Difference" CB 103 0.793 -0.042 0.796 25638 12 1 2 "Average Difference" HN 102 0.430 -0.024 0.431 25638 13 1 3 "Average Difference" N 102 2.572 -0.078 2.584 25638 14 1 3 "Average Difference" HA 109 0.218 -0.022 0.218 25638 15 1 3 "Average Difference" C 103 1.358 -0.984 0.941 25638 16 1 3 "Average Difference" CA 106 0.981 -0.046 0.984 25638 17 1 3 "Average Difference" CB 103 0.989 -0.104 0.988 25638 18 1 3 "Average Difference" HN 102 0.428 0.019 0.430 25638 19 1 4 "Average Difference" N 102 2.461 0.205 2.464 25638 20 1 4 "Average Difference" HA 109 0.245 0.013 0.245 25638 21 1 4 "Average Difference" C 103 1.485 -1.078 1.027 25638 22 1 4 "Average Difference" CA 106 1.000 -0.128 0.996 25638 23 1 4 "Average Difference" CB 103 0.861 -0.052 0.863 25638 24 1 4 "Average Difference" HN 102 0.430 -0.006 0.432 25638 25 1 5 "Average Difference" N 102 2.268 -0.059 2.279 25638 26 1 5 "Average Difference" HA 109 0.257 -0.004 0.258 25638 27 1 5 "Average Difference" C 103 1.371 -0.983 0.961 25638 28 1 5 "Average Difference" CA 106 0.997 -0.058 1.000 25638 29 1 5 "Average Difference" CB 103 0.895 -0.095 0.895 25638 30 1 5 "Average Difference" HN 102 0.429 0.044 0.429 25638 31 1 6 "Average Difference" N 102 2.546 0.044 2.558 25638 32 1 6 "Average Difference" HA 109 0.233 0.011 0.234 25638 33 1 6 "Average Difference" C 103 1.404 -1.023 0.968 25638 34 1 6 "Average Difference" CA 106 0.976 -0.061 0.979 25638 35 1 6 "Average Difference" CB 103 0.869 -0.071 0.870 25638 36 1 6 "Average Difference" HN 102 0.385 0.033 0.385 25638 37 1 7 "Average Difference" N 102 2.523 0.196 2.527 25638 38 1 7 "Average Difference" HA 109 0.231 0.007 0.232 25638 39 1 7 "Average Difference" C 103 1.401 -1.024 0.960 25638 40 1 7 "Average Difference" CA 106 0.944 -0.106 0.943 25638 41 1 7 "Average Difference" CB 103 0.839 -0.097 0.838 25638 42 1 7 "Average Difference" HN 102 0.438 0.032 0.439 25638 43 1 8 "Average Difference" N 102 2.510 0.048 2.521 25638 44 1 8 "Average Difference" HA 109 0.237 0.018 0.237 25638 45 1 8 "Average Difference" C 103 1.521 -1.083 1.072 25638 46 1 8 "Average Difference" CA 106 1.026 -0.151 1.020 25638 47 1 8 "Average Difference" CB 103 0.943 -0.001 0.947 25638 48 1 8 "Average Difference" HN 102 0.417 0.016 0.418 25638 49 1 9 "Average Difference" N 102 2.224 0.256 2.220 25638 50 1 9 "Average Difference" HA 109 0.202 0.018 0.202 25638 51 1 9 "Average Difference" C 103 1.394 -1.018 0.957 25638 52 1 9 "Average Difference" CA 106 1.012 -0.229 0.990 25638 53 1 9 "Average Difference" CB 103 0.790 -0.043 0.793 25638 54 1 9 "Average Difference" HN 102 0.420 0.034 0.420 25638 55 1 10 "Average Difference" N 102 2.529 0.197 2.534 25638 56 1 10 "Average Difference" HA 109 0.232 -0.022 0.232 25638 57 1 10 "Average Difference" C 103 1.448 -1.057 0.995 25638 58 1 10 "Average Difference" CA 106 0.997 -0.056 1.000 25638 59 1 10 "Average Difference" CB 103 0.874 -0.103 0.872 25638 60 1 10 "Average Difference" HN 102 0.442 0.055 0.441 25638 61 1 11 "Average Difference" N 102 2.408 0.009 2.420 25638 62 1 11 "Average Difference" HA 109 0.216 0.004 0.217 25638 63 1 11 "Average Difference" C 103 1.374 -1.018 0.927 25638 64 1 11 "Average Difference" CA 106 1.041 -0.216 1.023 25638 65 1 11 "Average Difference" CB 103 0.828 -0.181 0.811 25638 66 1 11 "Average Difference" HN 102 0.414 0.009 0.416 25638 67 1 12 "Average Difference" N 102 2.417 0.037 2.429 25638 68 1 12 "Average Difference" HA 109 0.212 -0.009 0.213 25638 69 1 12 "Average Difference" C 103 1.376 -1.021 0.928 25638 70 1 12 "Average Difference" CA 106 0.962 -0.164 0.953 25638 71 1 12 "Average Difference" CB 103 0.818 -0.124 0.813 25638 72 1 12 "Average Difference" HN 102 0.459 -0.007 0.462 25638 73 1 13 "Average Difference" N 102 2.567 0.068 2.579 25638 74 1 13 "Average Difference" HA 109 0.232 0.003 0.233 25638 75 1 13 "Average Difference" C 103 1.397 -1.032 0.946 25638 76 1 13 "Average Difference" CA 106 1.021 -0.146 1.015 25638 77 1 13 "Average Difference" CB 103 0.865 -0.085 0.865 25638 78 1 13 "Average Difference" HN 102 0.403 0.042 0.402 25638 79 1 14 "Average Difference" N 102 2.367 0.296 2.360 25638 80 1 14 "Average Difference" HA 109 0.224 0.011 0.225 25638 81 1 14 "Average Difference" C 103 1.438 -1.039 0.999 25638 82 1 14 "Average Difference" CA 106 0.979 -0.112 0.977 25638 83 1 14 "Average Difference" CB 103 0.804 -0.108 0.801 25638 84 1 14 "Average Difference" HN 102 0.454 0.056 0.453 25638 85 1 15 "Average Difference" N 102 2.452 0.114 2.461 25638 86 1 15 "Average Difference" HA 109 0.240 -0.014 0.240 25638 87 1 15 "Average Difference" C 103 1.445 -1.025 1.023 25638 88 1 15 "Average Difference" CA 106 1.019 -0.033 1.023 25638 89 1 15 "Average Difference" CB 103 0.815 -0.134 0.808 25638 90 1 15 "Average Difference" HN 102 0.417 0.048 0.417 25638 91 1 16 "Average Difference" N 102 2.330 0.183 2.334 25638 92 1 16 "Average Difference" HA 109 0.221 0.013 0.222 25638 93 1 16 "Average Difference" C 103 1.484 -1.118 0.981 25638 94 1 16 "Average Difference" CA 106 1.064 -0.190 1.052 25638 95 1 16 "Average Difference" CB 103 0.844 -0.114 0.840 25638 96 1 16 "Average Difference" HN 102 0.410 0.026 0.411 25638 97 1 17 "Average Difference" N 102 2.370 0.083 2.380 25638 98 1 17 "Average Difference" HA 109 0.217 0.011 0.218 25638 99 1 17 "Average Difference" C 103 1.388 -1.020 0.947 25638 100 1 17 "Average Difference" CA 106 0.915 -0.114 0.912 25638 101 1 17 "Average Difference" CB 103 0.901 -0.121 0.897 25638 102 1 17 "Average Difference" HN 102 0.392 0.000 0.394 25638 103 1 18 "Average Difference" N 102 2.560 0.085 2.571 25638 104 1 18 "Average Difference" HA 109 0.219 0.007 0.220 25638 105 1 18 "Average Difference" C 103 1.338 -0.999 0.895 25638 106 1 18 "Average Difference" CA 106 0.973 -0.041 0.977 25638 107 1 18 "Average Difference" CB 103 0.843 -0.080 0.843 25638 108 1 18 "Average Difference" HN 102 0.380 -0.009 0.381 25638 109 1 19 "Average Difference" N 102 2.818 0.030 2.831 25638 110 1 19 "Average Difference" HA 109 0.225 0.019 0.225 25638 111 1 19 "Average Difference" C 103 1.451 -1.061 0.994 25638 112 1 19 "Average Difference" CA 106 1.047 -0.172 1.038 25638 113 1 19 "Average Difference" CB 103 0.950 -0.105 0.948 25638 114 1 19 "Average Difference" HN 102 0.455 0.048 0.454 25638 115 1 20 "Average Difference" N 102 2.346 0.266 2.342 25638 116 1 20 "Average Difference" HA 109 0.213 -0.000 0.214 25638 117 1 20 "Average Difference" C 103 1.398 -0.999 0.983 25638 118 1 20 "Average Difference" CA 106 0.980 -0.147 0.974 25638 119 1 20 "Average Difference" CB 103 0.842 -0.073 0.843 25638 120 1 20 "Average Difference" HN 102 0.412 0.062 0.410 25638 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 25638 _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 4.445 4.445 4.578 -0.133 25638 2 1 . 1 1 2 2 PRO C C 2 178.089 178.089 176.532 1.557 25638 3 1 . 1 1 2 2 PRO CA C 2 63.306 63.306 62.904 0.402 25638 4 1 . 1 1 2 2 PRO CB C 2 32.468 32.468 32.371 0.097 25638 5 1 . 1 1 3 3 LEU N N 3 122.239 122.239 120.470 1.769 25638 6 1 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.328 -0.031 25638 7 1 . 1 1 3 3 LEU C C 3 178.876 178.876 177.202 1.674 25638 8 1 . 1 1 3 3 LEU CA C 3 55.529 55.529 54.930 0.599 25638 9 1 . 1 1 3 3 LEU CB C 3 42.150 42.150 41.986 0.164 25638 10 1 . 1 1 3 3 LEU H H 3 8.522 8.522 8.151 0.371 25638 11 1 . 1 1 4 4 GLY N N 4 109.572 109.572 107.578 1.994 25638 12 1 . 1 1 4 4 GLY C C 4 174.630 174.630 173.718 0.912 25638 13 1 . 1 1 4 4 GLY CA C 4 45.333 45.333 44.918 0.415 25638 14 1 . 1 1 4 4 GLY H H 4 8.349 8.349 8.143 0.206 25638 15 1 . 1 1 5 5 SER N N 5 115.481 115.481 116.114 -0.633 25638 16 1 . 1 1 5 5 SER HA H 5 4.513 4.513 4.465 0.048 25638 17 1 . 1 1 5 5 SER C C 5 174.667 174.667 173.877 0.790 25638 18 1 . 1 1 5 5 SER CA C 5 57.801 57.801 58.185 -0.384 25638 19 1 . 1 1 5 5 SER CB C 5 64.536 64.536 63.943 0.593 25638 20 1 . 1 1 5 5 SER H H 5 8.119 8.119 8.166 -0.047 25638 21 1 . 1 1 6 6 LEU N N 6 121.895 121.895 122.757 -0.862 25638 22 1 . 1 1 6 6 LEU HA H 6 4.654 4.654 4.309 0.345 25638 23 1 . 1 1 6 6 LEU C C 6 177.932 177.932 176.160 1.772 25638 24 1 . 1 1 6 6 LEU CA C 6 53.922 53.922 54.760 -0.838 25638 25 1 . 1 1 6 6 LEU CB C 6 44.606 44.606 42.377 2.229 25638 26 1 . 1 1 6 6 LEU H H 6 8.319 8.319 8.225 0.094 25638 27 1 . 1 1 7 7 ASP N N 7 121.978 121.978 122.885 -0.907 25638 28 1 . 1 1 7 7 ASP HA H 7 4.606 4.606 4.581 0.025 25638 29 1 . 1 1 7 7 ASP C C 7 176.477 176.477 177.382 -0.905 25638 30 1 . 1 1 7 7 ASP CA C 7 53.218 53.218 54.302 -1.084 25638 31 1 . 1 1 7 7 ASP CB C 7 40.958 40.958 42.577 -1.619 25638 32 1 . 1 1 7 7 ASP H H 7 8.318 8.318 8.277 0.041 25638 33 1 . 1 1 8 8 GLN N N 8 119.885 119.885 121.431 -1.546 25638 34 1 . 1 1 8 8 GLN HA H 8 4.086 4.086 4.017 0.069 25638 35 1 . 1 1 8 8 GLN C C 8 179.710 179.710 178.122 1.588 25638 36 1 . 1 1 8 8 GLN CA C 8 59.825 59.825 59.644 0.181 25638 37 1 . 1 1 8 8 GLN CB C 8 28.484 28.484 28.711 -0.227 25638 38 1 . 1 1 8 8 GLN H H 8 8.746 8.746 8.773 -0.027 25638 39 1 . 1 1 9 9 LYS N N 9 120.863 120.863 119.327 1.536 25638 40 1 . 1 1 9 9 LYS HA H 9 4.197 4.197 4.145 0.052 25638 41 1 . 1 1 9 9 LYS C C 9 180.333 180.333 178.818 1.515 25638 42 1 . 1 1 9 9 LYS CA C 9 59.374 59.374 59.901 -0.527 25638 43 1 . 1 1 9 9 LYS CB C 9 31.957 31.957 31.804 0.153 25638 44 1 . 1 1 9 9 LYS H H 9 8.454 8.454 8.519 -0.065 25638 45 1 . 1 1 10 10 THR N N 10 118.654 118.654 116.672 1.982 25638 46 1 . 1 1 10 10 THR HA H 10 3.985 3.985 4.259 -0.274 25638 47 1 . 1 1 10 10 THR C C 10 177.904 177.904 176.729 1.175 25638 48 1 . 1 1 10 10 THR CA C 10 67.618 67.618 66.600 1.018 25638 49 1 . 1 1 10 10 THR CB C 10 67.523 67.523 68.422 -0.899 25638 50 1 . 1 1 10 10 THR H H 10 8.531 8.531 7.980 0.551 25638 51 1 . 1 1 11 11 PHE N N 11 123.876 123.876 122.684 1.192 25638 52 1 . 1 1 11 11 PHE HA H 11 3.994 3.994 4.337 -0.343 25638 53 1 . 1 1 11 11 PHE C C 11 177.676 177.676 177.390 0.286 25638 54 1 . 1 1 11 11 PHE CA C 11 63.219 63.219 61.181 2.038 25638 55 1 . 1 1 11 11 PHE CB C 11 39.346 39.346 38.978 0.368 25638 56 1 . 1 1 11 11 PHE H H 11 9.296 9.296 8.856 0.440 25638 57 1 . 1 1 12 12 SER N N 12 114.219 114.219 115.975 -1.756 25638 58 1 . 1 1 12 12 SER HA H 12 4.151 4.151 4.107 0.044 25638 59 1 . 1 1 12 12 SER C C 12 177.922 177.922 176.705 1.217 25638 60 1 . 1 1 12 12 SER CA C 12 62.899 62.899 62.105 0.794 25638 61 1 . 1 1 12 12 SER CB C 12 63.194 63.194 63.084 0.110 25638 62 1 . 1 1 12 12 SER H H 12 8.306 8.306 8.028 0.278 25638 63 1 . 1 1 13 13 ILE N N 13 123.613 123.613 122.309 1.304 25638 64 1 . 1 1 13 13 ILE HA H 13 3.837 3.837 3.722 0.115 25638 65 1 . 1 1 13 13 ILE C C 13 179.563 179.563 177.597 1.966 25638 66 1 . 1 1 13 13 ILE CA C 13 65.100 65.100 64.528 0.572 25638 67 1 . 1 1 13 13 ILE CB C 13 38.310 38.310 37.575 0.735 25638 68 1 . 1 1 13 13 ILE H H 13 7.897 7.897 8.262 -0.365 25638 69 1 . 1 1 14 14 CYS N N 14 118.125 118.125 118.182 -0.057 25638 70 1 . 1 1 14 14 CYS HA H 14 3.551 3.551 3.699 -0.148 25638 71 1 . 1 1 14 14 CYS C C 14 176.010 176.010 176.274 -0.264 25638 72 1 . 1 1 14 14 CYS CA C 14 64.572 64.572 62.613 1.959 25638 73 1 . 1 1 14 14 CYS CB C 14 26.721 26.721 25.850 0.871 25638 74 1 . 1 1 14 14 CYS H H 14 8.329 8.329 8.238 0.091 25638 75 1 . 1 1 15 15 LYS N N 15 118.532 118.532 119.625 -1.093 25638 76 1 . 1 1 15 15 LYS HA H 15 3.149 3.149 3.741 -0.592 25638 77 1 . 1 1 15 15 LYS C C 15 179.846 179.846 177.967 1.879 25638 78 1 . 1 1 15 15 LYS CA C 15 59.732 59.732 59.253 0.479 25638 79 1 . 1 1 15 15 LYS CB C 15 32.092 32.092 31.977 0.115 25638 80 1 . 1 1 15 15 LYS H H 15 8.025 8.025 7.315 0.710 25638 81 1 . 1 1 16 16 GLU N N 16 118.138 118.138 117.160 0.978 25638 82 1 . 1 1 16 16 GLU HA H 16 4.027 4.027 4.046 -0.019 25638 83 1 . 1 1 16 16 GLU C C 16 180.959 180.959 179.025 1.934 25638 84 1 . 1 1 16 16 GLU CA C 16 59.142 59.142 58.335 0.806 25638 85 1 . 1 1 16 16 GLU CB C 16 29.113 29.113 29.696 -0.583 25638 86 1 . 1 1 16 16 GLU H H 16 7.403 7.403 7.614 -0.211 25638 87 1 . 1 1 17 17 ARG N N 17 117.969 117.969 118.418 -0.449 25638 88 1 . 1 1 17 17 ARG HA H 17 4.063 4.063 4.017 0.046 25638 89 1 . 1 1 17 17 ARG C C 17 179.544 179.544 178.537 1.007 25638 90 1 . 1 1 17 17 ARG CA C 17 58.155 58.155 57.748 0.407 25638 91 1 . 1 1 17 17 ARG CB C 17 29.967 29.967 30.180 -0.213 25638 92 1 . 1 1 17 17 ARG H H 17 8.325 8.325 8.005 0.320 25638 93 1 . 1 1 18 18 MET N N 18 113.332 113.332 118.308 -4.976 25638 94 1 . 1 1 18 18 MET HA H 18 4.561 4.561 4.403 0.158 25638 95 1 . 1 1 18 18 MET C C 18 176.890 176.890 175.555 1.335 25638 96 1 . 1 1 18 18 MET CA C 18 53.377 53.377 54.181 -0.804 25638 97 1 . 1 1 18 18 MET CB C 18 29.724 29.724 30.593 -0.869 25638 98 1 . 1 1 18 18 MET H H 18 7.718 7.718 8.062 -0.344 25638 99 1 . 1 1 19 19 ARG N N 19 123.288 123.288 121.155 2.133 25638 100 1 . 1 1 19 19 ARG HA H 19 4.151 4.151 4.319 -0.168 25638 101 1 . 1 1 19 19 ARG C C 19 176.556 176.556 176.428 0.128 25638 102 1 . 1 1 19 19 ARG CA C 19 61.133 61.133 60.500 0.633 25638 103 1 . 1 1 19 19 ARG CB C 19 28.258 28.258 28.301 -0.043 25638 104 1 . 1 1 19 19 ARG H H 19 7.152 7.152 7.696 -0.544 25638 105 1 . 1 1 20 20 PRO HA H 20 4.343 4.343 4.223 0.121 25638 106 1 . 1 1 20 20 PRO CA C 20 65.997 65.997 65.095 0.902 25638 107 1 . 1 1 20 20 PRO CB C 20 31.840 31.840 31.063 0.777 25638 108 1 . 1 1 21 21 VAL N N 21 105.802 105.802 111.415 -5.613 25638 109 1 . 1 1 21 21 VAL HA H 21 4.821 4.821 4.241 0.580 25638 110 1 . 1 1 21 21 VAL C C 21 176.261 176.261 176.537 -0.276 25638 111 1 . 1 1 21 21 VAL CA C 21 59.103 59.103 60.723 -1.620 25638 112 1 . 1 1 21 21 VAL CB C 21 30.856 30.856 31.065 -0.209 25638 113 1 . 1 1 21 21 VAL H H 21 7.352 7.352 7.613 -0.261 25638 114 1 . 1 1 22 22 LYS N N 22 122.802 122.802 122.438 0.364 25638 115 1 . 1 1 22 22 LYS HA H 22 3.764 3.764 3.797 -0.033 25638 116 1 . 1 1 22 22 LYS C C 22 178.758 178.758 178.171 0.587 25638 117 1 . 1 1 22 22 LYS CA C 22 60.332 60.332 60.212 0.120 25638 118 1 . 1 1 22 22 LYS CB C 22 32.214 32.214 32.063 0.151 25638 119 1 . 1 1 22 22 LYS H H 22 7.640 7.640 7.620 0.020 25638 120 1 . 1 1 23 23 ALA N N 23 120.067 120.067 120.983 -0.916 25638 121 1 . 1 1 23 23 ALA HA H 23 4.075 4.075 4.058 0.017 25638 122 1 . 1 1 23 23 ALA C C 23 180.998 180.998 179.332 1.666 25638 123 1 . 1 1 23 23 ALA CA C 23 55.159 55.159 55.014 0.145 25638 124 1 . 1 1 23 23 ALA CB C 23 17.914 17.914 17.920 -0.006 25638 125 1 . 1 1 23 23 ALA H H 23 8.571 8.571 8.405 0.166 25638 126 1 . 1 1 24 24 ALA N N 24 121.068 121.068 121.393 -0.325 25638 127 1 . 1 1 24 24 ALA HA H 24 4.162 4.162 4.078 0.084 25638 128 1 . 1 1 24 24 ALA C C 24 180.271 180.271 179.557 0.714 25638 129 1 . 1 1 24 24 ALA CA C 24 54.756 54.756 54.557 0.199 25638 130 1 . 1 1 24 24 ALA CB C 24 18.193 18.193 18.317 -0.124 25638 131 1 . 1 1 24 24 ALA H H 24 7.320 7.320 7.723 -0.403 25638 132 1 . 1 1 25 25 LEU N N 25 117.214 117.214 118.892 -1.678 25638 133 1 . 1 1 25 25 LEU HA H 25 3.711 3.711 3.928 -0.217 25638 134 1 . 1 1 25 25 LEU C C 25 179.524 179.524 179.090 0.434 25638 135 1 . 1 1 25 25 LEU CA C 25 57.951 57.951 58.026 -0.075 25638 136 1 . 1 1 25 25 LEU CB C 25 40.630 40.630 41.522 -0.892 25638 137 1 . 1 1 25 25 LEU H H 25 7.698 7.698 8.273 -0.575 25638 138 1 . 1 1 26 26 LYS N N 26 116.336 116.336 118.471 -2.135 25638 139 1 . 1 1 26 26 LYS HA H 26 4.163 4.163 4.068 0.095 25638 140 1 . 1 1 26 26 LYS C C 26 179.308 179.308 179.101 0.207 25638 141 1 . 1 1 26 26 LYS CA C 26 58.414 58.414 59.250 -0.836 25638 142 1 . 1 1 26 26 LYS CB C 26 32.166 32.166 32.316 -0.150 25638 143 1 . 1 1 26 26 LYS H H 26 7.675 7.675 7.971 -0.296 25638 144 1 . 1 1 27 27 GLN N N 27 116.118 116.118 117.762 -1.644 25638 145 1 . 1 1 27 27 GLN HA H 27 4.275 4.275 4.192 0.083 25638 146 1 . 1 1 27 27 GLN C C 27 178.679 178.679 177.881 0.798 25638 147 1 . 1 1 27 27 GLN CA C 27 56.807 56.807 58.301 -1.494 25638 148 1 . 1 1 27 27 GLN CB C 27 30.020 30.020 28.599 1.421 25638 149 1 . 1 1 27 27 GLN H H 27 7.520 7.520 8.208 -0.688 25638 150 1 . 1 1 28 28 LEU N N 28 121.335 121.335 117.714 3.621 25638 151 1 . 1 1 28 28 LEU HA H 28 4.153 4.153 4.350 -0.197 25638 152 1 . 1 1 28 28 LEU C C 28 178.168 178.168 178.197 -0.029 25638 153 1 . 1 1 28 28 LEU CA C 28 58.042 58.042 56.143 1.899 25638 154 1 . 1 1 28 28 LEU CB C 28 41.911 41.911 41.894 0.017 25638 155 1 . 1 1 28 28 LEU H H 28 7.506 7.506 7.738 -0.232 25638 156 1 . 1 1 29 29 ASP N N 29 117.486 117.486 120.379 -2.893 25638 157 1 . 1 1 29 29 ASP HA H 29 4.914 4.914 4.642 0.272 25638 158 1 . 1 1 29 29 ASP C C 29 176.772 176.772 176.481 0.291 25638 159 1 . 1 1 29 29 ASP CA C 29 54.126 54.126 56.298 -2.172 25638 160 1 . 1 1 29 29 ASP CB C 29 42.715 42.715 42.288 0.427 25638 161 1 . 1 1 29 29 ASP H H 29 8.120 8.120 7.970 0.150 25638 162 1 . 1 1 30 30 ARG N N 30 119.107 119.107 119.508 -0.401 25638 163 1 . 1 1 30 30 ARG HA H 30 4.761 4.761 4.819 -0.058 25638 164 1 . 1 1 30 30 ARG C C 30 173.824 173.824 173.959 -0.135 25638 165 1 . 1 1 30 30 ARG CA C 30 53.231 53.231 53.253 -0.022 25638 166 1 . 1 1 30 30 ARG CB C 30 31.311 31.311 31.763 -0.452 25638 167 1 . 1 1 30 30 ARG H H 30 7.701 7.701 8.081 -0.380 25638 168 1 . 1 1 31 31 PRO HA H 31 4.266 4.266 4.611 -0.345 25638 169 1 . 1 1 31 31 PRO CA C 31 62.945 62.945 62.527 0.418 25638 170 1 . 1 1 31 31 PRO CB C 31 32.014 32.014 32.473 -0.459 25638 171 1 . 1 1 32 32 GLU N N 32 122.391 122.391 120.394 1.997 25638 172 1 . 1 1 32 32 GLU HA H 32 4.188 4.188 4.297 -0.109 25638 173 1 . 1 1 32 32 GLU C C 32 177.401 177.401 176.053 1.348 25638 174 1 . 1 1 32 32 GLU CA C 32 56.389 56.389 56.213 0.176 25638 175 1 . 1 1 32 32 GLU CB C 32 30.188 30.188 30.564 -0.376 25638 176 1 . 1 1 32 32 GLU H H 32 8.454 8.454 8.467 -0.013 25638 177 1 . 1 1 33 33 LYS N N 33 123.127 123.127 119.412 3.715 25638 178 1 . 1 1 33 33 LYS HA H 33 4.176 4.176 4.444 -0.268 25638 179 1 . 1 1 33 33 LYS C C 33 178.482 178.482 176.362 2.120 25638 180 1 . 1 1 33 33 LYS CA C 33 57.127 57.127 56.315 0.812 25638 181 1 . 1 1 33 33 LYS CB C 33 32.640 32.640 32.569 0.071 25638 182 1 . 1 1 33 33 LYS H H 33 8.338 8.338 8.312 0.025 25638 183 1 . 1 1 34 34 GLY N N 34 109.507 109.507 107.977 1.530 25638 184 1 . 1 1 34 34 GLY C C 34 175.475 175.475 174.249 1.226 25638 185 1 . 1 1 34 34 GLY CA C 34 45.318 45.318 45.285 0.033 25638 186 1 . 1 1 34 34 GLY H H 34 8.643 8.643 8.255 0.388 25638 187 1 . 1 1 35 35 LEU N N 35 120.392 120.392 119.881 0.511 25638 188 1 . 1 1 35 35 LEU HA H 35 4.515 4.515 4.649 -0.134 25638 189 1 . 1 1 35 35 LEU C C 35 178.797 178.797 176.741 2.056 25638 190 1 . 1 1 35 35 LEU CA C 35 54.449 54.449 54.079 0.370 25638 191 1 . 1 1 35 35 LEU CB C 35 43.116 43.116 43.559 -0.443 25638 192 1 . 1 1 35 35 LEU H H 35 7.480 7.480 7.614 -0.134 25638 193 1 . 1 1 36 36 SER N N 36 118.629 118.629 114.003 4.626 25638 194 1 . 1 1 36 36 SER HA H 36 4.471 4.471 4.560 -0.089 25638 195 1 . 1 1 36 36 SER C C 36 175.632 175.632 175.025 0.607 25638 196 1 . 1 1 36 36 SER CA C 36 57.814 57.814 57.674 0.140 25638 197 1 . 1 1 36 36 SER CB C 36 64.678 64.678 64.160 0.518 25638 198 1 . 1 1 36 36 SER H H 36 8.838 8.838 8.052 0.786 25638 199 1 . 1 1 37 37 GLU N N 37 122.722 122.722 122.439 0.283 25638 200 1 . 1 1 37 37 GLU HA H 37 4.014 4.014 4.059 -0.045 25638 201 1 . 1 1 37 37 GLU C C 37 179.976 179.976 178.648 1.329 25638 202 1 . 1 1 37 37 GLU CA C 37 60.578 60.578 59.567 1.010 25638 203 1 . 1 1 37 37 GLU CB C 37 29.349 29.349 29.673 -0.324 25638 204 1 . 1 1 37 37 GLU H H 37 9.018 9.018 8.946 0.072 25638 205 1 . 1 1 38 38 ARG N N 38 118.418 118.418 119.286 -0.868 25638 206 1 . 1 1 38 38 ARG HA H 38 4.113 4.113 4.198 -0.085 25638 207 1 . 1 1 38 38 ARG C C 38 180.212 180.212 178.474 1.738 25638 208 1 . 1 1 38 38 ARG CA C 38 59.448 59.448 58.812 0.636 25638 209 1 . 1 1 38 38 ARG CB C 38 29.807 29.807 30.038 -0.231 25638 210 1 . 1 1 38 38 ARG H H 38 8.509 8.509 8.291 0.218 25638 211 1 . 1 1 39 39 GLU N N 39 119.730 119.730 119.146 0.584 25638 212 1 . 1 1 39 39 GLU HA H 39 4.090 4.090 4.096 -0.006 25638 213 1 . 1 1 39 39 GLU C C 39 180.529 180.529 179.045 1.484 25638 214 1 . 1 1 39 39 GLU CA C 39 58.893 58.893 59.462 -0.569 25638 215 1 . 1 1 39 39 GLU CB C 39 30.557 30.557 28.943 1.613 25638 216 1 . 1 1 39 39 GLU H H 39 7.761 7.761 8.382 -0.621 25638 217 1 . 1 1 40 40 GLN N N 40 121.665 121.665 118.687 2.978 25638 218 1 . 1 1 40 40 GLN HA H 40 4.044 4.044 4.097 -0.053 25638 219 1 . 1 1 40 40 GLN C C 40 179.760 179.760 178.471 1.289 25638 220 1 . 1 1 40 40 GLN CA C 40 59.370 59.370 58.785 0.585 25638 221 1 . 1 1 40 40 GLN CB C 40 28.488 28.488 28.327 0.161 25638 222 1 . 1 1 40 40 GLN H H 40 8.871 8.871 8.023 0.848 25638 223 1 . 1 1 41 41 LEU N N 41 121.002 121.002 120.347 0.655 25638 224 1 . 1 1 41 41 LEU HA H 41 4.227 4.227 4.081 0.146 25638 225 1 . 1 1 41 41 LEU C C 41 180.841 180.841 179.051 1.790 25638 226 1 . 1 1 41 41 LEU CA C 41 58.290 58.290 58.030 0.260 25638 227 1 . 1 1 41 41 LEU CB C 41 41.601 41.601 41.511 0.090 25638 228 1 . 1 1 41 41 LEU H H 41 8.140 8.140 7.910 0.230 25638 229 1 . 1 1 42 42 GLU N N 42 119.818 119.818 118.805 1.013 25638 230 1 . 1 1 42 42 GLU HA H 42 4.234 4.234 3.997 0.237 25638 231 1 . 1 1 42 42 GLU C C 42 179.603 179.603 178.735 0.868 25638 232 1 . 1 1 42 42 GLU CA C 42 58.910 58.910 59.451 -0.541 25638 233 1 . 1 1 42 42 GLU CB C 42 28.967 28.967 29.440 -0.474 25638 234 1 . 1 1 42 42 GLU H H 42 7.894 7.894 8.079 -0.185 25638 235 1 . 1 1 43 43 HIS N N 43 119.964 119.964 119.470 0.494 25638 236 1 . 1 1 43 43 HIS HA H 43 4.421 4.421 4.267 0.154 25638 237 1 . 1 1 43 43 HIS C C 43 179.140 179.140 177.705 1.435 25638 238 1 . 1 1 43 43 HIS CA C 43 59.813 59.813 60.085 -0.272 25638 239 1 . 1 1 43 43 HIS CB C 43 29.444 29.444 30.036 -0.592 25638 240 1 . 1 1 43 43 HIS H H 43 8.437 8.437 8.605 -0.168 25638 241 1 . 1 1 44 44 THR N N 44 117.768 117.768 115.908 1.860 25638 242 1 . 1 1 44 44 THR HA H 44 3.884 3.884 4.043 -0.160 25638 243 1 . 1 1 44 44 THR C C 44 179.008 179.008 176.655 2.353 25638 244 1 . 1 1 44 44 THR CA C 44 67.603 67.603 67.423 0.180 25638 245 1 . 1 1 44 44 THR CB C 44 68.981 68.981 68.480 0.501 25638 246 1 . 1 1 44 44 THR H H 44 8.589 8.589 8.402 0.187 25638 247 1 . 1 1 45 45 ARG N N 45 121.750 121.750 121.615 0.136 25638 248 1 . 1 1 45 45 ARG HA H 45 3.879 3.879 4.122 -0.243 25638 249 1 . 1 1 45 45 ARG C C 45 178.817 178.817 178.762 0.055 25638 250 1 . 1 1 45 45 ARG CA C 45 60.859 60.859 59.436 1.423 25638 251 1 . 1 1 45 45 ARG CB C 45 30.716 30.716 29.391 1.325 25638 252 1 . 1 1 45 45 ARG H H 45 8.255 8.255 7.794 0.461 25638 253 1 . 1 1 46 46 GLN N N 46 116.576 116.576 119.422 -2.846 25638 254 1 . 1 1 46 46 GLN HA H 46 4.024 4.024 4.063 -0.039 25638 255 1 . 1 1 46 46 GLN C C 46 181.018 181.018 178.604 2.414 25638 256 1 . 1 1 46 46 GLN CA C 46 59.575 59.575 58.933 0.642 25638 257 1 . 1 1 46 46 GLN CB C 46 27.755 27.755 28.270 -0.516 25638 258 1 . 1 1 46 46 GLN H H 46 8.328 8.328 8.432 -0.104 25638 259 1 . 1 1 47 47 CYS N N 47 118.569 118.569 119.105 -0.536 25638 260 1 . 1 1 47 47 CYS HA H 47 4.083 4.083 4.086 -0.003 25638 261 1 . 1 1 47 47 CYS C C 47 177.244 177.244 176.989 0.255 25638 262 1 . 1 1 47 47 CYS CA C 47 64.104 64.104 64.005 0.099 25638 263 1 . 1 1 47 47 CYS CB C 47 27.063 27.063 27.277 -0.214 25638 264 1 . 1 1 47 47 CYS H H 47 8.029 8.029 8.431 -0.402 25638 265 1 . 1 1 48 48 LEU N N 48 119.873 119.873 121.840 -1.967 25638 266 1 . 1 1 48 48 LEU HA H 48 4.069 4.069 4.033 0.036 25638 267 1 . 1 1 48 48 LEU C C 48 179.839 179.839 178.898 0.941 25638 268 1 . 1 1 48 48 LEU CA C 48 58.313 58.313 58.422 -0.110 25638 269 1 . 1 1 48 48 LEU CB C 48 42.225 42.225 41.942 0.283 25638 270 1 . 1 1 48 48 LEU H H 48 8.539 8.539 8.421 0.118 25638 271 1 . 1 1 49 49 ILE N N 49 119.523 119.523 116.084 3.439 25638 272 1 . 1 1 49 49 ILE HA H 49 3.970 3.970 4.062 -0.092 25638 273 1 . 1 1 49 49 ILE C C 49 178.188 178.188 177.739 0.449 25638 274 1 . 1 1 49 49 ILE CA C 49 66.211 66.211 65.254 0.957 25638 275 1 . 1 1 49 49 ILE CB C 49 37.995 37.995 37.354 0.641 25638 276 1 . 1 1 49 49 ILE H H 49 8.516 8.516 8.499 0.017 25638 277 1 . 1 1 50 50 LYS N N 50 118.622 118.622 120.348 -1.726 25638 278 1 . 1 1 50 50 LYS HA H 50 4.193 4.193 4.137 0.056 25638 279 1 . 1 1 50 50 LYS C C 50 181.391 181.391 179.091 2.300 25638 280 1 . 1 1 50 50 LYS CA C 50 59.547 59.547 59.417 0.130 25638 281 1 . 1 1 50 50 LYS CB C 50 32.590 32.590 32.130 0.460 25638 282 1 . 1 1 50 50 LYS H H 50 7.522 7.522 7.735 -0.213 25638 283 1 . 1 1 51 51 ILE N N 51 119.288 119.288 120.011 -0.723 25638 284 1 . 1 1 51 51 ILE HA H 51 3.449 3.449 3.591 -0.142 25638 285 1 . 1 1 51 51 ILE C C 51 178.384 178.384 177.777 0.607 25638 286 1 . 1 1 51 51 ILE CA C 51 65.767 65.767 65.777 -0.010 25638 287 1 . 1 1 51 51 ILE CB C 51 38.980 38.980 37.818 1.162 25638 288 1 . 1 1 51 51 ILE H H 51 8.107 8.107 8.388 -0.281 25638 289 1 . 1 1 52 52 GLY N N 52 108.211 108.211 106.756 1.455 25638 290 1 . 1 1 52 52 GLY C C 52 178.168 178.168 175.333 2.835 25638 291 1 . 1 1 52 52 GLY CA C 52 47.064 47.064 46.543 0.521 25638 292 1 . 1 1 52 52 GLY H H 52 9.224 9.224 8.183 1.041 25638 293 1 . 1 1 53 53 ASP N N 53 124.013 124.013 123.187 0.826 25638 294 1 . 1 1 53 53 ASP HA H 53 4.534 4.534 4.445 0.089 25638 295 1 . 1 1 53 53 ASP C C 53 179.976 179.976 178.158 1.818 25638 296 1 . 1 1 53 53 ASP CA C 53 57.628 57.628 57.415 0.213 25638 297 1 . 1 1 53 53 ASP CB C 53 39.282 39.282 40.882 -1.600 25638 298 1 . 1 1 53 53 ASP H H 53 9.091 9.091 8.363 0.728 25638 299 1 . 1 1 54 54 HIS N N 54 121.598 121.598 119.002 2.596 25638 300 1 . 1 1 54 54 HIS HA H 54 4.406 4.406 4.271 0.135 25638 301 1 . 1 1 54 54 HIS C C 54 178.982 178.982 177.924 1.058 25638 302 1 . 1 1 54 54 HIS CA C 54 60.460 60.460 59.769 0.691 25638 303 1 . 1 1 54 54 HIS CB C 54 31.567 31.567 29.781 1.786 25638 304 1 . 1 1 54 54 HIS H H 54 7.664 7.664 8.000 -0.336 25638 305 1 . 1 1 55 55 ILE N N 55 121.892 121.892 120.485 1.407 25638 306 1 . 1 1 55 55 ILE HA H 55 3.184 3.184 3.479 -0.295 25638 307 1 . 1 1 55 55 ILE C C 55 178.188 178.188 177.671 0.517 25638 308 1 . 1 1 55 55 ILE CA C 55 67.677 67.677 65.626 2.051 25638 309 1 . 1 1 55 55 ILE CB C 55 37.244 37.244 37.394 -0.150 25638 310 1 . 1 1 55 55 ILE H H 55 8.255 8.255 8.345 -0.090 25638 311 1 . 1 1 56 56 THR N N 56 115.458 115.458 116.276 -0.817 25638 312 1 . 1 1 56 56 THR HA H 56 3.759 3.759 3.875 -0.116 25638 313 1 . 1 1 56 56 THR C C 56 180.195 180.195 176.819 3.376 25638 314 1 . 1 1 56 56 THR CA C 56 67.551 67.551 67.078 0.473 25638 315 1 . 1 1 56 56 THR CB C 56 68.756 68.756 68.429 0.327 25638 316 1 . 1 1 56 56 THR H H 56 8.047 8.047 7.843 0.204 25638 317 1 . 1 1 57 57 GLU N N 57 121.544 121.544 120.607 0.937 25638 318 1 . 1 1 57 57 GLU HA H 57 3.954 3.954 4.049 -0.095 25638 319 1 . 1 1 57 57 GLU C C 57 180.979 180.979 178.335 2.644 25638 320 1 . 1 1 57 57 GLU CA C 57 59.379 59.379 58.970 0.409 25638 321 1 . 1 1 57 57 GLU CB C 57 28.740 28.740 29.105 -0.365 25638 322 1 . 1 1 57 57 GLU H H 57 7.591 7.591 8.418 -0.827 25638 323 1 . 1 1 58 58 CYS N N 58 118.970 118.970 117.701 1.269 25638 324 1 . 1 1 58 58 CYS HA H 58 3.940 3.940 4.041 -0.101 25638 325 1 . 1 1 58 58 CYS C C 58 178.089 178.089 176.902 1.187 25638 326 1 . 1 1 58 58 CYS CA C 58 63.222 63.222 62.474 0.748 25638 327 1 . 1 1 58 58 CYS CB C 58 26.562 26.562 27.706 -1.144 25638 328 1 . 1 1 58 58 CYS H H 58 8.206 8.206 7.627 0.579 25638 329 1 . 1 1 59 59 LEU N N 59 116.873 116.873 120.250 -3.377 25638 330 1 . 1 1 59 59 LEU HA H 59 4.251 4.251 4.106 0.145 25638 331 1 . 1 1 59 59 LEU C C 59 179.033 179.033 178.796 0.237 25638 332 1 . 1 1 59 59 LEU CA C 59 56.039 56.039 57.187 -1.147 25638 333 1 . 1 1 59 59 LEU CB C 59 41.037 41.037 41.361 -0.324 25638 334 1 . 1 1 59 59 LEU H H 59 7.726 7.726 8.243 -0.517 25638 335 1 . 1 1 60 60 LYS N N 60 117.911 117.911 117.760 0.151 25638 336 1 . 1 1 60 60 LYS HA H 60 4.131 4.131 4.041 0.090 25638 337 1 . 1 1 60 60 LYS C C 60 177.912 177.912 177.419 0.493 25638 338 1 . 1 1 60 60 LYS CA C 60 58.537 58.537 58.523 0.014 25638 339 1 . 1 1 60 60 LYS CB C 60 32.390 32.390 31.722 0.668 25638 340 1 . 1 1 60 60 LYS H H 60 7.298 7.298 7.950 -0.652 25638 341 1 . 1 1 61 61 GLU N N 61 115.507 115.507 117.933 -2.426 25638 342 1 . 1 1 61 61 GLU HA H 61 3.889 3.889 3.982 -0.093 25638 343 1 . 1 1 61 61 GLU C C 61 176.576 176.576 176.880 -0.304 25638 344 1 . 1 1 61 61 GLU CA C 61 57.051 57.051 57.709 -0.658 25638 345 1 . 1 1 61 61 GLU CB C 61 29.734 29.734 29.818 -0.084 25638 346 1 . 1 1 61 61 GLU H H 61 7.084 7.084 7.438 -0.354 25638 347 1 . 1 1 62 62 TYR N N 62 118.581 118.581 117.900 0.681 25638 348 1 . 1 1 62 62 TYR HA H 62 4.706 4.706 4.507 0.199 25638 349 1 . 1 1 62 62 TYR C C 62 175.935 175.935 176.444 -0.509 25638 350 1 . 1 1 62 62 TYR CA C 62 57.147 57.147 57.960 -0.813 25638 351 1 . 1 1 62 62 TYR CB C 62 40.385 40.385 38.851 1.534 25638 352 1 . 1 1 62 62 TYR H H 62 7.387 7.387 7.209 0.178 25638 353 1 . 1 1 63 63 THR N N 63 109.064 109.064 113.426 -4.362 25638 354 1 . 1 1 63 63 THR HA H 63 4.507 4.507 4.300 0.207 25638 355 1 . 1 1 63 63 THR C C 63 175.888 175.888 175.047 0.841 25638 356 1 . 1 1 63 63 THR CA C 63 61.684 61.684 62.330 -0.646 25638 357 1 . 1 1 63 63 THR CB C 63 70.092 70.092 69.532 0.560 25638 358 1 . 1 1 63 63 THR H H 63 8.471 8.471 8.377 0.094 25638 359 1 . 1 1 64 64 ASN N N 64 123.204 123.204 121.362 1.842 25638 360 1 . 1 1 64 64 ASN HA H 64 5.171 5.171 4.936 0.235 25638 361 1 . 1 1 64 64 ASN C C 64 175.495 175.495 175.138 0.357 25638 362 1 . 1 1 64 64 ASN CA C 64 51.137 51.137 51.887 -0.750 25638 363 1 . 1 1 64 64 ASN CB C 64 39.680 39.680 38.971 0.709 25638 364 1 . 1 1 64 64 ASN H H 64 7.993 7.993 8.184 -0.191 25638 365 1 . 1 1 65 65 PRO HA H 65 4.270 4.270 4.311 -0.041 25638 366 1 . 1 1 65 65 PRO CA C 65 65.692 65.692 65.557 0.135 25638 367 1 . 1 1 65 65 PRO CB C 65 32.399 32.399 32.084 0.315 25638 368 1 . 1 1 66 66 GLU N N 66 118.060 118.060 118.729 -0.669 25638 369 1 . 1 1 66 66 GLU HA H 66 4.132 4.132 4.034 0.098 25638 370 1 . 1 1 66 66 GLU C C 66 180.409 180.409 178.981 1.428 25638 371 1 . 1 1 66 66 GLU CA C 66 59.374 59.374 59.868 -0.495 25638 372 1 . 1 1 66 66 GLU CB C 66 28.803 28.803 28.764 0.039 25638 373 1 . 1 1 66 66 GLU H H 66 8.297 8.297 8.853 -0.556 25638 374 1 . 1 1 67 67 GLN N N 67 120.531 120.531 118.758 1.773 25638 375 1 . 1 1 67 67 GLN HA H 67 4.167 4.167 3.989 0.178 25638 376 1 . 1 1 67 67 GLN C C 67 179.072 179.072 178.666 0.406 25638 377 1 . 1 1 67 67 GLN CA C 67 58.828 58.828 59.012 -0.184 25638 378 1 . 1 1 67 67 GLN CB C 67 29.243 29.243 28.568 0.675 25638 379 1 . 1 1 67 67 GLN H H 67 7.738 7.738 7.978 -0.240 25638 380 1 . 1 1 68 68 ILE N N 68 119.632 119.632 117.963 1.669 25638 381 1 . 1 1 68 68 ILE HA H 68 3.548 3.548 3.961 -0.413 25638 382 1 . 1 1 68 68 ILE C C 68 178.109 178.109 177.964 0.145 25638 383 1 . 1 1 68 68 ILE CA C 68 66.597 66.597 64.995 1.602 25638 384 1 . 1 1 68 68 ILE CB C 68 38.939 38.939 37.495 1.444 25638 385 1 . 1 1 68 68 ILE H H 68 7.956 7.956 8.279 -0.323 25638 386 1 . 1 1 69 69 LYS N N 69 117.236 117.236 119.888 -2.652 25638 387 1 . 1 1 69 69 LYS HA H 69 3.929 3.929 4.013 -0.084 25638 388 1 . 1 1 69 69 LYS C C 69 180.271 180.271 178.968 1.303 25638 389 1 . 1 1 69 69 LYS CA C 69 59.921 59.921 59.423 0.498 25638 390 1 . 1 1 69 69 LYS CB C 69 32.607 32.607 32.165 0.442 25638 391 1 . 1 1 69 69 LYS H H 69 7.665 7.665 8.073 -0.408 25638 392 1 . 1 1 70 70 GLN N N 70 118.748 118.748 119.974 -1.226 25638 393 1 . 1 1 70 70 GLN HA H 70 3.855 3.855 4.033 -0.178 25638 394 1 . 1 1 70 70 GLN C C 70 179.131 179.131 178.155 0.976 25638 395 1 . 1 1 70 70 GLN CA C 70 58.252 58.252 58.862 -0.610 25638 396 1 . 1 1 70 70 GLN CB C 70 28.677 28.677 28.360 0.317 25638 397 1 . 1 1 70 70 GLN H H 70 7.787 7.787 8.134 -0.347 25638 398 1 . 1 1 71 71 TRP N N 71 118.896 118.896 119.886 -0.990 25638 399 1 . 1 1 71 71 TRP HA H 71 4.043 4.043 4.290 -0.247 25638 400 1 . 1 1 71 71 TRP C C 71 178.679 178.679 178.672 0.007 25638 401 1 . 1 1 71 71 TRP CA C 71 61.949 61.949 60.203 1.746 25638 402 1 . 1 1 71 71 TRP CB C 71 28.244 28.244 29.320 -1.075 25638 403 1 . 1 1 71 71 TRP H H 71 8.374 8.374 8.553 -0.179 25638 404 1 . 1 1 72 72 ARG N N 72 122.698 122.698 119.223 3.475 25638 405 1 . 1 1 72 72 ARG HA H 72 3.819 3.819 3.983 -0.164 25638 406 1 . 1 1 72 72 ARG C C 72 178.561 178.561 178.321 0.240 25638 407 1 . 1 1 72 72 ARG CA C 72 61.032 61.032 59.863 1.169 25638 408 1 . 1 1 72 72 ARG CB C 72 30.269 30.269 30.009 0.260 25638 409 1 . 1 1 72 72 ARG H H 72 8.808 8.808 8.371 0.437 25638 410 1 . 1 1 73 73 LYS N N 73 116.946 116.946 118.499 -1.553 25638 411 1 . 1 1 73 73 LYS HA H 73 4.180 4.180 4.251 -0.072 25638 412 1 . 1 1 73 73 LYS C C 73 179.622 179.622 178.832 0.790 25638 413 1 . 1 1 73 73 LYS CA C 73 59.535 59.535 59.522 0.013 25638 414 1 . 1 1 73 73 LYS CB C 73 31.715 31.715 32.357 -0.642 25638 415 1 . 1 1 73 73 LYS H H 73 7.380 7.380 7.822 -0.442 25638 416 1 . 1 1 74 74 ASN N N 74 116.434 116.434 119.612 -3.178 25638 417 1 . 1 1 74 74 ASN HA H 74 4.277 4.277 4.544 -0.267 25638 418 1 . 1 1 74 74 ASN C C 74 178.148 178.148 177.979 0.169 25638 419 1 . 1 1 74 74 ASN CA C 74 55.863 55.863 56.178 -0.315 25638 420 1 . 1 1 74 74 ASN CB C 74 38.034 38.034 38.157 -0.124 25638 421 1 . 1 1 74 74 ASN H H 74 8.309 8.309 8.437 -0.128 25638 422 1 . 1 1 75 75 LEU N N 75 118.967 118.967 121.083 -2.116 25638 423 1 . 1 1 75 75 LEU HA H 75 4.125 4.125 4.191 -0.066 25638 424 1 . 1 1 75 75 LEU C C 75 180.251 180.251 178.850 1.401 25638 425 1 . 1 1 75 75 LEU CA C 75 58.827 58.827 58.844 -0.017 25638 426 1 . 1 1 75 75 LEU CB C 75 40.984 40.984 41.453 -0.469 25638 427 1 . 1 1 75 75 LEU H H 75 8.635 8.635 8.530 0.105 25638 428 1 . 1 1 76 76 TRP N N 76 118.544 118.544 119.433 -0.889 25638 429 1 . 1 1 76 76 TRP HA H 76 4.579 4.579 4.292 0.287 25638 430 1 . 1 1 76 76 TRP C C 76 180.900 180.900 179.197 1.703 25638 431 1 . 1 1 76 76 TRP CA C 76 61.416 61.416 60.492 0.924 25638 432 1 . 1 1 76 76 TRP CB C 76 29.098 29.098 29.445 -0.347 25638 433 1 . 1 1 76 76 TRP H H 76 8.006 8.006 7.577 0.429 25638 434 1 . 1 1 77 77 ILE N N 77 121.982 121.982 119.723 2.259 25638 435 1 . 1 1 77 77 ILE HA H 77 3.831 3.831 3.745 0.086 25638 436 1 . 1 1 77 77 ILE C C 77 181.254 181.254 178.172 3.082 25638 437 1 . 1 1 77 77 ILE CA C 77 66.041 66.041 65.401 0.640 25638 438 1 . 1 1 77 77 ILE CB C 77 37.350 37.350 38.082 -0.732 25638 439 1 . 1 1 77 77 ILE H H 77 8.893 8.893 8.709 0.184 25638 440 1 . 1 1 78 78 PHE N N 78 123.458 123.458 121.143 2.315 25638 441 1 . 1 1 78 78 PHE HA H 78 4.044 4.044 4.223 -0.179 25638 442 1 . 1 1 78 78 PHE C C 78 177.618 177.618 177.550 0.068 25638 443 1 . 1 1 78 78 PHE CA C 78 63.080 63.080 61.700 1.380 25638 444 1 . 1 1 78 78 PHE CB C 78 38.710 38.710 39.081 -0.371 25638 445 1 . 1 1 78 78 PHE H H 78 8.753 8.753 8.307 0.446 25638 446 1 . 1 1 79 79 VAL N N 79 117.726 117.726 118.775 -1.049 25638 447 1 . 1 1 79 79 VAL HA H 79 3.479 3.479 3.538 -0.059 25638 448 1 . 1 1 79 79 VAL C C 79 178.876 178.876 178.304 0.572 25638 449 1 . 1 1 79 79 VAL CA C 79 66.813 66.813 66.285 0.528 25638 450 1 . 1 1 79 79 VAL CB C 79 31.572 31.572 31.208 0.364 25638 451 1 . 1 1 79 79 VAL H H 79 8.232 8.232 8.404 -0.172 25638 452 1 . 1 1 80 80 SER N N 80 114.568 114.568 115.050 -0.482 25638 453 1 . 1 1 80 80 SER HA H 80 4.339 4.339 4.416 -0.077 25638 454 1 . 1 1 80 80 SER C C 80 176.261 176.261 176.208 0.053 25638 455 1 . 1 1 80 80 SER CA C 80 61.337 61.337 61.124 0.213 25638 456 1 . 1 1 80 80 SER CB C 80 62.712 62.712 62.818 -0.106 25638 457 1 . 1 1 80 80 SER H H 80 8.353 8.353 8.325 0.029 25638 458 1 . 1 1 81 81 LYS N N 81 121.180 121.180 120.640 0.540 25638 459 1 . 1 1 81 81 LYS HA H 81 4.198 4.198 4.180 0.018 25638 460 1 . 1 1 81 81 LYS C C 81 178.305 178.305 177.858 0.447 25638 461 1 . 1 1 81 81 LYS CA C 81 57.104 57.104 58.022 -0.918 25638 462 1 . 1 1 81 81 LYS CB C 81 30.659 30.659 32.325 -1.666 25638 463 1 . 1 1 81 81 LYS H H 81 7.481 7.481 7.469 0.012 25638 464 1 . 1 1 82 82 PHE N N 82 117.950 117.950 118.370 -0.420 25638 465 1 . 1 1 82 82 PHE HA H 82 4.397 4.397 4.545 -0.148 25638 466 1 . 1 1 82 82 PHE C C 82 174.787 174.787 175.513 -0.726 25638 467 1 . 1 1 82 82 PHE CA C 82 58.398 58.398 58.698 -0.300 25638 468 1 . 1 1 82 82 PHE CB C 82 38.937 38.937 38.498 0.439 25638 469 1 . 1 1 82 82 PHE H H 82 8.256 8.256 7.893 0.363 25638 470 1 . 1 1 83 83 THR N N 83 109.995 109.995 111.749 -1.754 25638 471 1 . 1 1 83 83 THR HA H 83 4.988 4.988 4.579 0.409 25638 472 1 . 1 1 83 83 THR C C 83 174.138 174.138 173.960 0.178 25638 473 1 . 1 1 83 83 THR CA C 83 59.609 59.609 60.411 -0.802 25638 474 1 . 1 1 83 83 THR CB C 83 71.080 71.080 70.641 0.440 25638 475 1 . 1 1 83 83 THR H H 83 7.665 7.665 7.541 0.124 25638 476 1 . 1 1 84 84 GLU N N 84 119.416 119.416 120.876 -1.460 25638 477 1 . 1 1 84 84 GLU HA H 84 4.395 4.395 4.261 0.135 25638 478 1 . 1 1 84 84 GLU C C 84 177.912 177.912 176.448 1.464 25638 479 1 . 1 1 84 84 GLU CA C 84 56.496 56.496 57.445 -0.949 25638 480 1 . 1 1 84 84 GLU CB C 84 29.522 29.522 29.822 -0.300 25638 481 1 . 1 1 84 84 GLU H H 84 8.409 8.409 8.680 -0.271 25638 482 1 . 1 1 85 85 PHE N N 85 120.265 120.265 120.511 -0.246 25638 483 1 . 1 1 85 85 PHE HA H 85 4.891 4.891 4.571 0.320 25638 484 1 . 1 1 85 85 PHE C C 85 175.809 175.809 175.176 0.633 25638 485 1 . 1 1 85 85 PHE CA C 85 56.109 56.109 57.004 -0.895 25638 486 1 . 1 1 85 85 PHE CB C 85 41.188 41.188 39.171 2.017 25638 487 1 . 1 1 85 85 PHE H H 85 8.210 8.210 7.553 0.657 25638 488 1 . 1 1 86 86 ASP N N 86 118.128 118.128 124.321 -6.193 25638 489 1 . 1 1 86 86 ASP HA H 86 4.736 4.736 4.562 0.174 25638 490 1 . 1 1 86 86 ASP C C 86 176.986 176.986 177.395 -0.409 25638 491 1 . 1 1 86 86 ASP CA C 86 53.183 53.183 55.375 -2.192 25638 492 1 . 1 1 86 86 ASP CB C 86 42.533 42.533 42.587 -0.054 25638 493 1 . 1 1 86 86 ASP H H 86 8.119 8.119 8.564 -0.445 25638 494 1 . 1 1 87 87 ALA N N 87 121.912 121.912 126.387 -4.475 25638 495 1 . 1 1 87 87 ALA HA H 87 3.989 3.989 4.014 -0.025 25638 496 1 . 1 1 87 87 ALA C C 87 180.378 180.378 179.266 1.112 25638 497 1 . 1 1 87 87 ALA CA C 87 56.075 56.075 55.321 0.754 25638 498 1 . 1 1 87 87 ALA CB C 87 20.207 20.207 18.917 1.290 25638 499 1 . 1 1 87 87 ALA H H 87 8.757 8.757 8.558 0.199 25638 500 1 . 1 1 88 88 ARG N N 88 117.072 117.072 117.648 -0.576 25638 501 1 . 1 1 88 88 ARG HA H 88 3.956 3.956 3.992 -0.037 25638 502 1 . 1 1 88 88 ARG C C 88 179.975 179.975 178.200 1.775 25638 503 1 . 1 1 88 88 ARG CA C 88 59.252 59.252 59.108 0.144 25638 504 1 . 1 1 88 88 ARG CB C 88 29.613 29.613 29.944 -0.331 25638 505 1 . 1 1 88 88 ARG H H 88 8.147 8.147 8.486 -0.338 25638 506 1 . 1 1 89 89 LYS N N 89 121.809 121.809 119.544 2.265 25638 507 1 . 1 1 89 89 LYS HA H 89 3.909 3.909 4.084 -0.175 25638 508 1 . 1 1 89 89 LYS C C 89 179.505 179.505 178.742 0.763 25638 509 1 . 1 1 89 89 LYS CA C 89 58.986 58.986 58.777 0.209 25638 510 1 . 1 1 89 89 LYS CB C 89 32.334 32.334 32.136 0.199 25638 511 1 . 1 1 89 89 LYS H H 89 8.022 8.022 7.735 0.287 25638 512 1 . 1 1 90 90 LEU N N 90 118.429 118.429 120.890 -2.461 25638 513 1 . 1 1 90 90 LEU HA H 90 3.744 3.744 3.790 -0.046 25638 514 1 . 1 1 90 90 LEU C C 90 178.069 178.069 177.872 0.197 25638 515 1 . 1 1 90 90 LEU CA C 90 58.043 58.043 58.410 -0.367 25638 516 1 . 1 1 90 90 LEU CB C 90 42.462 42.462 41.819 0.643 25638 517 1 . 1 1 90 90 LEU H H 90 8.139 8.139 8.654 -0.515 25638 518 1 . 1 1 91 91 HIS N N 91 117.214 117.214 116.698 0.516 25638 519 1 . 1 1 91 91 HIS HA H 91 3.979 3.979 3.370 0.609 25638 520 1 . 1 1 91 91 HIS C C 91 178.069 178.069 177.078 0.991 25638 521 1 . 1 1 91 91 HIS CA C 91 58.178 58.178 58.857 -0.679 25638 522 1 . 1 1 91 91 HIS CB C 91 29.428 29.428 29.029 0.399 25638 523 1 . 1 1 91 91 HIS H H 91 7.379 7.379 7.550 -0.171 25638 524 1 . 1 1 92 92 LYS N N 92 118.466 118.466 119.827 -1.361 25638 525 1 . 1 1 92 92 LYS HA H 92 3.635 3.635 3.820 -0.185 25638 526 1 . 1 1 92 92 LYS C C 92 180.310 180.310 178.762 1.548 25638 527 1 . 1 1 92 92 LYS CA C 92 59.924 59.924 59.149 0.775 25638 528 1 . 1 1 92 92 LYS CB C 92 32.365 32.365 32.089 0.276 25638 529 1 . 1 1 92 92 LYS H H 92 7.599 7.599 7.406 0.193 25638 530 1 . 1 1 93 93 LEU N N 93 120.752 120.752 120.939 -0.187 25638 531 1 . 1 1 93 93 LEU HA H 93 3.983 3.983 3.880 0.103 25638 532 1 . 1 1 93 93 LEU C C 93 181.269 181.269 178.900 2.369 25638 533 1 . 1 1 93 93 LEU CA C 93 58.000 58.000 58.228 -0.228 25638 534 1 . 1 1 93 93 LEU CB C 93 42.339 42.339 41.492 0.847 25638 535 1 . 1 1 93 93 LEU H H 93 8.351 8.351 8.179 0.172 25638 536 1 . 1 1 94 94 TYR N N 94 122.311 122.311 119.835 2.476 25638 537 1 . 1 1 94 94 TYR HA H 94 4.136 4.136 4.025 0.111 25638 538 1 . 1 1 94 94 TYR C C 94 176.789 176.789 177.402 -0.613 25638 539 1 . 1 1 94 94 TYR CA C 94 61.300 61.300 61.601 -0.301 25638 540 1 . 1 1 94 94 TYR CB C 94 38.578 38.578 38.362 0.216 25638 541 1 . 1 1 94 94 TYR H H 94 8.290 8.290 8.597 -0.307 25638 542 1 . 1 1 95 95 LYS N N 95 117.851 117.851 118.784 -0.933 25638 543 1 . 1 1 95 95 LYS HA H 95 3.426 3.426 3.591 -0.165 25638 544 1 . 1 1 95 95 LYS C C 95 180.684 180.684 178.858 1.826 25638 545 1 . 1 1 95 95 LYS CA C 95 59.379 59.379 59.664 -0.285 25638 546 1 . 1 1 95 95 LYS CB C 95 31.248 31.248 32.080 -0.833 25638 547 1 . 1 1 95 95 LYS H H 95 8.180 8.180 8.059 0.121 25638 548 1 . 1 1 96 96 HIS N N 96 117.611 117.611 118.001 -0.390 25638 549 1 . 1 1 96 96 HIS HA H 96 4.213 4.213 4.248 -0.035 25638 550 1 . 1 1 96 96 HIS C C 96 178.266 178.266 177.321 0.945 25638 551 1 . 1 1 96 96 HIS CA C 96 59.274 59.274 59.216 0.058 25638 552 1 . 1 1 96 96 HIS CB C 96 30.203 30.203 29.717 0.486 25638 553 1 . 1 1 96 96 HIS H H 96 8.049 8.049 8.191 -0.142 25638 554 1 . 1 1 97 97 ALA N N 97 122.617 122.617 122.287 0.330 25638 555 1 . 1 1 97 97 ALA HA H 97 4.091 4.091 4.003 0.088 25638 556 1 . 1 1 97 97 ALA C C 97 181.352 181.352 179.536 1.816 25638 557 1 . 1 1 97 97 ALA CA C 97 54.645 54.645 54.977 -0.332 25638 558 1 . 1 1 97 97 ALA CB C 97 17.769 17.769 18.208 -0.439 25638 559 1 . 1 1 97 97 ALA H H 97 8.104 8.104 8.033 0.071 25638 560 1 . 1 1 98 98 ILE N N 98 111.626 111.626 118.958 -7.332 25638 561 1 . 1 1 98 98 ILE HA H 98 4.109 4.109 3.601 0.508 25638 562 1 . 1 1 98 98 ILE C C 98 178.561 178.561 177.421 1.140 25638 563 1 . 1 1 98 98 ILE CA C 98 62.730 62.730 64.018 -1.288 25638 564 1 . 1 1 98 98 ILE CB C 98 37.646 37.646 37.917 -0.271 25638 565 1 . 1 1 98 98 ILE H H 98 7.636 7.636 7.919 -0.283 25638 566 1 . 1 1 99 99 LYS N N 99 124.158 124.158 119.728 4.429 25638 567 1 . 1 1 99 99 LYS HA H 99 4.045 4.045 3.964 0.081 25638 568 1 . 1 1 99 99 LYS C C 99 179.111 179.111 178.646 0.465 25638 569 1 . 1 1 99 99 LYS CA C 99 59.070 59.070 59.046 0.024 25638 570 1 . 1 1 99 99 LYS CB C 99 32.172 32.172 32.059 0.113 25638 571 1 . 1 1 99 99 LYS H H 99 7.359 7.359 8.024 -0.665 25638 572 1 . 1 1 100 100 LYS N N 100 118.333 118.333 118.318 0.015 25638 573 1 . 1 1 100 100 LYS HA H 100 4.143 4.143 4.023 0.120 25638 574 1 . 1 1 100 100 LYS C C 100 179.111 179.111 178.626 0.485 25638 575 1 . 1 1 100 100 LYS CA C 100 57.212 57.212 58.611 -1.399 25638 576 1 . 1 1 100 100 LYS CB C 100 31.742 31.742 32.277 -0.535 25638 577 1 . 1 1 100 100 LYS H H 100 7.937 7.937 7.933 0.004 25638 578 1 . 1 1 101 101 ARG N N 101 121.125 121.125 117.734 3.391 25638 579 1 . 1 1 101 101 ARG HA H 101 4.129 4.129 4.215 -0.086 25638 580 1 . 1 1 101 101 ARG C C 101 178.541 178.541 177.089 1.452 25638 581 1 . 1 1 101 101 ARG CA C 101 58.166 58.166 57.022 1.144 25638 582 1 . 1 1 101 101 ARG CB C 101 30.591 30.591 30.625 -0.034 25638 583 1 . 1 1 101 101 ARG H H 101 7.895 7.895 7.712 0.183 25638 584 1 . 1 1 102 102 GLN N N 102 119.756 119.756 117.739 2.017 25638 585 1 . 1 1 102 102 GLN HA H 102 4.207 4.207 4.262 -0.055 25638 586 1 . 1 1 102 102 GLN C C 102 178.129 178.129 174.890 3.238 25638 587 1 . 1 1 102 102 GLN CA C 102 56.912 56.912 56.068 0.844 25638 588 1 . 1 1 102 102 GLN CB C 102 28.921 28.921 29.061 -0.140 25638 589 1 . 1 1 102 102 GLN H H 102 8.167 8.167 7.935 0.232 25638 590 1 . 1 1 103 103 GLU N N 103 120.553 120.553 120.961 -0.408 25638 591 1 . 1 1 103 103 GLU HA H 103 4.200 4.200 4.282 -0.082 25638 592 1 . 1 1 103 103 GLU C C 103 178.286 178.286 175.758 2.528 25638 593 1 . 1 1 103 103 GLU CA C 103 57.505 57.505 56.695 0.810 25638 594 1 . 1 1 103 103 GLU CB C 103 29.924 29.924 29.725 0.199 25638 595 1 . 1 1 103 103 GLU H H 103 8.189 8.189 8.528 -0.339 25638 596 1 . 1 1 104 104 SER N N 104 115.381 115.381 116.986 -1.605 25638 597 1 . 1 1 104 104 SER HA H 104 4.431 4.431 4.457 -0.026 25638 598 1 . 1 1 104 104 SER C C 104 175.750 175.750 174.152 1.598 25638 599 1 . 1 1 104 104 SER CA C 104 59.154 59.154 58.427 0.727 25638 600 1 . 1 1 104 104 SER CB C 104 63.456 63.456 63.748 -0.292 25638 601 1 . 1 1 104 104 SER H H 104 8.099 8.099 8.287 -0.188 25638 602 1 . 1 1 105 105 GLN N N 105 121.635 121.635 121.159 0.476 25638 603 1 . 1 1 105 105 GLN HA H 105 4.335 4.335 4.314 0.021 25638 604 1 . 1 1 105 105 GLN C C 105 177.008 177.008 175.169 1.839 25638 605 1 . 1 1 105 105 GLN CA C 105 56.053 56.053 56.399 -0.346 25638 606 1 . 1 1 105 105 GLN CB C 105 29.128 29.128 29.286 -0.158 25638 607 1 . 1 1 105 105 GLN H H 105 8.170 8.170 8.396 -0.226 25638 608 1 . 1 1 106 106 GLN N N 106 120.850 120.850 119.945 0.905 25638 609 1 . 1 1 106 106 GLN HA H 106 4.331 4.331 4.330 0.001 25638 610 1 . 1 1 106 106 GLN C C 106 176.713 176.713 175.119 1.594 25638 611 1 . 1 1 106 106 GLN CA C 106 55.951 55.951 55.757 0.194 25638 612 1 . 1 1 106 106 GLN CB C 106 29.254 29.254 29.795 -0.541 25638 613 1 . 1 1 106 106 GLN H H 106 8.281 8.281 8.355 -0.074 25638 614 1 . 1 1 107 107 ASN N N 107 120.271 120.271 118.510 1.761 25638 615 1 . 1 1 107 107 ASN HA H 107 4.790 4.790 4.683 0.107 25638 616 1 . 1 1 107 107 ASN C C 107 175.337 175.337 174.730 0.607 25638 617 1 . 1 1 107 107 ASN CA C 107 53.353 53.353 53.462 -0.109 25638 618 1 . 1 1 107 107 ASN CB C 107 39.094 39.094 38.534 0.560 25638 619 1 . 1 1 107 107 ASN H H 107 8.434 8.434 8.582 -0.148 25638 stop_ save_