data_17482 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17482 _Entry.PDB_ID 2L9Q 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 17482 _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 SER HA H 2 4.546 4.546 4.652 -0.106 17482 2 1 1 . 1 1 2 2 SER CA C 2 58.499 58.499 58.427 0.072 17482 3 1 1 . 1 1 2 2 SER CB C 2 64.011 64.011 65.034 -1.023 17482 4 1 1 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.847 -0.245 17482 5 1 1 . 1 1 3 3 ASP C C 3 176.010 176.010 174.395 1.615 17482 6 1 1 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.853 -0.117 17482 7 1 1 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.554 -0.285 17482 8 1 1 . 1 1 4 4 ALA N N 4 123.253 123.253 124.792 -1.539 17482 9 1 1 . 1 1 4 4 ALA HA H 4 4.326 4.326 5.054 -0.728 17482 10 1 1 . 1 1 4 4 ALA C C 4 178.097 178.097 176.680 1.417 17482 11 1 1 . 1 1 4 4 ALA CA C 4 52.847 52.847 51.803 1.044 17482 12 1 1 . 1 1 4 4 ALA CB C 4 19.323 19.323 19.908 -0.585 17482 13 1 1 . 1 1 4 4 ALA H H 4 8.095 8.095 8.489 -0.394 17482 14 1 1 . 1 1 5 5 GLY N N 5 107.651 107.651 108.217 -0.566 17482 15 1 1 . 1 1 5 5 GLY C C 5 174.828 174.828 174.252 0.576 17482 16 1 1 . 1 1 5 5 GLY CA C 5 45.448 45.448 45.419 0.029 17482 17 1 1 . 1 1 5 5 GLY H H 5 8.167 8.167 8.762 -0.595 17482 18 1 1 . 1 1 6 6 ARG N N 6 120.230 120.230 122.541 -2.311 17482 19 1 1 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.556 -0.207 17482 20 1 1 . 1 1 6 6 ARG C C 6 176.562 176.562 176.339 0.223 17482 21 1 1 . 1 1 6 6 ARG CA C 6 56.399 56.399 55.216 1.183 17482 22 1 1 . 1 1 6 6 ARG CB C 6 30.831 30.831 32.757 -1.926 17482 23 1 1 . 1 1 6 6 ARG H H 6 8.060 8.060 8.276 -0.216 17482 24 1 1 . 1 1 7 7 LYS N N 7 121.076 121.076 120.175 0.901 17482 25 1 1 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.487 -0.230 17482 26 1 1 . 1 1 7 7 LYS C C 7 177.010 177.010 178.457 -1.447 17482 27 1 1 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.040 0.880 17482 28 1 1 . 1 1 7 7 LYS CB C 7 32.831 32.831 32.786 0.045 17482 29 1 1 . 1 1 7 7 LYS H H 7 8.181 8.181 8.366 -0.185 17482 30 1 1 . 1 1 8 8 GLY N N 8 108.196 108.196 109.273 -1.077 17482 31 1 1 . 1 1 8 8 GLY C C 8 174.828 174.828 175.981 -1.153 17482 32 1 1 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.869 -1.040 17482 33 1 1 . 1 1 8 8 GLY H H 8 8.141 8.141 8.540 -0.399 17482 34 1 1 . 1 1 9 9 PHE N N 9 120.374 120.374 122.082 -1.708 17482 35 1 1 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.344 0.048 17482 36 1 1 . 1 1 9 9 PHE C C 9 176.898 176.898 177.254 -0.356 17482 37 1 1 . 1 1 9 9 PHE CA C 9 59.980 59.980 59.294 0.687 17482 38 1 1 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.144 0.409 17482 39 1 1 . 1 1 9 9 PHE H H 9 8.072 8.072 8.264 -0.192 17482 40 1 1 . 1 1 10 10 GLY N N 10 107.944 107.944 107.791 0.153 17482 41 1 1 . 1 1 10 10 GLY C C 10 175.441 175.441 175.728 -0.287 17482 42 1 1 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.685 -0.863 17482 43 1 1 . 1 1 10 10 GLY H H 10 8.431 8.431 8.544 -0.113 17482 44 1 1 . 1 1 11 11 GLU N N 11 121.098 121.098 122.086 -0.988 17482 45 1 1 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.000 0.100 17482 46 1 1 . 1 1 11 11 GLU C C 11 175.234 175.234 179.179 -3.945 17482 47 1 1 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.855 -0.884 17482 48 1 1 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.355 0.543 17482 49 1 1 . 1 1 11 11 GLU H H 11 8.003 8.003 8.199 -0.196 17482 50 1 1 . 1 1 12 12 LYS N N 12 119.103 119.103 118.208 0.895 17482 51 1 1 . 1 1 12 12 LYS HA H 12 4.144 4.144 3.988 0.156 17482 52 1 1 . 1 1 12 12 LYS C C 12 178.520 178.520 179.083 -0.563 17482 53 1 1 . 1 1 12 12 LYS CA C 12 58.337 58.337 59.284 -0.947 17482 54 1 1 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.152 0.242 17482 55 1 1 . 1 1 12 12 LYS H H 12 7.930 7.930 7.363 0.567 17482 56 1 1 . 1 1 13 13 ALA N N 13 121.534 121.534 122.614 -1.080 17482 57 1 1 . 1 1 13 13 ALA HA H 13 4.011 4.011 4.094 -0.083 17482 58 1 1 . 1 1 13 13 ALA C C 13 178.364 178.364 180.035 -1.671 17482 59 1 1 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.320 -0.592 17482 60 1 1 . 1 1 13 13 ALA CB C 13 18.460 18.460 18.090 0.370 17482 61 1 1 . 1 1 13 13 ALA H H 13 8.216 8.216 8.603 -0.387 17482 62 1 1 . 1 1 14 14 SER N N 14 111.263 111.263 112.430 -1.167 17482 63 1 1 . 1 1 14 14 SER HA H 14 4.114 4.114 4.209 -0.095 17482 64 1 1 . 1 1 14 14 SER C C 14 176.148 176.148 176.890 -0.742 17482 65 1 1 . 1 1 14 14 SER CA C 14 61.159 61.159 61.533 -0.374 17482 66 1 1 . 1 1 14 14 SER CB C 14 63.250 63.250 62.855 0.395 17482 67 1 1 . 1 1 14 14 SER H H 14 8.000 8.000 8.201 -0.201 17482 68 1 1 . 1 1 15 15 GLU N N 15 119.902 119.902 120.360 -0.458 17482 69 1 1 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.131 0.035 17482 70 1 1 . 1 1 15 15 GLU C C 15 177.493 177.493 177.514 -0.021 17482 71 1 1 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.817 -0.804 17482 72 1 1 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.685 0.256 17482 73 1 1 . 1 1 15 15 GLU H H 15 7.724 7.724 7.409 0.316 17482 74 1 1 . 1 1 16 16 ALA N N 16 120.687 120.687 121.454 -0.767 17482 75 1 1 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.091 0.170 17482 76 1 1 . 1 1 16 16 ALA C C 16 177.933 177.933 180.035 -2.102 17482 77 1 1 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.944 -1.169 17482 78 1 1 . 1 1 16 16 ALA CB C 16 19.544 19.544 18.907 0.637 17482 79 1 1 . 1 1 16 16 ALA H H 16 7.726 7.726 8.005 -0.279 17482 80 1 1 . 1 1 17 17 LEU N N 17 116.559 116.559 115.867 0.692 17482 81 1 1 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.149 0.210 17482 82 1 1 . 1 1 17 17 LEU C C 17 176.277 176.277 177.637 -1.360 17482 83 1 1 . 1 1 17 17 LEU CA C 17 54.934 54.934 57.103 -2.169 17482 84 1 1 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.629 0.935 17482 85 1 1 . 1 1 17 17 LEU H H 17 7.634 7.634 7.576 0.058 17482 86 1 1 . 1 1 18 18 LYS N N 18 120.269 120.269 119.110 1.159 17482 87 1 1 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.468 0.099 17482 88 1 1 . 1 1 18 18 LYS CA C 18 54.489 54.489 54.412 0.077 17482 89 1 1 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.399 0.121 17482 90 1 1 . 1 1 18 18 LYS H H 18 7.761 7.761 7.467 0.294 17482 91 1 1 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.535 -0.092 17482 92 1 1 . 1 1 19 19 PRO C C 19 176.984 176.984 176.088 0.896 17482 93 1 1 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.684 1.149 17482 94 1 1 . 1 1 19 19 PRO CB C 19 32.247 32.247 30.641 1.606 17482 95 1 1 . 1 1 20 20 ASP N N 20 119.103 119.103 123.863 -4.760 17482 96 1 1 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.415 0.187 17482 97 1 1 . 1 1 20 20 ASP C C 20 176.639 176.639 176.688 -0.049 17482 98 1 1 . 1 1 20 20 ASP CA C 20 54.497 54.497 55.333 -0.836 17482 99 1 1 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.651 -0.420 17482 100 1 1 . 1 1 20 20 ASP H H 20 8.383 8.383 8.140 0.243 17482 101 1 1 . 1 1 21 21 SER N N 21 115.970 115.970 115.017 0.953 17482 102 1 1 . 1 1 21 21 SER HA H 21 4.376 4.376 4.278 0.098 17482 103 1 1 . 1 1 21 21 SER C C 21 174.889 174.889 174.982 -0.093 17482 104 1 1 . 1 1 21 21 SER CA C 21 59.093 59.093 58.782 0.311 17482 105 1 1 . 1 1 21 21 SER CB C 21 63.860 63.860 63.126 0.734 17482 106 1 1 . 1 1 21 21 SER H H 21 8.054 8.054 8.237 -0.183 17482 107 1 1 . 1 1 22 22 GLN N N 22 120.766 120.766 120.346 0.420 17482 108 1 1 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.139 0.139 17482 109 1 1 . 1 1 22 22 GLN C C 22 175.984 175.984 175.643 0.341 17482 110 1 1 . 1 1 22 22 GLN CA C 22 56.739 56.739 57.601 -0.862 17482 111 1 1 . 1 1 22 22 GLN CB C 22 29.191 29.191 28.982 0.209 17482 112 1 1 . 1 1 22 22 GLN H H 22 8.452 8.452 8.554 -0.102 17482 113 1 1 . 1 1 23 23 LYS N N 23 120.410 120.410 118.019 2.391 17482 114 1 1 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.106 0.231 17482 115 1 1 . 1 1 23 23 LYS C C 23 176.191 176.191 177.595 -1.404 17482 116 1 1 . 1 1 23 23 LYS CA C 23 56.208 56.208 57.145 -0.937 17482 117 1 1 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.457 1.279 17482 118 1 1 . 1 1 23 23 LYS H H 23 7.935 7.935 8.155 -0.220 17482 119 1 1 . 1 1 24 24 SER N N 24 117.302 117.302 115.008 2.294 17482 120 1 1 . 1 1 24 24 SER HA H 24 4.492 4.492 4.410 0.082 17482 121 1 1 . 1 1 24 24 SER C C 24 175.717 175.717 175.935 -0.218 17482 122 1 1 . 1 1 24 24 SER CA C 24 58.145 58.145 60.144 -1.999 17482 123 1 1 . 1 1 24 24 SER CB C 24 63.815 63.815 63.030 0.785 17482 124 1 1 . 1 1 24 24 SER H H 24 8.365 8.365 8.721 -0.356 17482 125 1 1 . 1 1 25 25 TYR N N 25 121.904 121.904 121.696 0.208 17482 126 1 1 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.121 0.261 17482 127 1 1 . 1 1 25 25 TYR C C 25 177.752 177.752 176.790 0.962 17482 128 1 1 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.374 -0.429 17482 129 1 1 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.880 -0.059 17482 130 1 1 . 1 1 25 25 TYR H H 25 8.205 8.205 8.332 -0.127 17482 131 1 1 . 1 1 26 26 ALA N N 26 121.123 121.123 121.073 0.050 17482 132 1 1 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.940 0.117 17482 133 1 1 . 1 1 26 26 ALA C C 26 179.037 179.037 179.878 -0.841 17482 134 1 1 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.437 0.100 17482 135 1 1 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.057 0.417 17482 136 1 1 . 1 1 26 26 ALA H H 26 8.233 8.233 7.798 0.435 17482 137 1 1 . 1 1 27 27 GLU N N 27 117.313 117.313 118.264 -0.951 17482 138 1 1 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.096 -0.079 17482 139 1 1 . 1 1 27 27 GLU C C 27 179.166 179.166 179.015 0.151 17482 140 1 1 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.117 0.361 17482 141 1 1 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.692 0.174 17482 142 1 1 . 1 1 27 27 GLU H H 27 7.922 7.922 7.901 0.021 17482 143 1 1 . 1 1 28 28 GLN N N 28 118.602 118.602 119.399 -0.797 17482 144 1 1 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.965 0.223 17482 145 1 1 . 1 1 28 28 GLN C C 28 179.132 179.132 178.965 0.167 17482 146 1 1 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.838 0.007 17482 147 1 1 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.498 0.884 17482 148 1 1 . 1 1 28 28 GLN H H 28 8.179 8.179 7.687 0.492 17482 149 1 1 . 1 1 29 29 GLY N N 29 107.984 107.984 107.082 0.902 17482 150 1 1 . 1 1 29 29 GLY C C 29 174.518 174.518 175.737 -1.219 17482 151 1 1 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.790 0.796 17482 152 1 1 . 1 1 29 29 GLY H H 29 8.804 8.804 8.704 0.100 17482 153 1 1 . 1 1 30 30 LYS N N 30 121.339 121.339 122.126 -0.787 17482 154 1 1 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.901 0.060 17482 155 1 1 . 1 1 30 30 LYS C C 30 178.925 178.925 179.187 -0.262 17482 156 1 1 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.196 0.204 17482 157 1 1 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.247 0.180 17482 158 1 1 . 1 1 30 30 LYS H H 30 8.406 8.406 7.505 0.901 17482 159 1 1 . 1 1 31 31 GLU N N 31 119.880 119.880 118.470 1.410 17482 160 1 1 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.016 0.024 17482 161 1 1 . 1 1 31 31 GLU C C 31 177.761 177.761 179.009 -1.248 17482 162 1 1 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.386 0.145 17482 163 1 1 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.483 0.048 17482 164 1 1 . 1 1 31 31 GLU H H 31 8.090 8.090 8.193 -0.103 17482 165 1 1 . 1 1 32 32 TYR N N 32 119.786 119.786 121.024 -1.238 17482 166 1 1 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.166 0.105 17482 167 1 1 . 1 1 32 32 TYR C C 32 178.054 178.054 177.745 0.309 17482 168 1 1 . 1 1 32 32 TYR CA C 32 61.720 61.720 62.083 -0.363 17482 169 1 1 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.354 0.577 17482 170 1 1 . 1 1 32 32 TYR H H 32 8.052 8.052 7.743 0.309 17482 171 1 1 . 1 1 33 33 ILE N N 33 116.856 116.856 118.258 -1.402 17482 172 1 1 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.669 0.123 17482 173 1 1 . 1 1 33 33 ILE C C 33 177.519 177.519 178.005 -0.486 17482 174 1 1 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.484 -1.465 17482 175 1 1 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.668 0.443 17482 176 1 1 . 1 1 33 33 ILE H H 33 8.249 8.249 7.878 0.371 17482 177 1 1 . 1 1 34 34 THR N N 34 114.203 114.203 114.804 -0.601 17482 178 1 1 . 1 1 34 34 THR HA H 34 3.934 3.934 3.896 0.038 17482 179 1 1 . 1 1 34 34 THR C C 34 176.579 176.579 176.611 -0.032 17482 180 1 1 . 1 1 34 34 THR CA C 34 66.459 66.459 67.394 -0.935 17482 181 1 1 . 1 1 34 34 THR CB C 34 68.845 68.845 68.578 0.267 17482 182 1 1 . 1 1 34 34 THR H H 34 8.254 8.254 7.859 0.395 17482 183 1 1 . 1 1 35 35 ASP N N 35 121.116 121.116 119.656 1.460 17482 184 1 1 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.495 0.001 17482 185 1 1 . 1 1 35 35 ASP C C 35 177.933 177.933 178.163 -0.230 17482 186 1 1 . 1 1 35 35 ASP CA C 35 57.062 57.062 56.674 0.388 17482 187 1 1 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.816 1.012 17482 188 1 1 . 1 1 35 35 ASP H H 35 7.880 7.880 7.868 0.012 17482 189 1 1 . 1 1 36 36 LYS N N 36 116.457 116.457 119.903 -3.446 17482 190 1 1 . 1 1 36 36 LYS HA H 36 4.157 4.157 3.967 0.190 17482 191 1 1 . 1 1 36 36 LYS C C 36 177.968 177.968 178.632 -0.664 17482 192 1 1 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.909 -2.038 17482 193 1 1 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.230 -0.317 17482 194 1 1 . 1 1 36 36 LYS H H 36 7.677 7.677 7.805 -0.128 17482 195 1 1 . 1 1 37 37 ALA N N 37 121.588 121.588 121.077 0.511 17482 196 1 1 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.071 -0.066 17482 197 1 1 . 1 1 37 37 ALA C C 37 178.795 178.795 179.943 -1.148 17482 198 1 1 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.919 0.412 17482 199 1 1 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.170 0.304 17482 200 1 1 . 1 1 37 37 ALA H H 37 8.296 8.296 8.209 0.087 17482 201 1 1 . 1 1 38 38 ASP N N 38 116.490 116.490 118.275 -1.785 17482 202 1 1 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.478 -0.069 17482 203 1 1 . 1 1 38 38 ASP C C 38 178.347 178.347 178.363 -0.016 17482 204 1 1 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.517 -0.788 17482 205 1 1 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.130 -0.082 17482 206 1 1 . 1 1 38 38 ASP H H 38 8.046 8.046 7.640 0.406 17482 207 1 1 . 1 1 39 39 LYS N N 39 118.627 118.627 121.188 -2.561 17482 208 1 1 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.295 -0.147 17482 209 1 1 . 1 1 39 39 LYS C C 39 178.588 178.588 178.979 -0.391 17482 210 1 1 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.463 -1.237 17482 211 1 1 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.684 -0.027 17482 212 1 1 . 1 1 39 39 LYS H H 39 7.757 7.757 7.395 0.362 17482 213 1 1 . 1 1 40 40 VAL N N 40 116.146 116.146 118.627 -2.481 17482 214 1 1 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.728 0.181 17482 215 1 1 . 1 1 40 40 VAL C C 40 176.683 176.683 176.659 0.024 17482 216 1 1 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.630 -1.222 17482 217 1 1 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.752 0.582 17482 218 1 1 . 1 1 40 40 VAL H H 40 7.792 7.792 8.204 -0.412 17482 219 1 1 . 1 1 41 41 ALA N N 41 122.561 122.561 120.690 1.871 17482 220 1 1 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.255 -0.132 17482 221 1 1 . 1 1 41 41 ALA C C 41 179.106 179.106 180.109 -1.003 17482 222 1 1 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.415 0.114 17482 223 1 1 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.893 -0.292 17482 224 1 1 . 1 1 41 41 ALA H H 41 8.094 8.094 7.441 0.653 17482 225 1 1 . 1 1 42 42 GLY N N 42 105.072 105.072 106.937 -1.865 17482 226 1 1 . 1 1 42 42 GLY C C 42 174.941 174.941 175.978 -1.037 17482 227 1 1 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.713 -0.686 17482 228 1 1 . 1 1 42 42 GLY H H 42 8.044 8.044 8.340 -0.296 17482 229 1 1 . 1 1 43 43 LYS N N 43 119.123 119.123 119.217 -0.094 17482 230 1 1 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.149 0.192 17482 231 1 1 . 1 1 43 43 LYS C C 43 176.631 176.631 177.274 -0.643 17482 232 1 1 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.462 0.335 17482 233 1 1 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.495 0.901 17482 234 1 1 . 1 1 43 43 LYS H H 43 7.834 7.834 8.000 -0.166 17482 235 1 1 . 1 1 44 44 VAL N N 44 116.413 116.413 120.544 -4.131 17482 236 1 1 . 1 1 44 44 VAL HA H 44 4.146 4.146 3.956 0.190 17482 237 1 1 . 1 1 44 44 VAL C C 44 175.018 175.018 175.243 -0.225 17482 238 1 1 . 1 1 44 44 VAL CA C 44 62.331 62.331 62.646 -0.315 17482 239 1 1 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.437 0.204 17482 240 1 1 . 1 1 44 44 VAL H H 44 7.650 7.650 7.317 0.333 17482 241 1 1 . 1 1 45 45 GLN N N 45 122.078 122.078 123.535 -1.457 17482 242 1 1 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.642 0.017 17482 243 1 1 . 1 1 45 45 GLN CA C 45 53.664 53.664 53.764 -0.100 17482 244 1 1 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.220 1.109 17482 245 1 1 . 1 1 45 45 GLN H H 45 8.154 8.154 8.406 -0.252 17482 246 1 1 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.480 -0.047 17482 247 1 1 . 1 1 46 46 PRO C C 46 177.329 177.329 177.167 0.162 17482 248 1 1 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.403 1.351 17482 249 1 1 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.537 -0.306 17482 250 1 1 . 1 1 47 47 GLU N N 47 119.456 119.456 117.429 2.027 17482 251 1 1 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.120 0.091 17482 252 1 1 . 1 1 47 47 GLU C C 47 176.484 176.484 176.041 0.443 17482 253 1 1 . 1 1 47 47 GLU CA C 47 57.468 57.468 57.881 -0.413 17482 254 1 1 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.772 0.557 17482 255 1 1 . 1 1 47 47 GLU H H 47 8.491 8.491 8.378 0.113 17482 256 1 1 . 1 1 48 48 ASP N N 48 119.108 119.108 117.852 1.256 17482 257 1 1 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.804 -0.219 17482 258 1 1 . 1 1 48 48 ASP C C 48 175.863 175.863 174.732 1.131 17482 259 1 1 . 1 1 48 48 ASP CA C 48 54.579 54.579 54.262 0.317 17482 260 1 1 . 1 1 48 48 ASP CB C 48 41.131 41.131 41.584 -0.453 17482 261 1 1 . 1 1 48 48 ASP H H 48 8.137 8.137 7.828 0.309 17482 262 1 1 . 1 1 49 49 ASN N N 49 117.714 117.714 120.684 -2.970 17482 263 1 1 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.785 -0.120 17482 264 1 1 . 1 1 49 49 ASN C C 49 174.975 174.975 173.341 1.634 17482 265 1 1 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.920 -0.192 17482 266 1 1 . 1 1 49 49 ASN CB C 49 39.131 39.131 39.797 -0.666 17482 267 1 1 . 1 1 49 49 ASN H H 49 8.173 8.173 8.541 -0.368 17482 268 1 1 . 1 1 50 50 LYS N N 50 120.215 120.215 119.716 0.499 17482 269 1 1 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.619 -0.311 17482 270 1 1 . 1 1 50 50 LYS C C 50 176.950 176.950 174.592 2.358 17482 271 1 1 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.703 0.125 17482 272 1 1 . 1 1 50 50 LYS CB C 50 33.031 33.031 34.160 -1.129 17482 273 1 1 . 1 1 50 50 LYS H H 50 8.098 8.098 8.568 -0.470 17482 274 1 1 . 1 1 51 51 GLY N N 51 109.286 109.286 111.691 -2.405 17482 275 1 1 . 1 1 51 51 GLY C C 51 175.251 175.251 173.710 1.541 17482 276 1 1 . 1 1 51 51 GLY CA C 51 45.913 45.913 44.768 1.145 17482 277 1 1 . 1 1 51 51 GLY H H 51 8.295 8.295 8.260 0.035 17482 278 1 1 . 1 1 52 52 VAL N N 52 119.528 119.528 122.221 -2.693 17482 279 1 1 . 1 1 52 52 VAL HA H 52 3.864 3.864 4.148 -0.284 17482 280 1 1 . 1 1 52 52 VAL C C 52 176.372 176.372 177.335 -0.963 17482 281 1 1 . 1 1 52 52 VAL CA C 52 64.346 64.346 62.965 1.381 17482 282 1 1 . 1 1 52 52 VAL CB C 52 32.230 32.230 32.170 0.060 17482 283 1 1 . 1 1 52 52 VAL H H 52 7.940 7.940 8.448 -0.508 17482 284 1 1 . 1 1 53 53 PHE N N 53 118.265 118.265 121.477 -3.212 17482 285 1 1 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.489 0.104 17482 286 1 1 . 1 1 53 53 PHE C C 53 176.441 176.441 177.833 -1.392 17482 287 1 1 . 1 1 53 53 PHE CA C 53 58.676 58.676 60.427 -1.751 17482 288 1 1 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.305 0.330 17482 289 1 1 . 1 1 53 53 PHE H H 53 8.046 8.046 8.367 -0.321 17482 290 1 1 . 1 1 54 54 GLN N N 54 119.441 119.441 117.433 2.008 17482 291 1 1 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.083 0.088 17482 292 1 1 . 1 1 54 54 GLN C C 54 177.166 177.166 178.280 -1.114 17482 293 1 1 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.349 -1.800 17482 294 1 1 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.165 1.335 17482 295 1 1 . 1 1 54 54 GLN H H 54 7.978 7.978 8.821 -0.843 17482 296 1 1 . 1 1 55 55 GLY N N 55 107.822 107.822 106.974 0.848 17482 297 1 1 . 1 1 55 55 GLY C C 55 175.294 175.294 175.814 -0.520 17482 298 1 1 . 1 1 55 55 GLY CA C 55 46.188 46.188 45.944 0.244 17482 299 1 1 . 1 1 55 55 GLY H H 55 8.120 8.120 7.452 0.668 17482 300 1 1 . 1 1 56 56 VAL N N 56 119.174 119.174 121.533 -2.359 17482 301 1 1 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.776 0.196 17482 302 1 1 . 1 1 56 56 VAL C C 56 176.527 176.527 177.343 -0.816 17482 303 1 1 . 1 1 56 56 VAL CA C 56 64.004 64.004 64.274 -0.270 17482 304 1 1 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.232 0.960 17482 305 1 1 . 1 1 56 56 VAL H H 56 7.774 7.774 7.320 0.454 17482 306 1 1 . 1 1 57 57 HIS N N 57 119.221 119.221 117.917 1.304 17482 307 1 1 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.593 -0.051 17482 308 1 1 . 1 1 57 57 HIS CA C 57 56.973 56.973 57.047 -0.074 17482 309 1 1 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.115 -0.507 17482 310 1 1 . 1 1 57 57 HIS H H 57 8.201 8.201 8.235 -0.034 17482 311 1 1 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.334 0.246 17482 312 1 1 . 1 1 58 58 ASP C C 58 177.097 177.097 178.381 -1.284 17482 313 1 1 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.172 -2.151 17482 314 1 1 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.100 1.136 17482 315 1 1 . 1 1 59 59 SER N N 59 116.347 116.347 115.604 0.743 17482 316 1 1 . 1 1 59 59 SER HA H 59 4.372 4.372 4.125 0.247 17482 317 1 1 . 1 1 59 59 SER C C 59 175.087 175.087 176.105 -1.018 17482 318 1 1 . 1 1 59 59 SER CA C 59 59.207 59.207 60.813 -1.606 17482 319 1 1 . 1 1 59 59 SER CB C 59 63.780 63.780 62.868 0.912 17482 320 1 1 . 1 1 59 59 SER H H 59 8.134 8.134 7.890 0.244 17482 321 1 1 . 1 1 60 60 ALA N N 60 125.097 125.097 123.813 1.284 17482 322 1 1 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.101 0.152 17482 323 1 1 . 1 1 60 60 ALA C C 60 178.192 178.192 178.035 0.157 17482 324 1 1 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.047 -0.486 17482 325 1 1 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.155 0.923 17482 326 1 1 . 1 1 60 60 ALA H H 60 8.203 8.203 7.874 0.329 17482 327 1 1 . 1 1 61 61 GLU N N 61 118.432 118.432 117.987 0.445 17482 328 1 1 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.023 0.177 17482 329 1 1 . 1 1 61 61 GLU C C 61 177.036 177.036 176.990 0.046 17482 330 1 1 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.749 -0.525 17482 331 1 1 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.731 0.497 17482 332 1 1 . 1 1 61 61 GLU H H 61 8.095 8.095 7.653 0.442 17482 333 1 1 . 1 1 62 62 LYS N N 62 120.770 120.770 119.582 1.188 17482 334 1 1 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.129 0.168 17482 335 1 1 . 1 1 62 62 LYS C C 62 177.450 177.450 175.908 1.542 17482 336 1 1 . 1 1 62 62 LYS CA C 62 56.826 56.826 57.410 -0.584 17482 337 1 1 . 1 1 62 62 LYS CB C 62 32.943 32.943 32.785 0.158 17482 338 1 1 . 1 1 62 62 LYS H H 62 7.969 7.969 7.465 0.504 17482 339 1 1 . 1 1 63 63 GLY N N 63 108.912 108.912 111.751 -2.839 17482 340 1 1 . 1 1 63 63 GLY C C 63 174.432 174.432 172.880 1.552 17482 341 1 1 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.616 1.135 17482 342 1 1 . 1 1 63 63 GLY H H 63 8.287 8.287 8.006 0.281 17482 343 1 1 . 1 1 64 64 LYS N N 64 120.529 120.529 123.617 -3.088 17482 344 1 1 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.461 -0.163 17482 345 1 1 . 1 1 64 64 LYS C C 64 176.622 176.622 176.006 0.616 17482 346 1 1 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.070 0.661 17482 347 1 1 . 1 1 64 64 LYS CB C 64 33.117 33.117 33.388 -0.271 17482 348 1 1 . 1 1 64 64 LYS H H 64 8.019 8.019 8.258 -0.239 17482 349 1 1 . 1 1 65 65 ASP N N 65 120.673 120.673 121.108 -0.435 17482 350 1 1 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.532 0.048 17482 351 1 1 . 1 1 65 65 ASP C C 65 176.226 176.226 175.100 1.126 17482 352 1 1 . 1 1 65 65 ASP CA C 65 54.783 54.783 54.228 0.555 17482 353 1 1 . 1 1 65 65 ASP CB C 65 41.172 41.172 40.510 0.662 17482 354 1 1 . 1 1 65 65 ASP H H 65 8.296 8.296 8.546 -0.250 17482 355 1 1 . 1 1 66 66 ASN N N 66 118.902 118.902 119.521 -0.619 17482 356 1 1 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.742 -0.052 17482 357 1 1 . 1 1 66 66 ASN C C 66 175.217 175.217 174.952 0.265 17482 358 1 1 . 1 1 66 66 ASN CA C 66 53.475 53.475 52.839 0.636 17482 359 1 1 . 1 1 66 66 ASN CB C 66 39.117 39.117 39.268 -0.151 17482 360 1 1 . 1 1 66 66 ASN H H 66 8.212 8.212 8.316 -0.104 17482 361 1 1 . 1 1 67 67 ALA N N 67 124.149 124.149 122.150 1.999 17482 362 1 1 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.856 -0.556 17482 363 1 1 . 1 1 67 67 ALA C C 67 177.890 177.890 176.637 1.253 17482 364 1 1 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.275 0.778 17482 365 1 1 . 1 1 67 67 ALA CB C 67 19.427 19.427 20.482 -1.055 17482 366 1 1 . 1 1 67 67 ALA H H 67 8.212 8.212 8.535 -0.323 17482 367 1 1 . 1 1 68 68 GLU N N 68 119.216 119.216 118.029 1.187 17482 368 1 1 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.414 -0.143 17482 369 1 1 . 1 1 68 68 GLU C C 68 177.243 177.243 175.818 1.425 17482 370 1 1 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.099 0.698 17482 371 1 1 . 1 1 68 68 GLU CB C 68 30.159 30.159 31.902 -1.743 17482 372 1 1 . 1 1 68 68 GLU H H 68 8.286 8.286 8.691 -0.405 17482 373 1 1 . 1 1 69 69 GLY N N 69 109.637 109.637 110.217 -0.580 17482 374 1 1 . 1 1 69 69 GLY C C 69 174.371 174.371 173.587 0.784 17482 375 1 1 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.390 0.244 17482 376 1 1 . 1 1 69 69 GLY H H 69 8.293 8.293 8.604 -0.311 17482 377 1 1 . 1 1 70 70 GLN N N 70 119.629 119.629 120.344 -0.715 17482 378 1 1 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.476 -0.083 17482 379 1 1 . 1 1 70 70 GLN C C 70 176.502 176.502 175.135 1.367 17482 380 1 1 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.975 0.071 17482 381 1 1 . 1 1 70 70 GLN CB C 70 29.627 29.627 30.971 -1.344 17482 382 1 1 . 1 1 70 70 GLN H H 70 8.201 8.201 7.866 0.335 17482 383 1 1 . 1 1 71 71 GLY N N 71 109.977 109.977 110.925 -0.948 17482 384 1 1 . 1 1 71 71 GLY C C 71 173.992 173.992 173.910 0.082 17482 385 1 1 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.657 0.977 17482 386 1 1 . 1 1 71 71 GLY H H 71 8.424 8.424 8.526 -0.102 17482 387 1 1 . 1 1 72 72 GLU N N 72 120.532 120.532 122.487 -1.955 17482 388 1 1 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.608 -0.197 17482 389 1 1 . 1 1 72 72 GLU C C 72 176.639 176.639 175.675 0.964 17482 390 1 1 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.232 0.386 17482 391 1 1 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.946 -0.215 17482 392 1 1 . 1 1 72 72 GLU H H 72 8.244 8.244 8.422 -0.178 17482 393 1 1 . 1 1 73 73 SER N N 73 117.827 117.827 114.499 3.328 17482 394 1 1 . 1 1 73 73 SER HA H 73 4.589 4.589 4.601 -0.012 17482 395 1 1 . 1 1 73 73 SER C C 73 175.475 175.475 174.359 1.116 17482 396 1 1 . 1 1 73 73 SER CA C 73 58.064 58.064 58.112 -0.048 17482 397 1 1 . 1 1 73 73 SER CB C 73 64.761 64.761 64.342 0.419 17482 398 1 1 . 1 1 73 73 SER H H 73 8.689 8.689 8.298 0.391 17482 399 1 1 . 1 1 74 74 LEU N N 74 124.414 124.414 126.053 -1.639 17482 400 1 1 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.064 0.137 17482 401 1 1 . 1 1 74 74 LEU C C 74 178.735 178.735 177.600 1.135 17482 402 1 1 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.015 0.880 17482 403 1 1 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.653 0.281 17482 404 1 1 . 1 1 74 74 LEU H H 74 8.514 8.514 8.526 -0.012 17482 405 1 1 . 1 1 75 75 ALA N N 75 120.291 120.291 119.942 0.349 17482 406 1 1 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.966 0.024 17482 407 1 1 . 1 1 75 75 ALA C C 75 179.046 179.046 180.037 -0.991 17482 408 1 1 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.973 0.294 17482 409 1 1 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.693 0.901 17482 410 1 1 . 1 1 75 75 ALA H H 75 8.160 8.160 8.277 -0.117 17482 411 1 1 . 1 1 76 76 ASP N N 76 117.288 117.288 116.812 0.476 17482 412 1 1 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.459 -0.053 17482 413 1 1 . 1 1 76 76 ASP C C 76 178.476 178.476 178.437 0.039 17482 414 1 1 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.944 0.188 17482 415 1 1 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.071 -0.419 17482 416 1 1 . 1 1 76 76 ASP H H 76 7.773 7.773 8.126 -0.353 17482 417 1 1 . 1 1 77 77 GLN N N 77 119.454 119.454 118.962 0.492 17482 418 1 1 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.124 0.038 17482 419 1 1 . 1 1 77 77 GLN C C 77 178.037 178.037 178.025 0.012 17482 420 1 1 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.272 0.109 17482 421 1 1 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.877 0.603 17482 422 1 1 . 1 1 77 77 GLN H H 77 7.994 7.994 7.749 0.245 17482 423 1 1 . 1 1 78 78 ALA N N 78 121.577 121.577 123.097 -1.520 17482 424 1 1 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.068 0.081 17482 425 1 1 . 1 1 78 78 ALA C C 78 178.977 178.977 179.438 -0.461 17482 426 1 1 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.197 -0.066 17482 427 1 1 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.194 0.461 17482 428 1 1 . 1 1 78 78 ALA H H 78 8.498 8.498 8.522 -0.024 17482 429 1 1 . 1 1 79 79 ARG N N 79 117.138 117.138 118.501 -1.363 17482 430 1 1 . 1 1 79 79 ARG HA H 79 4.012 4.012 3.998 0.014 17482 431 1 1 . 1 1 79 79 ARG C C 79 175.449 175.449 178.707 -3.258 17482 432 1 1 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.379 0.124 17482 433 1 1 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.796 0.350 17482 434 1 1 . 1 1 79 79 ARG H H 79 8.101 8.101 7.756 0.345 17482 435 1 1 . 1 1 80 80 ASP N N 80 120.784 120.784 119.515 1.269 17482 436 1 1 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.495 0.017 17482 437 1 1 . 1 1 80 80 ASP C C 80 178.882 178.882 178.425 0.457 17482 438 1 1 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.130 -0.254 17482 439 1 1 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.995 -0.667 17482 440 1 1 . 1 1 80 80 ASP H H 80 8.000 8.000 7.620 0.380 17482 441 1 1 . 1 1 81 81 TYR N N 81 120.298 120.298 121.606 -1.308 17482 442 1 1 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.246 0.185 17482 443 1 1 . 1 1 81 81 TYR C C 81 177.855 177.855 177.827 0.028 17482 444 1 1 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.339 0.495 17482 445 1 1 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.548 -0.070 17482 446 1 1 . 1 1 81 81 TYR H H 81 8.127 8.127 7.526 0.601 17482 447 1 1 . 1 1 82 82 MET N N 82 118.452 118.452 117.523 0.929 17482 448 1 1 . 1 1 82 82 MET HA H 82 4.239 4.239 3.874 0.365 17482 449 1 1 . 1 1 82 82 MET C C 82 178.175 178.175 178.788 -0.613 17482 450 1 1 . 1 1 82 82 MET CA C 82 58.757 58.757 58.349 0.408 17482 451 1 1 . 1 1 82 82 MET CB C 82 32.631 32.631 31.923 0.708 17482 452 1 1 . 1 1 82 82 MET H H 82 8.382 8.382 8.778 -0.396 17482 453 1 1 . 1 1 83 83 GLY N N 83 106.740 106.740 105.332 1.408 17482 454 1 1 . 1 1 83 83 GLY C C 83 176.717 176.717 175.218 1.499 17482 455 1 1 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.118 0.213 17482 456 1 1 . 1 1 83 83 GLY H H 83 8.308 8.308 7.958 0.350 17482 457 1 1 . 1 1 84 84 ALA N N 84 125.357 125.357 123.279 2.078 17482 458 1 1 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.233 0.054 17482 459 1 1 . 1 1 84 84 ALA C C 84 180.149 180.149 179.192 0.957 17482 460 1 1 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.410 0.238 17482 461 1 1 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.363 0.178 17482 462 1 1 . 1 1 84 84 ALA H H 84 7.905 7.905 7.586 0.319 17482 463 1 1 . 1 1 85 85 ALA N N 85 121.332 121.332 121.331 0.001 17482 464 1 1 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.957 0.068 17482 465 1 1 . 1 1 85 85 ALA C C 85 178.847 178.847 179.703 -0.856 17482 466 1 1 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.864 0.419 17482 467 1 1 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.143 0.344 17482 468 1 1 . 1 1 85 85 ALA H H 85 8.341 8.341 7.587 0.754 17482 469 1 1 . 1 1 86 86 LYS N N 86 116.980 116.980 119.362 -2.382 17482 470 1 1 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.898 -0.026 17482 471 1 1 . 1 1 86 86 LYS C C 86 178.485 178.485 178.690 -0.205 17482 472 1 1 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.845 0.348 17482 473 1 1 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.195 0.136 17482 474 1 1 . 1 1 86 86 LYS H H 86 8.360 8.360 7.686 0.674 17482 475 1 1 . 1 1 87 87 SER N N 87 113.632 113.632 114.538 -0.906 17482 476 1 1 . 1 1 87 87 SER HA H 87 4.299 4.299 4.074 0.225 17482 477 1 1 . 1 1 87 87 SER C C 87 176.467 176.467 176.589 -0.122 17482 478 1 1 . 1 1 87 87 SER CA C 87 61.614 61.614 61.480 0.134 17482 479 1 1 . 1 1 87 87 SER CB C 87 63.064 63.064 62.899 0.165 17482 480 1 1 . 1 1 87 87 SER H H 87 7.863 7.863 7.668 0.195 17482 481 1 1 . 1 1 88 88 LYS N N 88 120.925 120.925 120.856 0.069 17482 482 1 1 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.083 0.262 17482 483 1 1 . 1 1 88 88 LYS C C 88 178.502 178.502 178.906 -0.404 17482 484 1 1 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.524 -0.828 17482 485 1 1 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.147 -0.136 17482 486 1 1 . 1 1 88 88 LYS H H 88 7.843 7.843 7.806 0.037 17482 487 1 1 . 1 1 89 89 LEU N N 89 119.955 119.955 122.241 -2.286 17482 488 1 1 . 1 1 89 89 LEU HA H 89 4.105 4.105 4.031 0.074 17482 489 1 1 . 1 1 89 89 LEU C C 89 178.209 178.209 178.231 -0.022 17482 490 1 1 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.931 0.266 17482 491 1 1 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.293 0.338 17482 492 1 1 . 1 1 89 89 LEU H H 89 8.174 8.174 8.422 -0.248 17482 493 1 1 . 1 1 90 90 ASN N N 90 117.013 117.013 117.437 -0.424 17482 494 1 1 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.326 0.067 17482 495 1 1 . 1 1 90 90 ASN C C 90 174.164 174.164 177.861 -3.697 17482 496 1 1 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.962 0.204 17482 497 1 1 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.298 0.653 17482 498 1 1 . 1 1 90 90 ASN H H 90 8.223 8.223 8.654 -0.431 17482 499 1 1 . 1 1 91 91 ASP N N 91 119.959 119.959 119.516 0.443 17482 500 1 1 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.489 -0.032 17482 501 1 1 . 1 1 91 91 ASP C C 91 178.804 178.804 177.732 1.072 17482 502 1 1 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.674 -0.236 17482 503 1 1 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.839 -0.659 17482 504 1 1 . 1 1 91 91 ASP H H 91 8.043 8.043 7.739 0.304 17482 505 1 1 . 1 1 92 92 ALA N N 92 123.900 123.900 122.591 1.309 17482 506 1 1 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.209 -0.006 17482 507 1 1 . 1 1 92 92 ALA C C 92 178.951 178.951 179.572 -0.621 17482 508 1 1 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.931 0.606 17482 509 1 1 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.522 -0.018 17482 510 1 1 . 1 1 92 92 ALA H H 92 8.256 8.256 7.468 0.788 17482 511 1 1 . 1 1 93 93 VAL N N 93 118.228 118.228 119.710 -1.482 17482 512 1 1 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.511 0.083 17482 513 1 1 . 1 1 93 93 VAL C C 93 178.761 178.761 178.039 0.722 17482 514 1 1 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.643 -0.486 17482 515 1 1 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.162 0.633 17482 516 1 1 . 1 1 93 93 VAL H H 93 8.449 8.449 8.565 -0.116 17482 517 1 1 . 1 1 94 94 GLU N N 94 120.485 120.485 119.284 1.201 17482 518 1 1 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.948 0.097 17482 519 1 1 . 1 1 94 94 GLU C C 94 179.347 179.347 179.345 0.002 17482 520 1 1 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.011 -0.380 17482 521 1 1 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.594 -0.063 17482 522 1 1 . 1 1 94 94 GLU H H 94 8.175 8.175 7.853 0.322 17482 523 1 1 . 1 1 95 95 TYR N N 95 120.806 120.806 119.842 0.964 17482 524 1 1 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.292 -0.064 17482 525 1 1 . 1 1 95 95 TYR C C 95 178.407 178.407 177.690 0.717 17482 526 1 1 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.242 0.319 17482 527 1 1 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.619 0.012 17482 528 1 1 . 1 1 95 95 TYR H H 95 8.197 8.197 7.395 0.802 17482 529 1 1 . 1 1 96 96 VAL N N 96 118.584 118.584 119.507 -0.923 17482 530 1 1 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.660 -0.177 17482 531 1 1 . 1 1 96 96 VAL C C 96 177.752 177.752 178.227 -0.475 17482 532 1 1 . 1 1 96 96 VAL CA C 96 66.680 66.680 66.132 0.548 17482 533 1 1 . 1 1 96 96 VAL CB C 96 32.022 32.022 30.811 1.210 17482 534 1 1 . 1 1 96 96 VAL H H 96 8.525 8.525 8.554 -0.029 17482 535 1 1 . 1 1 97 97 SER N N 97 114.566 114.566 114.918 -0.352 17482 536 1 1 . 1 1 97 97 SER HA H 97 4.080 4.080 4.182 -0.102 17482 537 1 1 . 1 1 97 97 SER C C 97 176.803 176.803 177.087 -0.284 17482 538 1 1 . 1 1 97 97 SER CA C 97 61.800 61.800 62.562 -0.762 17482 539 1 1 . 1 1 97 97 SER CB C 97 63.258 63.258 62.871 0.387 17482 540 1 1 . 1 1 97 97 SER H H 97 8.642 8.642 8.908 -0.266 17482 541 1 1 . 1 1 98 98 GLY N N 98 107.586 107.586 107.304 0.282 17482 542 1 1 . 1 1 98 98 GLY C C 98 175.553 175.553 175.569 -0.016 17482 543 1 1 . 1 1 98 98 GLY CA C 98 46.556 46.556 46.197 0.359 17482 544 1 1 . 1 1 98 98 GLY H H 98 7.926 7.926 7.715 0.211 17482 545 1 1 . 1 1 99 99 ARG N N 99 119.948 119.948 121.804 -1.856 17482 546 1 1 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.324 -0.121 17482 547 1 1 . 1 1 99 99 ARG C C 99 177.830 177.830 178.963 -1.133 17482 548 1 1 . 1 1 99 99 ARG CA C 99 57.129 57.129 58.168 -1.039 17482 549 1 1 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.372 -0.160 17482 550 1 1 . 1 1 99 99 ARG H H 99 7.611 7.611 7.495 0.116 17482 551 1 1 . 1 1 100 100 VAL N N 100 116.709 116.709 116.880 -0.171 17482 552 1 1 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.837 0.103 17482 553 1 1 . 1 1 100 100 VAL C C 100 176.381 176.381 176.949 -0.568 17482 554 1 1 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.350 -1.419 17482 555 1 1 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.904 0.427 17482 556 1 1 . 1 1 100 100 VAL H H 100 7.906 7.906 8.326 -0.420 17482 557 1 1 . 1 1 101 101 HIS N N 101 117.584 117.584 117.822 -0.238 17482 558 1 1 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.600 0.175 17482 559 1 1 . 1 1 101 101 HIS C C 101 175.484 175.484 173.969 1.515 17482 560 1 1 . 1 1 101 101 HIS CA C 101 55.862 55.862 55.503 0.359 17482 561 1 1 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.640 -0.123 17482 562 1 1 . 1 1 101 101 HIS H H 101 8.061 8.061 7.453 0.608 17482 563 1 1 . 1 1 102 102 GLY N N 102 109.164 109.164 112.878 -3.714 17482 564 1 1 . 1 1 102 102 GLY C C 102 174.121 174.121 174.136 -0.015 17482 565 1 1 . 1 1 102 102 GLY CA C 102 45.719 45.719 46.097 -0.378 17482 566 1 1 . 1 1 102 102 GLY H H 102 7.990 7.990 7.925 0.065 17482 567 1 1 . 1 1 103 103 GLU N N 103 120.493 120.493 124.462 -3.969 17482 568 1 1 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.420 -0.105 17482 569 1 1 . 1 1 103 103 GLU C C 103 176.467 176.467 174.526 1.941 17482 570 1 1 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.365 1.085 17482 571 1 1 . 1 1 103 103 GLU CB C 103 30.731 30.731 29.019 1.712 17482 572 1 1 . 1 1 103 103 GLU H H 103 8.320 8.320 8.097 0.223 17482 573 1 1 . 1 1 104 104 GLU N N 104 122.018 122.018 117.839 4.179 17482 574 1 1 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.343 -0.080 17482 575 1 1 . 1 1 104 104 GLU C C 104 175.820 175.820 174.705 1.115 17482 576 1 1 . 1 1 104 104 GLU CA C 104 56.480 56.480 55.868 0.612 17482 577 1 1 . 1 1 104 104 GLU CB C 104 30.654 30.654 32.229 -1.575 17482 578 1 1 . 1 1 104 104 GLU H H 104 8.358 8.358 7.362 0.996 17482 579 1 1 . 1 1 105 105 ASP N N 105 122.625 122.625 122.244 0.381 17482 580 1 1 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.606 0.292 17482 581 1 1 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.778 -2.050 17482 582 1 1 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.182 0.432 17482 583 1 1 . 1 1 105 105 ASP H H 105 8.350 8.350 8.549 -0.199 17482 584 1 1 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.215 0.251 17482 585 1 1 . 1 1 106 106 PRO C C 106 177.605 177.605 176.098 1.507 17482 586 1 1 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.656 0.265 17482 587 1 1 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.185 0.111 17482 588 1 1 . 1 1 107 107 THR N N 107 111.954 111.954 114.775 -2.821 17482 589 1 1 . 1 1 107 107 THR HA H 107 4.281 4.281 4.036 0.245 17482 590 1 1 . 1 1 107 107 THR C C 107 174.889 174.889 173.774 1.115 17482 591 1 1 . 1 1 107 107 THR CA C 107 62.896 62.896 62.870 0.026 17482 592 1 1 . 1 1 107 107 THR CB C 107 69.593 69.593 67.549 2.044 17482 593 1 1 . 1 1 107 107 THR H H 107 8.355 8.355 8.114 0.241 17482 594 1 1 . 1 1 108 108 LYS N N 108 123.177 123.177 123.435 -0.258 17482 595 1 1 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.415 -0.060 17482 596 1 1 . 1 1 108 108 LYS C C 108 175.406 175.406 176.018 -0.612 17482 597 1 1 . 1 1 108 108 LYS CA C 108 56.252 56.252 56.233 0.019 17482 598 1 1 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.086 -0.122 17482 599 1 1 . 1 1 108 108 LYS H H 108 7.739 7.739 8.304 -0.565 17482 600 1 2 . 1 1 2 2 SER HA H 2 4.546 4.546 4.776 -0.230 17482 601 1 2 . 1 1 2 2 SER CA C 2 58.499 58.499 57.136 1.363 17482 602 1 2 . 1 1 2 2 SER CB C 2 64.011 64.011 66.002 -1.992 17482 603 1 2 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.735 -0.133 17482 604 1 2 . 1 1 3 3 ASP C C 3 176.010 176.010 174.264 1.746 17482 605 1 2 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.402 0.334 17482 606 1 2 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.418 -0.149 17482 607 1 2 . 1 1 4 4 ALA N N 4 123.253 123.253 126.809 -3.556 17482 608 1 2 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.685 -0.359 17482 609 1 2 . 1 1 4 4 ALA C C 4 178.097 178.097 176.502 1.595 17482 610 1 2 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.015 0.832 17482 611 1 2 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.452 -1.129 17482 612 1 2 . 1 1 4 4 ALA H H 4 8.095 8.095 8.303 -0.208 17482 613 1 2 . 1 1 5 5 GLY N N 5 107.651 107.651 106.206 1.445 17482 614 1 2 . 1 1 5 5 GLY C C 5 174.828 174.828 174.912 -0.084 17482 615 1 2 . 1 1 5 5 GLY CA C 5 45.448 45.448 45.734 -0.286 17482 616 1 2 . 1 1 5 5 GLY H H 5 8.167 8.167 8.781 -0.614 17482 617 1 2 . 1 1 6 6 ARG N N 6 120.230 120.230 118.086 2.144 17482 618 1 2 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.509 -0.160 17482 619 1 2 . 1 1 6 6 ARG C C 6 176.562 176.562 175.018 1.544 17482 620 1 2 . 1 1 6 6 ARG CA C 6 56.399 56.399 55.266 1.133 17482 621 1 2 . 1 1 6 6 ARG CB C 6 30.831 30.831 33.257 -2.425 17482 622 1 2 . 1 1 6 6 ARG H H 6 8.060 8.060 7.763 0.297 17482 623 1 2 . 1 1 7 7 LYS N N 7 121.076 121.076 117.740 3.336 17482 624 1 2 . 1 1 7 7 LYS HA H 7 4.257 4.257 3.969 0.288 17482 625 1 2 . 1 1 7 7 LYS C C 7 177.010 177.010 177.138 -0.128 17482 626 1 2 . 1 1 7 7 LYS CA C 7 56.920 56.920 57.286 -0.366 17482 627 1 2 . 1 1 7 7 LYS CB C 7 32.831 32.831 32.534 0.297 17482 628 1 2 . 1 1 7 7 LYS H H 7 8.181 8.181 8.745 -0.564 17482 629 1 2 . 1 1 8 8 GLY N N 8 108.196 108.196 107.245 0.951 17482 630 1 2 . 1 1 8 8 GLY C C 8 174.828 174.828 175.729 -0.901 17482 631 1 2 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.454 -0.625 17482 632 1 2 . 1 1 8 8 GLY H H 8 8.141 8.141 8.514 -0.373 17482 633 1 2 . 1 1 9 9 PHE N N 9 120.374 120.374 123.986 -3.612 17482 634 1 2 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.658 -0.266 17482 635 1 2 . 1 1 9 9 PHE C C 9 176.898 176.898 177.129 -0.231 17482 636 1 2 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.912 1.068 17482 637 1 2 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.610 -0.057 17482 638 1 2 . 1 1 9 9 PHE H H 9 8.072 8.072 8.240 -0.168 17482 639 1 2 . 1 1 10 10 GLY N N 10 107.944 107.944 108.398 -0.454 17482 640 1 2 . 1 1 10 10 GLY C C 10 175.441 175.441 175.507 -0.066 17482 641 1 2 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.691 -0.869 17482 642 1 2 . 1 1 10 10 GLY H H 10 8.431 8.431 7.721 0.710 17482 643 1 2 . 1 1 11 11 GLU N N 11 121.098 121.098 121.633 -0.535 17482 644 1 2 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.018 0.082 17482 645 1 2 . 1 1 11 11 GLU C C 11 175.234 175.234 179.287 -4.053 17482 646 1 2 . 1 1 11 11 GLU CA C 11 58.971 58.971 60.157 -1.186 17482 647 1 2 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.430 0.468 17482 648 1 2 . 1 1 11 11 GLU H H 11 8.003 8.003 8.703 -0.700 17482 649 1 2 . 1 1 12 12 LYS N N 12 119.103 119.103 118.427 0.676 17482 650 1 2 . 1 1 12 12 LYS HA H 12 4.144 4.144 3.873 0.271 17482 651 1 2 . 1 1 12 12 LYS C C 12 178.520 178.520 178.921 -0.401 17482 652 1 2 . 1 1 12 12 LYS CA C 12 58.337 58.337 59.341 -1.004 17482 653 1 2 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.028 0.366 17482 654 1 2 . 1 1 12 12 LYS H H 12 7.930 7.930 7.617 0.313 17482 655 1 2 . 1 1 13 13 ALA N N 13 121.534 121.534 122.660 -1.126 17482 656 1 2 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.964 0.047 17482 657 1 2 . 1 1 13 13 ALA C C 13 178.364 178.364 179.973 -1.609 17482 658 1 2 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.276 -0.548 17482 659 1 2 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.987 0.473 17482 660 1 2 . 1 1 13 13 ALA H H 13 8.216 8.216 8.454 -0.238 17482 661 1 2 . 1 1 14 14 SER N N 14 111.263 111.263 112.533 -1.270 17482 662 1 2 . 1 1 14 14 SER HA H 14 4.114 4.114 4.204 -0.090 17482 663 1 2 . 1 1 14 14 SER C C 14 176.148 176.148 176.979 -0.831 17482 664 1 2 . 1 1 14 14 SER CA C 14 61.159 61.159 61.525 -0.366 17482 665 1 2 . 1 1 14 14 SER CB C 14 63.250 63.250 62.765 0.485 17482 666 1 2 . 1 1 14 14 SER H H 14 8.000 8.000 8.154 -0.154 17482 667 1 2 . 1 1 15 15 GLU N N 15 119.902 119.902 120.475 -0.573 17482 668 1 2 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.092 0.074 17482 669 1 2 . 1 1 15 15 GLU C C 15 177.493 177.493 177.706 -0.213 17482 670 1 2 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.808 -0.795 17482 671 1 2 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.697 0.244 17482 672 1 2 . 1 1 15 15 GLU H H 15 7.724 7.724 7.397 0.327 17482 673 1 2 . 1 1 16 16 ALA N N 16 120.687 120.687 121.741 -1.054 17482 674 1 2 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.052 0.209 17482 675 1 2 . 1 1 16 16 ALA C C 16 177.933 177.933 179.881 -1.948 17482 676 1 2 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.942 -1.167 17482 677 1 2 . 1 1 16 16 ALA CB C 16 19.544 19.544 18.993 0.551 17482 678 1 2 . 1 1 16 16 ALA H H 16 7.726 7.726 7.981 -0.255 17482 679 1 2 . 1 1 17 17 LEU N N 17 116.559 116.559 115.860 0.699 17482 680 1 2 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.108 0.251 17482 681 1 2 . 1 1 17 17 LEU C C 17 176.277 176.277 177.679 -1.402 17482 682 1 2 . 1 1 17 17 LEU CA C 17 54.934 54.934 57.089 -2.155 17482 683 1 2 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.602 0.962 17482 684 1 2 . 1 1 17 17 LEU H H 17 7.634 7.634 7.571 0.063 17482 685 1 2 . 1 1 18 18 LYS N N 18 120.269 120.269 119.499 0.770 17482 686 1 2 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.463 0.104 17482 687 1 2 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.014 -0.525 17482 688 1 2 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.331 0.189 17482 689 1 2 . 1 1 18 18 LYS H H 18 7.761 7.761 7.497 0.264 17482 690 1 2 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.365 0.078 17482 691 1 2 . 1 1 19 19 PRO C C 19 176.984 176.984 176.021 0.963 17482 692 1 2 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.533 1.300 17482 693 1 2 . 1 1 19 19 PRO CB C 19 32.247 32.247 31.993 0.254 17482 694 1 2 . 1 1 20 20 ASP N N 20 119.103 119.103 115.714 3.389 17482 695 1 2 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.525 0.077 17482 696 1 2 . 1 1 20 20 ASP C C 20 176.639 176.639 175.430 1.209 17482 697 1 2 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.633 -0.136 17482 698 1 2 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.151 0.080 17482 699 1 2 . 1 1 20 20 ASP H H 20 8.383 8.383 8.228 0.155 17482 700 1 2 . 1 1 21 21 SER N N 21 115.970 115.970 113.776 2.194 17482 701 1 2 . 1 1 21 21 SER HA H 21 4.376 4.376 4.602 -0.226 17482 702 1 2 . 1 1 21 21 SER C C 21 174.889 174.889 173.414 1.475 17482 703 1 2 . 1 1 21 21 SER CA C 21 59.093 59.093 58.669 0.424 17482 704 1 2 . 1 1 21 21 SER CB C 21 63.860 63.860 65.516 -1.656 17482 705 1 2 . 1 1 21 21 SER H H 21 8.054 8.054 8.679 -0.625 17482 706 1 2 . 1 1 22 22 GLN N N 22 120.766 120.766 118.279 2.487 17482 707 1 2 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.443 -0.165 17482 708 1 2 . 1 1 22 22 GLN C C 22 175.984 175.984 173.922 2.062 17482 709 1 2 . 1 1 22 22 GLN CA C 22 56.739 56.739 55.868 0.871 17482 710 1 2 . 1 1 22 22 GLN CB C 22 29.191 29.191 32.371 -3.180 17482 711 1 2 . 1 1 22 22 GLN H H 22 8.452 8.452 8.633 -0.181 17482 712 1 2 . 1 1 23 23 LYS N N 23 120.410 120.410 120.488 -0.078 17482 713 1 2 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.394 -0.057 17482 714 1 2 . 1 1 23 23 LYS C C 23 176.191 176.191 175.374 0.817 17482 715 1 2 . 1 1 23 23 LYS CA C 23 56.208 56.208 56.727 -0.519 17482 716 1 2 . 1 1 23 23 LYS CB C 23 33.736 33.736 31.576 2.160 17482 717 1 2 . 1 1 23 23 LYS H H 23 7.935 7.935 8.389 -0.454 17482 718 1 2 . 1 1 24 24 SER N N 24 117.302 117.302 115.926 1.376 17482 719 1 2 . 1 1 24 24 SER HA H 24 4.492 4.492 4.671 -0.179 17482 720 1 2 . 1 1 24 24 SER C C 24 175.717 175.717 174.447 1.270 17482 721 1 2 . 1 1 24 24 SER CA C 24 58.145 58.145 57.206 0.939 17482 722 1 2 . 1 1 24 24 SER CB C 24 63.815 63.815 64.101 -0.286 17482 723 1 2 . 1 1 24 24 SER H H 24 8.365 8.365 8.042 0.323 17482 724 1 2 . 1 1 25 25 TYR N N 25 121.904 121.904 123.088 -1.184 17482 725 1 2 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.159 0.223 17482 726 1 2 . 1 1 25 25 TYR C C 25 177.752 177.752 177.767 -0.015 17482 727 1 2 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.233 -0.288 17482 728 1 2 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.142 0.679 17482 729 1 2 . 1 1 25 25 TYR H H 25 8.205 8.205 8.947 -0.742 17482 730 1 2 . 1 1 26 26 ALA N N 26 121.123 121.123 120.556 0.567 17482 731 1 2 . 1 1 26 26 ALA HA H 26 4.057 4.057 4.388 -0.331 17482 732 1 2 . 1 1 26 26 ALA C C 26 179.037 179.037 180.251 -1.214 17482 733 1 2 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.054 0.483 17482 734 1 2 . 1 1 26 26 ALA CB C 26 18.474 18.474 17.961 0.513 17482 735 1 2 . 1 1 26 26 ALA H H 26 8.233 8.233 8.407 -0.174 17482 736 1 2 . 1 1 27 27 GLU N N 27 117.313 117.313 117.951 -0.638 17482 737 1 2 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.091 -0.074 17482 738 1 2 . 1 1 27 27 GLU C C 27 179.166 179.166 179.261 -0.095 17482 739 1 2 . 1 1 27 27 GLU CA C 27 59.478 59.478 58.772 0.706 17482 740 1 2 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.310 0.556 17482 741 1 2 . 1 1 27 27 GLU H H 27 7.922 7.922 7.922 -0.000 17482 742 1 2 . 1 1 28 28 GLN N N 28 118.602 118.602 119.807 -1.205 17482 743 1 2 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.895 0.293 17482 744 1 2 . 1 1 28 28 GLN C C 28 179.132 179.132 178.760 0.372 17482 745 1 2 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.890 -0.045 17482 746 1 2 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.451 0.931 17482 747 1 2 . 1 1 28 28 GLN H H 28 8.179 8.179 7.896 0.283 17482 748 1 2 . 1 1 29 29 GLY N N 29 107.984 107.984 106.916 1.068 17482 749 1 2 . 1 1 29 29 GLY C C 29 174.518 174.518 175.630 -1.112 17482 750 1 2 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.641 0.945 17482 751 1 2 . 1 1 29 29 GLY H H 29 8.804 8.804 8.468 0.336 17482 752 1 2 . 1 1 30 30 LYS N N 30 121.339 121.339 121.951 -0.612 17482 753 1 2 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.831 0.130 17482 754 1 2 . 1 1 30 30 LYS C C 30 178.925 178.925 178.871 0.054 17482 755 1 2 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.010 0.390 17482 756 1 2 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.243 0.184 17482 757 1 2 . 1 1 30 30 LYS H H 30 8.406 8.406 7.429 0.977 17482 758 1 2 . 1 1 31 31 GLU N N 31 119.880 119.880 119.593 0.287 17482 759 1 2 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.038 0.002 17482 760 1 2 . 1 1 31 31 GLU C C 31 177.761 177.761 178.897 -1.136 17482 761 1 2 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.083 0.448 17482 762 1 2 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.701 -0.170 17482 763 1 2 . 1 1 31 31 GLU H H 31 8.090 8.090 8.113 -0.023 17482 764 1 2 . 1 1 32 32 TYR N N 32 119.786 119.786 120.377 -0.591 17482 765 1 2 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.102 0.169 17482 766 1 2 . 1 1 32 32 TYR C C 32 178.054 178.054 177.761 0.293 17482 767 1 2 . 1 1 32 32 TYR CA C 32 61.720 61.720 62.033 -0.313 17482 768 1 2 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.319 0.612 17482 769 1 2 . 1 1 32 32 TYR H H 32 8.052 8.052 7.680 0.372 17482 770 1 2 . 1 1 33 33 ILE N N 33 116.856 116.856 117.895 -1.039 17482 771 1 2 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.632 0.160 17482 772 1 2 . 1 1 33 33 ILE C C 33 177.519 177.519 177.803 -0.284 17482 773 1 2 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.337 -1.318 17482 774 1 2 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.788 0.323 17482 775 1 2 . 1 1 33 33 ILE H H 33 8.249 8.249 7.760 0.489 17482 776 1 2 . 1 1 34 34 THR N N 34 114.203 114.203 114.256 -0.053 17482 777 1 2 . 1 1 34 34 THR HA H 34 3.934 3.934 3.814 0.120 17482 778 1 2 . 1 1 34 34 THR C C 34 176.579 176.579 176.408 0.171 17482 779 1 2 . 1 1 34 34 THR CA C 34 66.459 66.459 66.643 -0.184 17482 780 1 2 . 1 1 34 34 THR CB C 34 68.845 68.845 68.372 0.473 17482 781 1 2 . 1 1 34 34 THR H H 34 8.254 8.254 7.898 0.356 17482 782 1 2 . 1 1 35 35 ASP N N 35 121.116 121.116 121.351 -0.235 17482 783 1 2 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.580 -0.084 17482 784 1 2 . 1 1 35 35 ASP C C 35 177.933 177.933 178.634 -0.701 17482 785 1 2 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.741 -0.679 17482 786 1 2 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.803 1.025 17482 787 1 2 . 1 1 35 35 ASP H H 35 7.880 7.880 8.321 -0.441 17482 788 1 2 . 1 1 36 36 LYS N N 36 116.457 116.457 119.135 -2.678 17482 789 1 2 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.012 0.145 17482 790 1 2 . 1 1 36 36 LYS C C 36 177.968 177.968 178.610 -0.642 17482 791 1 2 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.893 -2.022 17482 792 1 2 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.327 -0.414 17482 793 1 2 . 1 1 36 36 LYS H H 36 7.677 7.677 7.661 0.016 17482 794 1 2 . 1 1 37 37 ALA N N 37 121.588 121.588 121.739 -0.151 17482 795 1 2 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.142 -0.137 17482 796 1 2 . 1 1 37 37 ALA C C 37 178.795 178.795 180.086 -1.291 17482 797 1 2 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.859 0.472 17482 798 1 2 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.248 0.226 17482 799 1 2 . 1 1 37 37 ALA H H 37 8.296 8.296 8.308 -0.012 17482 800 1 2 . 1 1 38 38 ASP N N 38 116.490 116.490 118.809 -2.319 17482 801 1 2 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.531 -0.122 17482 802 1 2 . 1 1 38 38 ASP C C 38 178.347 178.347 178.494 -0.147 17482 803 1 2 . 1 1 38 38 ASP CA C 38 56.729 56.729 56.949 -0.220 17482 804 1 2 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.056 -0.008 17482 805 1 2 . 1 1 38 38 ASP H H 38 8.046 8.046 8.081 -0.035 17482 806 1 2 . 1 1 39 39 LYS N N 39 118.627 118.627 121.007 -2.380 17482 807 1 2 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.051 0.097 17482 808 1 2 . 1 1 39 39 LYS C C 39 178.588 178.588 178.889 -0.301 17482 809 1 2 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.535 -1.309 17482 810 1 2 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.598 0.059 17482 811 1 2 . 1 1 39 39 LYS H H 39 7.757 7.757 7.771 -0.014 17482 812 1 2 . 1 1 40 40 VAL N N 40 116.146 116.146 119.170 -3.024 17482 813 1 2 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.779 0.130 17482 814 1 2 . 1 1 40 40 VAL C C 40 176.683 176.683 177.444 -0.761 17482 815 1 2 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.116 -0.708 17482 816 1 2 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.283 1.051 17482 817 1 2 . 1 1 40 40 VAL H H 40 7.792 7.792 8.057 -0.265 17482 818 1 2 . 1 1 41 41 ALA N N 41 122.561 122.561 121.036 1.525 17482 819 1 2 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.255 -0.132 17482 820 1 2 . 1 1 41 41 ALA C C 41 179.106 179.106 179.905 -0.799 17482 821 1 2 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.618 -0.090 17482 822 1 2 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.507 0.094 17482 823 1 2 . 1 1 41 41 ALA H H 41 8.094 8.094 7.486 0.608 17482 824 1 2 . 1 1 42 42 GLY N N 42 105.072 105.072 106.845 -1.773 17482 825 1 2 . 1 1 42 42 GLY C C 42 174.941 174.941 176.009 -1.068 17482 826 1 2 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.209 -0.182 17482 827 1 2 . 1 1 42 42 GLY H H 42 8.044 8.044 8.126 -0.082 17482 828 1 2 . 1 1 43 43 LYS N N 43 119.123 119.123 119.186 -0.063 17482 829 1 2 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.224 0.117 17482 830 1 2 . 1 1 43 43 LYS C C 43 176.631 176.631 176.627 0.004 17482 831 1 2 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.751 0.046 17482 832 1 2 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.741 0.655 17482 833 1 2 . 1 1 43 43 LYS H H 43 7.834 7.834 8.091 -0.257 17482 834 1 2 . 1 1 44 44 VAL N N 44 116.413 116.413 120.106 -3.693 17482 835 1 2 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.168 -0.022 17482 836 1 2 . 1 1 44 44 VAL C C 44 175.018 175.018 174.228 0.790 17482 837 1 2 . 1 1 44 44 VAL CA C 44 62.331 62.331 60.233 2.099 17482 838 1 2 . 1 1 44 44 VAL CB C 44 32.641 32.641 33.167 -0.526 17482 839 1 2 . 1 1 44 44 VAL H H 44 7.650 7.650 7.114 0.536 17482 840 1 2 . 1 1 45 45 GLN N N 45 122.078 122.078 127.534 -5.456 17482 841 1 2 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.706 -0.047 17482 842 1 2 . 1 1 45 45 GLN CA C 45 53.664 53.664 52.938 0.726 17482 843 1 2 . 1 1 45 45 GLN CB C 45 29.329 29.329 27.514 1.815 17482 844 1 2 . 1 1 45 45 GLN H H 45 8.154 8.154 8.352 -0.198 17482 845 1 2 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.388 0.045 17482 846 1 2 . 1 1 46 46 PRO C C 46 177.329 177.329 177.239 0.090 17482 847 1 2 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.257 1.497 17482 848 1 2 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.416 -0.185 17482 849 1 2 . 1 1 47 47 GLU N N 47 119.456 119.456 118.441 1.015 17482 850 1 2 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.080 0.131 17482 851 1 2 . 1 1 47 47 GLU C C 47 176.484 176.484 175.847 0.637 17482 852 1 2 . 1 1 47 47 GLU CA C 47 57.468 57.468 58.033 -0.565 17482 853 1 2 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.887 0.443 17482 854 1 2 . 1 1 47 47 GLU H H 47 8.491 8.491 8.412 0.079 17482 855 1 2 . 1 1 48 48 ASP N N 48 119.108 119.108 117.807 1.301 17482 856 1 2 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.683 -0.098 17482 857 1 2 . 1 1 48 48 ASP C C 48 175.863 175.863 174.697 1.166 17482 858 1 2 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.949 0.630 17482 859 1 2 . 1 1 48 48 ASP CB C 48 41.131 41.131 42.020 -0.889 17482 860 1 2 . 1 1 48 48 ASP H H 48 8.137 8.137 8.033 0.104 17482 861 1 2 . 1 1 49 49 ASN N N 49 117.714 117.714 120.278 -2.564 17482 862 1 2 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.952 -0.287 17482 863 1 2 . 1 1 49 49 ASN C C 49 174.975 174.975 173.996 0.979 17482 864 1 2 . 1 1 49 49 ASN CA C 49 53.728 53.728 51.783 1.945 17482 865 1 2 . 1 1 49 49 ASN CB C 49 39.131 39.131 40.589 -1.458 17482 866 1 2 . 1 1 49 49 ASN H H 49 8.173 8.173 8.447 -0.274 17482 867 1 2 . 1 1 50 50 LYS N N 50 120.215 120.215 119.929 0.286 17482 868 1 2 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.482 -0.174 17482 869 1 2 . 1 1 50 50 LYS C C 50 176.950 176.950 175.895 1.055 17482 870 1 2 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.729 0.099 17482 871 1 2 . 1 1 50 50 LYS CB C 50 33.031 33.031 34.266 -1.235 17482 872 1 2 . 1 1 50 50 LYS H H 50 8.098 8.098 8.425 -0.327 17482 873 1 2 . 1 1 51 51 GLY N N 51 109.286 109.286 112.719 -3.433 17482 874 1 2 . 1 1 51 51 GLY C C 51 175.251 175.251 174.393 0.858 17482 875 1 2 . 1 1 51 51 GLY CA C 51 45.913 45.913 44.819 1.094 17482 876 1 2 . 1 1 51 51 GLY H H 51 8.295 8.295 8.476 -0.181 17482 877 1 2 . 1 1 52 52 VAL N N 52 119.528 119.528 121.683 -2.155 17482 878 1 2 . 1 1 52 52 VAL HA H 52 3.864 3.864 4.089 -0.225 17482 879 1 2 . 1 1 52 52 VAL C C 52 176.372 176.372 176.241 0.131 17482 880 1 2 . 1 1 52 52 VAL CA C 52 64.346 64.346 63.486 0.860 17482 881 1 2 . 1 1 52 52 VAL CB C 52 32.230 32.230 32.015 0.215 17482 882 1 2 . 1 1 52 52 VAL H H 52 7.940 7.940 8.271 -0.331 17482 883 1 2 . 1 1 53 53 PHE N N 53 118.265 118.265 120.551 -2.286 17482 884 1 2 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.831 -0.238 17482 885 1 2 . 1 1 53 53 PHE C C 53 176.441 176.441 177.084 -0.643 17482 886 1 2 . 1 1 53 53 PHE CA C 53 58.676 58.676 59.200 -0.524 17482 887 1 2 . 1 1 53 53 PHE CB C 53 38.635 38.635 39.319 -0.684 17482 888 1 2 . 1 1 53 53 PHE H H 53 8.046 8.046 7.902 0.144 17482 889 1 2 . 1 1 54 54 GLN N N 54 119.441 119.441 118.837 0.604 17482 890 1 2 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.074 0.097 17482 891 1 2 . 1 1 54 54 GLN C C 54 177.166 177.166 177.795 -0.629 17482 892 1 2 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.281 -1.732 17482 893 1 2 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.331 1.169 17482 894 1 2 . 1 1 54 54 GLN H H 54 7.978 7.978 8.622 -0.644 17482 895 1 2 . 1 1 55 55 GLY N N 55 107.822 107.822 104.475 3.347 17482 896 1 2 . 1 1 55 55 GLY C C 55 175.294 175.294 175.169 0.125 17482 897 1 2 . 1 1 55 55 GLY CA C 55 46.188 46.188 45.371 0.817 17482 898 1 2 . 1 1 55 55 GLY H H 55 8.120 8.120 8.325 -0.205 17482 899 1 2 . 1 1 56 56 VAL N N 56 119.174 119.174 121.784 -2.610 17482 900 1 2 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.725 0.247 17482 901 1 2 . 1 1 56 56 VAL C C 56 176.527 176.527 177.761 -1.234 17482 902 1 2 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.662 -1.658 17482 903 1 2 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.075 1.117 17482 904 1 2 . 1 1 56 56 VAL H H 56 7.774 7.774 7.136 0.638 17482 905 1 2 . 1 1 57 57 HIS N N 57 119.221 119.221 119.312 -0.091 17482 906 1 2 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.240 0.302 17482 907 1 2 . 1 1 57 57 HIS CA C 57 56.973 56.973 59.705 -2.732 17482 908 1 2 . 1 1 57 57 HIS CB C 57 29.608 29.608 29.884 -0.276 17482 909 1 2 . 1 1 57 57 HIS H H 57 8.201 8.201 7.978 0.223 17482 910 1 2 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.363 0.217 17482 911 1 2 . 1 1 58 58 ASP C C 58 177.097 177.097 177.659 -0.562 17482 912 1 2 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.412 -2.391 17482 913 1 2 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.163 1.073 17482 914 1 2 . 1 1 59 59 SER N N 59 116.347 116.347 114.990 1.357 17482 915 1 2 . 1 1 59 59 SER HA H 59 4.372 4.372 4.156 0.216 17482 916 1 2 . 1 1 59 59 SER C C 59 175.087 175.087 175.966 -0.879 17482 917 1 2 . 1 1 59 59 SER CA C 59 59.207 59.207 60.325 -1.118 17482 918 1 2 . 1 1 59 59 SER CB C 59 63.780 63.780 62.950 0.830 17482 919 1 2 . 1 1 59 59 SER H H 59 8.134 8.134 7.546 0.588 17482 920 1 2 . 1 1 60 60 ALA N N 60 125.097 125.097 122.690 2.407 17482 921 1 2 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.057 0.196 17482 922 1 2 . 1 1 60 60 ALA C C 60 178.192 178.192 178.629 -0.437 17482 923 1 2 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.138 -0.577 17482 924 1 2 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.610 0.468 17482 925 1 2 . 1 1 60 60 ALA H H 60 8.203 8.203 7.523 0.680 17482 926 1 2 . 1 1 61 61 GLU N N 61 118.432 118.432 117.906 0.526 17482 927 1 2 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.267 -0.067 17482 928 1 2 . 1 1 61 61 GLU C C 61 177.036 177.036 177.238 -0.202 17482 929 1 2 . 1 1 61 61 GLU CA C 61 57.224 57.224 56.968 0.256 17482 930 1 2 . 1 1 61 61 GLU CB C 61 30.228 30.228 30.209 0.019 17482 931 1 2 . 1 1 61 61 GLU H H 61 8.095 8.095 7.513 0.582 17482 932 1 2 . 1 1 62 62 LYS N N 62 120.770 120.770 120.292 0.478 17482 933 1 2 . 1 1 62 62 LYS HA H 62 4.297 4.297 3.890 0.407 17482 934 1 2 . 1 1 62 62 LYS C C 62 177.450 177.450 176.307 1.143 17482 935 1 2 . 1 1 62 62 LYS CA C 62 56.826 56.826 57.341 -0.515 17482 936 1 2 . 1 1 62 62 LYS CB C 62 32.943 32.943 32.718 0.225 17482 937 1 2 . 1 1 62 62 LYS H H 62 7.969 7.969 7.641 0.328 17482 938 1 2 . 1 1 63 63 GLY N N 63 108.912 108.912 110.809 -1.897 17482 939 1 2 . 1 1 63 63 GLY C C 63 174.432 174.432 173.007 1.425 17482 940 1 2 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.538 1.213 17482 941 1 2 . 1 1 63 63 GLY H H 63 8.287 8.287 8.114 0.173 17482 942 1 2 . 1 1 64 64 LYS N N 64 120.529 120.529 122.725 -2.196 17482 943 1 2 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.654 -0.356 17482 944 1 2 . 1 1 64 64 LYS C C 64 176.622 176.622 174.875 1.747 17482 945 1 2 . 1 1 64 64 LYS CA C 64 56.731 56.731 55.906 0.825 17482 946 1 2 . 1 1 64 64 LYS CB C 64 33.117 33.117 34.963 -1.846 17482 947 1 2 . 1 1 64 64 LYS H H 64 8.019 8.019 8.120 -0.101 17482 948 1 2 . 1 1 65 65 ASP N N 65 120.673 120.673 119.290 1.383 17482 949 1 2 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.890 -0.310 17482 950 1 2 . 1 1 65 65 ASP C C 65 176.226 176.226 175.200 1.026 17482 951 1 2 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.489 1.294 17482 952 1 2 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.346 -1.174 17482 953 1 2 . 1 1 65 65 ASP H H 65 8.296 8.296 8.500 -0.204 17482 954 1 2 . 1 1 66 66 ASN N N 66 118.902 118.902 116.801 2.101 17482 955 1 2 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.949 -0.259 17482 956 1 2 . 1 1 66 66 ASN C C 66 175.217 175.217 174.277 0.940 17482 957 1 2 . 1 1 66 66 ASN CA C 66 53.475 53.475 51.979 1.496 17482 958 1 2 . 1 1 66 66 ASN CB C 66 39.117 39.117 40.306 -1.188 17482 959 1 2 . 1 1 66 66 ASN H H 66 8.212 8.212 8.457 -0.245 17482 960 1 2 . 1 1 67 67 ALA N N 67 124.149 124.149 121.120 3.029 17482 961 1 2 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.527 -0.227 17482 962 1 2 . 1 1 67 67 ALA C C 67 177.890 177.890 175.636 2.254 17482 963 1 2 . 1 1 67 67 ALA CA C 67 53.053 53.053 51.284 1.769 17482 964 1 2 . 1 1 67 67 ALA CB C 67 19.427 19.427 20.791 -1.363 17482 965 1 2 . 1 1 67 67 ALA H H 67 8.212 8.212 8.054 0.158 17482 966 1 2 . 1 1 68 68 GLU N N 68 119.216 119.216 119.115 0.101 17482 967 1 2 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.360 -0.089 17482 968 1 2 . 1 1 68 68 GLU C C 68 177.243 177.243 175.921 1.322 17482 969 1 2 . 1 1 68 68 GLU CA C 68 56.797 56.797 55.705 1.093 17482 970 1 2 . 1 1 68 68 GLU CB C 68 30.159 30.159 31.207 -1.048 17482 971 1 2 . 1 1 68 68 GLU H H 68 8.286 8.286 8.409 -0.123 17482 972 1 2 . 1 1 69 69 GLY N N 69 109.637 109.637 108.243 1.394 17482 973 1 2 . 1 1 69 69 GLY C C 69 174.371 174.371 173.498 0.873 17482 974 1 2 . 1 1 69 69 GLY CA C 69 45.634 45.634 44.460 1.174 17482 975 1 2 . 1 1 69 69 GLY H H 69 8.293 8.293 7.988 0.305 17482 976 1 2 . 1 1 70 70 GLN N N 70 119.629 119.629 117.468 2.161 17482 977 1 2 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.728 -0.335 17482 978 1 2 . 1 1 70 70 GLN C C 70 176.502 176.502 175.964 0.538 17482 979 1 2 . 1 1 70 70 GLN CA C 70 56.046 56.046 54.233 1.812 17482 980 1 2 . 1 1 70 70 GLN CB C 70 29.627 29.627 31.245 -1.618 17482 981 1 2 . 1 1 70 70 GLN H H 70 8.201 8.201 8.579 -0.378 17482 982 1 2 . 1 1 71 71 GLY N N 71 109.977 109.977 107.880 2.097 17482 983 1 2 . 1 1 71 71 GLY C C 71 173.992 173.992 173.994 -0.002 17482 984 1 2 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.171 1.463 17482 985 1 2 . 1 1 71 71 GLY H H 71 8.424 8.424 8.313 0.111 17482 986 1 2 . 1 1 72 72 GLU N N 72 120.532 120.532 119.014 1.518 17482 987 1 2 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.522 -0.111 17482 988 1 2 . 1 1 72 72 GLU C C 72 176.639 176.639 175.796 0.843 17482 989 1 2 . 1 1 72 72 GLU CA C 72 56.618 56.618 55.417 1.201 17482 990 1 2 . 1 1 72 72 GLU CB C 72 30.731 30.731 32.357 -1.626 17482 991 1 2 . 1 1 72 72 GLU H H 72 8.244 8.244 8.266 -0.022 17482 992 1 2 . 1 1 73 73 SER N N 73 117.827 117.827 119.727 -1.900 17482 993 1 2 . 1 1 73 73 SER HA H 73 4.589 4.589 4.725 -0.136 17482 994 1 2 . 1 1 73 73 SER C C 73 175.475 175.475 175.366 0.109 17482 995 1 2 . 1 1 73 73 SER CA C 73 58.064 58.064 57.532 0.532 17482 996 1 2 . 1 1 73 73 SER CB C 73 64.761 64.761 63.270 1.491 17482 997 1 2 . 1 1 73 73 SER H H 73 8.689 8.689 8.736 -0.047 17482 998 1 2 . 1 1 74 74 LEU N N 74 124.414 124.414 128.803 -4.389 17482 999 1 2 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.072 0.129 17482 1000 1 2 . 1 1 74 74 LEU C C 74 178.735 178.735 177.778 0.957 17482 1001 1 2 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.477 0.418 17482 1002 1 2 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.934 0.000 17482 1003 1 2 . 1 1 74 74 LEU H H 74 8.514 8.514 8.812 -0.298 17482 1004 1 2 . 1 1 75 75 ALA N N 75 120.291 120.291 119.777 0.514 17482 1005 1 2 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.975 0.015 17482 1006 1 2 . 1 1 75 75 ALA C C 75 179.046 179.046 180.107 -1.061 17482 1007 1 2 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.998 0.269 17482 1008 1 2 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.672 0.922 17482 1009 1 2 . 1 1 75 75 ALA H H 75 8.160 8.160 8.286 -0.126 17482 1010 1 2 . 1 1 76 76 ASP N N 76 117.288 117.288 117.535 -0.247 17482 1011 1 2 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.514 -0.108 17482 1012 1 2 . 1 1 76 76 ASP C C 76 178.476 178.476 178.722 -0.246 17482 1013 1 2 . 1 1 76 76 ASP CA C 76 57.133 57.133 57.173 -0.040 17482 1014 1 2 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.176 -0.524 17482 1015 1 2 . 1 1 76 76 ASP H H 76 7.773 7.773 8.159 -0.386 17482 1016 1 2 . 1 1 77 77 GLN N N 77 119.454 119.454 118.728 0.726 17482 1017 1 2 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.134 0.028 17482 1018 1 2 . 1 1 77 77 GLN C C 77 178.037 178.037 178.079 -0.042 17482 1019 1 2 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.418 -0.037 17482 1020 1 2 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.820 0.660 17482 1021 1 2 . 1 1 77 77 GLN H H 77 7.994 7.994 7.552 0.442 17482 1022 1 2 . 1 1 78 78 ALA N N 78 121.577 121.577 123.143 -1.566 17482 1023 1 2 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.147 0.002 17482 1024 1 2 . 1 1 78 78 ALA C C 78 178.977 178.977 179.562 -0.585 17482 1025 1 2 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.358 -0.227 17482 1026 1 2 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.236 0.419 17482 1027 1 2 . 1 1 78 78 ALA H H 78 8.498 8.498 8.715 -0.217 17482 1028 1 2 . 1 1 79 79 ARG N N 79 117.138 117.138 118.317 -1.179 17482 1029 1 2 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.074 -0.062 17482 1030 1 2 . 1 1 79 79 ARG C C 79 175.449 175.449 178.716 -3.267 17482 1031 1 2 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.065 0.438 17482 1032 1 2 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.767 0.379 17482 1033 1 2 . 1 1 79 79 ARG H H 79 8.101 8.101 7.701 0.400 17482 1034 1 2 . 1 1 80 80 ASP N N 80 120.784 120.784 119.687 1.097 17482 1035 1 2 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.500 0.013 17482 1036 1 2 . 1 1 80 80 ASP C C 80 178.882 178.882 178.690 0.192 17482 1037 1 2 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.134 -0.258 17482 1038 1 2 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.978 -0.650 17482 1039 1 2 . 1 1 80 80 ASP H H 80 8.000 8.000 7.653 0.347 17482 1040 1 2 . 1 1 81 81 TYR N N 81 120.298 120.298 120.885 -0.587 17482 1041 1 2 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.368 0.063 17482 1042 1 2 . 1 1 81 81 TYR C C 81 177.855 177.855 178.047 -0.192 17482 1043 1 2 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.541 0.293 17482 1044 1 2 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.738 -0.260 17482 1045 1 2 . 1 1 81 81 TYR H H 81 8.127 8.127 7.609 0.518 17482 1046 1 2 . 1 1 82 82 MET N N 82 118.452 118.452 118.378 0.074 17482 1047 1 2 . 1 1 82 82 MET HA H 82 4.239 4.239 4.231 0.008 17482 1048 1 2 . 1 1 82 82 MET C C 82 178.175 178.175 178.916 -0.741 17482 1049 1 2 . 1 1 82 82 MET CA C 82 58.757 58.757 58.668 0.089 17482 1050 1 2 . 1 1 82 82 MET CB C 82 32.631 32.631 32.352 0.279 17482 1051 1 2 . 1 1 82 82 MET H H 82 8.382 8.382 8.697 -0.315 17482 1052 1 2 . 1 1 83 83 GLY N N 83 106.740 106.740 105.676 1.064 17482 1053 1 2 . 1 1 83 83 GLY C C 83 176.717 176.717 175.178 1.539 17482 1054 1 2 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.203 0.128 17482 1055 1 2 . 1 1 83 83 GLY H H 83 8.308 8.308 8.087 0.221 17482 1056 1 2 . 1 1 84 84 ALA N N 84 125.357 125.357 124.043 1.314 17482 1057 1 2 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.096 0.191 17482 1058 1 2 . 1 1 84 84 ALA C C 84 180.149 180.149 179.347 0.802 17482 1059 1 2 . 1 1 84 84 ALA CA C 84 54.648 54.648 55.031 -0.383 17482 1060 1 2 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.231 0.310 17482 1061 1 2 . 1 1 84 84 ALA H H 84 7.905 7.905 7.648 0.257 17482 1062 1 2 . 1 1 85 85 ALA N N 85 121.332 121.332 120.776 0.556 17482 1063 1 2 . 1 1 85 85 ALA HA H 85 4.025 4.025 4.061 -0.036 17482 1064 1 2 . 1 1 85 85 ALA C C 85 178.847 178.847 180.004 -1.157 17482 1065 1 2 . 1 1 85 85 ALA CA C 85 55.283 55.283 55.098 0.185 17482 1066 1 2 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.086 0.401 17482 1067 1 2 . 1 1 85 85 ALA H H 85 8.341 8.341 7.838 0.503 17482 1068 1 2 . 1 1 86 86 LYS N N 86 116.980 116.980 118.758 -1.778 17482 1069 1 2 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.994 -0.122 17482 1070 1 2 . 1 1 86 86 LYS C C 86 178.485 178.485 179.011 -0.526 17482 1071 1 2 . 1 1 86 86 LYS CA C 86 60.193 60.193 58.901 1.292 17482 1072 1 2 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.557 0.774 17482 1073 1 2 . 1 1 86 86 LYS H H 86 8.360 8.360 7.550 0.810 17482 1074 1 2 . 1 1 87 87 SER N N 87 113.632 113.632 115.102 -1.470 17482 1075 1 2 . 1 1 87 87 SER HA H 87 4.299 4.299 4.097 0.202 17482 1076 1 2 . 1 1 87 87 SER C C 87 176.467 176.467 176.641 -0.174 17482 1077 1 2 . 1 1 87 87 SER CA C 87 61.614 61.614 61.678 -0.065 17482 1078 1 2 . 1 1 87 87 SER CB C 87 63.064 63.064 62.981 0.083 17482 1079 1 2 . 1 1 87 87 SER H H 87 7.863 7.863 7.805 0.058 17482 1080 1 2 . 1 1 88 88 LYS N N 88 120.925 120.925 121.315 -0.390 17482 1081 1 2 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.047 0.298 17482 1082 1 2 . 1 1 88 88 LYS C C 88 178.502 178.502 178.962 -0.460 17482 1083 1 2 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.631 -0.935 17482 1084 1 2 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.214 -0.203 17482 1085 1 2 . 1 1 88 88 LYS H H 88 7.843 7.843 7.914 -0.071 17482 1086 1 2 . 1 1 89 89 LEU N N 89 119.955 119.955 120.995 -1.040 17482 1087 1 2 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.929 0.176 17482 1088 1 2 . 1 1 89 89 LEU C C 89 178.209 178.209 178.507 -0.298 17482 1089 1 2 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.043 0.154 17482 1090 1 2 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.640 -0.009 17482 1091 1 2 . 1 1 89 89 LEU H H 89 8.174 8.174 8.460 -0.286 17482 1092 1 2 . 1 1 90 90 ASN N N 90 117.013 117.013 116.544 0.469 17482 1093 1 2 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.394 -0.001 17482 1094 1 2 . 1 1 90 90 ASN C C 90 174.164 174.164 177.586 -3.422 17482 1095 1 2 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.867 0.299 17482 1096 1 2 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.200 0.752 17482 1097 1 2 . 1 1 90 90 ASN H H 90 8.223 8.223 8.285 -0.062 17482 1098 1 2 . 1 1 91 91 ASP N N 91 119.959 119.959 118.769 1.190 17482 1099 1 2 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.482 -0.025 17482 1100 1 2 . 1 1 91 91 ASP C C 91 178.804 178.804 177.737 1.067 17482 1101 1 2 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.280 0.158 17482 1102 1 2 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.663 -0.483 17482 1103 1 2 . 1 1 91 91 ASP H H 91 8.043 8.043 7.505 0.538 17482 1104 1 2 . 1 1 92 92 ALA N N 92 123.900 123.900 122.578 1.322 17482 1105 1 2 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.284 -0.081 17482 1106 1 2 . 1 1 92 92 ALA C C 92 178.951 178.951 179.625 -0.674 17482 1107 1 2 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.984 0.553 17482 1108 1 2 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.780 -0.276 17482 1109 1 2 . 1 1 92 92 ALA H H 92 8.256 8.256 7.630 0.626 17482 1110 1 2 . 1 1 93 93 VAL N N 93 118.228 118.228 119.585 -1.357 17482 1111 1 2 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.558 0.036 17482 1112 1 2 . 1 1 93 93 VAL C C 93 178.761 178.761 178.127 0.634 17482 1113 1 2 . 1 1 93 93 VAL CA C 93 67.157 67.157 66.769 0.388 17482 1114 1 2 . 1 1 93 93 VAL CB C 93 31.795 31.795 30.435 1.360 17482 1115 1 2 . 1 1 93 93 VAL H H 93 8.449 8.449 8.687 -0.238 17482 1116 1 2 . 1 1 94 94 GLU N N 94 120.485 120.485 119.418 1.067 17482 1117 1 2 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.962 0.083 17482 1118 1 2 . 1 1 94 94 GLU C C 94 179.347 179.347 179.367 -0.020 17482 1119 1 2 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.084 -0.453 17482 1120 1 2 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.530 0.000 17482 1121 1 2 . 1 1 94 94 GLU H H 94 8.175 8.175 7.864 0.311 17482 1122 1 2 . 1 1 95 95 TYR N N 95 120.806 120.806 119.747 1.059 17482 1123 1 2 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.288 -0.060 17482 1124 1 2 . 1 1 95 95 TYR C C 95 178.407 178.407 177.631 0.776 17482 1125 1 2 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.197 0.364 17482 1126 1 2 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.613 0.018 17482 1127 1 2 . 1 1 95 95 TYR H H 95 8.197 8.197 7.383 0.814 17482 1128 1 2 . 1 1 96 96 VAL N N 96 118.584 118.584 119.515 -0.931 17482 1129 1 2 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.660 -0.177 17482 1130 1 2 . 1 1 96 96 VAL C C 96 177.752 177.752 178.213 -0.461 17482 1131 1 2 . 1 1 96 96 VAL CA C 96 66.680 66.680 66.175 0.505 17482 1132 1 2 . 1 1 96 96 VAL CB C 96 32.022 32.022 30.831 1.191 17482 1133 1 2 . 1 1 96 96 VAL H H 96 8.525 8.525 8.545 -0.020 17482 1134 1 2 . 1 1 97 97 SER N N 97 114.566 114.566 114.879 -0.313 17482 1135 1 2 . 1 1 97 97 SER HA H 97 4.080 4.080 4.175 -0.095 17482 1136 1 2 . 1 1 97 97 SER C C 97 176.803 176.803 176.982 -0.179 17482 1137 1 2 . 1 1 97 97 SER CA C 97 61.800 61.800 62.517 -0.717 17482 1138 1 2 . 1 1 97 97 SER CB C 97 63.258 63.258 62.887 0.371 17482 1139 1 2 . 1 1 97 97 SER H H 97 8.642 8.642 8.895 -0.253 17482 1140 1 2 . 1 1 98 98 GLY N N 98 107.586 107.586 107.184 0.402 17482 1141 1 2 . 1 1 98 98 GLY C C 98 175.553 175.553 175.248 0.305 17482 1142 1 2 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.856 0.700 17482 1143 1 2 . 1 1 98 98 GLY H H 98 7.926 7.926 7.638 0.288 17482 1144 1 2 . 1 1 99 99 ARG N N 99 119.948 119.948 120.884 -0.936 17482 1145 1 2 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.393 -0.190 17482 1146 1 2 . 1 1 99 99 ARG C C 99 177.830 177.830 178.436 -0.606 17482 1147 1 2 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.234 -0.105 17482 1148 1 2 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.846 -0.634 17482 1149 1 2 . 1 1 99 99 ARG H H 99 7.611 7.611 7.457 0.154 17482 1150 1 2 . 1 1 100 100 VAL N N 100 116.709 116.709 118.306 -1.597 17482 1151 1 2 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.725 0.215 17482 1152 1 2 . 1 1 100 100 VAL C C 100 176.381 176.381 177.343 -0.962 17482 1153 1 2 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.964 -2.033 17482 1154 1 2 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.977 0.354 17482 1155 1 2 . 1 1 100 100 VAL H H 100 7.906 7.906 8.490 -0.584 17482 1156 1 2 . 1 1 101 101 HIS N N 101 117.584 117.584 117.665 -0.081 17482 1157 1 2 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.194 0.581 17482 1158 1 2 . 1 1 101 101 HIS C C 101 175.484 175.484 175.092 0.392 17482 1159 1 2 . 1 1 101 101 HIS CA C 101 55.862 55.862 57.753 -1.891 17482 1160 1 2 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.183 0.334 17482 1161 1 2 . 1 1 101 101 HIS H H 101 8.061 8.061 8.145 -0.084 17482 1162 1 2 . 1 1 102 102 GLY N N 102 109.164 109.164 107.720 1.444 17482 1163 1 2 . 1 1 102 102 GLY C C 102 174.121 174.121 172.617 1.504 17482 1164 1 2 . 1 1 102 102 GLY CA C 102 45.719 45.719 44.394 1.325 17482 1165 1 2 . 1 1 102 102 GLY H H 102 7.990 7.990 8.159 -0.169 17482 1166 1 2 . 1 1 103 103 GLU N N 103 120.493 120.493 121.827 -1.334 17482 1167 1 2 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.328 -0.013 17482 1168 1 2 . 1 1 103 103 GLU C C 103 176.467 176.467 176.020 0.447 17482 1169 1 2 . 1 1 103 103 GLU CA C 103 56.451 56.451 56.447 0.005 17482 1170 1 2 . 1 1 103 103 GLU CB C 103 30.731 30.731 30.056 0.675 17482 1171 1 2 . 1 1 103 103 GLU H H 103 8.320 8.320 8.498 -0.178 17482 1172 1 2 . 1 1 104 104 GLU N N 104 122.018 122.018 124.436 -2.418 17482 1173 1 2 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.340 -0.077 17482 1174 1 2 . 1 1 104 104 GLU C C 104 175.820 175.820 175.486 0.334 17482 1175 1 2 . 1 1 104 104 GLU CA C 104 56.480 56.480 56.758 -0.278 17482 1176 1 2 . 1 1 104 104 GLU CB C 104 30.654 30.654 30.178 0.476 17482 1177 1 2 . 1 1 104 104 GLU H H 104 8.358 8.358 8.459 -0.101 17482 1178 1 2 . 1 1 105 105 ASP N N 105 122.625 122.625 124.494 -1.869 17482 1179 1 2 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.798 0.100 17482 1180 1 2 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.114 -1.387 17482 1181 1 2 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.578 0.036 17482 1182 1 2 . 1 1 105 105 ASP H H 105 8.350 8.350 8.500 -0.150 17482 1183 1 2 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.536 -0.070 17482 1184 1 2 . 1 1 106 106 PRO C C 106 177.605 177.605 176.573 1.032 17482 1185 1 2 . 1 1 106 106 PRO CA C 106 63.921 63.921 62.698 1.223 17482 1186 1 2 . 1 1 106 106 PRO CB C 106 32.296 32.296 31.356 0.940 17482 1187 1 2 . 1 1 107 107 THR N N 107 111.954 111.954 118.068 -6.114 17482 1188 1 2 . 1 1 107 107 THR HA H 107 4.281 4.281 4.461 -0.180 17482 1189 1 2 . 1 1 107 107 THR C C 107 174.889 174.889 174.526 0.363 17482 1190 1 2 . 1 1 107 107 THR CA C 107 62.896 62.896 61.484 1.412 17482 1191 1 2 . 1 1 107 107 THR CB C 107 69.593 69.593 70.396 -0.803 17482 1192 1 2 . 1 1 107 107 THR H H 107 8.355 8.355 8.135 0.220 17482 1193 1 2 . 1 1 108 108 LYS N N 108 123.177 123.177 125.003 -1.826 17482 1194 1 2 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.425 -0.070 17482 1195 1 2 . 1 1 108 108 LYS C C 108 175.406 175.406 176.482 -1.076 17482 1196 1 2 . 1 1 108 108 LYS CA C 108 56.252 56.252 56.036 0.216 17482 1197 1 2 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.004 -0.040 17482 1198 1 2 . 1 1 108 108 LYS H H 108 7.739 7.739 8.472 -0.733 17482 1199 1 3 . 1 1 2 2 SER HA H 2 4.546 4.546 4.346 0.200 17482 1200 1 3 . 1 1 2 2 SER CA C 2 58.499 58.499 58.377 0.122 17482 1201 1 3 . 1 1 2 2 SER CB C 2 64.011 64.011 63.376 0.635 17482 1202 1 3 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.716 -0.114 17482 1203 1 3 . 1 1 3 3 ASP C C 3 176.010 176.010 175.232 0.778 17482 1204 1 3 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.693 1.043 17482 1205 1 3 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.883 -0.614 17482 1206 1 3 . 1 1 4 4 ALA N N 4 123.253 123.253 121.211 2.042 17482 1207 1 3 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.273 0.053 17482 1208 1 3 . 1 1 4 4 ALA C C 4 178.097 178.097 177.093 1.004 17482 1209 1 3 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.954 -0.107 17482 1210 1 3 . 1 1 4 4 ALA CB C 4 19.323 19.323 17.924 1.399 17482 1211 1 3 . 1 1 4 4 ALA H H 4 8.095 8.095 8.650 -0.555 17482 1212 1 3 . 1 1 5 5 GLY N N 5 107.651 107.651 108.991 -1.340 17482 1213 1 3 . 1 1 5 5 GLY C C 5 174.828 174.828 174.286 0.542 17482 1214 1 3 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.763 0.685 17482 1215 1 3 . 1 1 5 5 GLY H H 5 8.167 8.167 8.357 -0.190 17482 1216 1 3 . 1 1 6 6 ARG N N 6 120.230 120.230 122.035 -1.805 17482 1217 1 3 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.683 -0.334 17482 1218 1 3 . 1 1 6 6 ARG C C 6 176.562 176.562 175.199 1.363 17482 1219 1 3 . 1 1 6 6 ARG CA C 6 56.399 56.399 55.685 0.714 17482 1220 1 3 . 1 1 6 6 ARG CB C 6 30.831 30.831 31.596 -0.765 17482 1221 1 3 . 1 1 6 6 ARG H H 6 8.060 8.060 8.477 -0.417 17482 1222 1 3 . 1 1 7 7 LYS N N 7 121.076 121.076 122.228 -1.152 17482 1223 1 3 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.666 -0.409 17482 1224 1 3 . 1 1 7 7 LYS C C 7 177.010 177.010 177.473 -0.463 17482 1225 1 3 . 1 1 7 7 LYS CA C 7 56.920 56.920 55.209 1.711 17482 1226 1 3 . 1 1 7 7 LYS CB C 7 32.831 32.831 34.208 -1.377 17482 1227 1 3 . 1 1 7 7 LYS H H 7 8.181 8.181 8.296 -0.115 17482 1228 1 3 . 1 1 8 8 GLY N N 8 108.196 108.196 107.889 0.307 17482 1229 1 3 . 1 1 8 8 GLY C C 8 174.828 174.828 176.176 -1.348 17482 1230 1 3 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.994 -1.165 17482 1231 1 3 . 1 1 8 8 GLY H H 8 8.141 8.141 8.673 -0.532 17482 1232 1 3 . 1 1 9 9 PHE N N 9 120.374 120.374 121.563 -1.189 17482 1233 1 3 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.349 0.043 17482 1234 1 3 . 1 1 9 9 PHE C C 9 176.898 176.898 177.081 -0.183 17482 1235 1 3 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.456 1.524 17482 1236 1 3 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.078 0.475 17482 1237 1 3 . 1 1 9 9 PHE H H 9 8.072 8.072 8.422 -0.350 17482 1238 1 3 . 1 1 10 10 GLY N N 10 107.944 107.944 108.261 -0.317 17482 1239 1 3 . 1 1 10 10 GLY C C 10 175.441 175.441 175.365 0.076 17482 1240 1 3 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.290 -0.468 17482 1241 1 3 . 1 1 10 10 GLY H H 10 8.431 8.431 8.131 0.300 17482 1242 1 3 . 1 1 11 11 GLU N N 11 121.098 121.098 121.281 -0.183 17482 1243 1 3 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.909 0.191 17482 1244 1 3 . 1 1 11 11 GLU C C 11 175.234 175.234 179.172 -3.938 17482 1245 1 3 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.291 -0.320 17482 1246 1 3 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.056 0.842 17482 1247 1 3 . 1 1 11 11 GLU H H 11 8.003 8.003 7.825 0.178 17482 1248 1 3 . 1 1 12 12 LYS N N 12 119.103 119.103 119.366 -0.263 17482 1249 1 3 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.013 0.131 17482 1250 1 3 . 1 1 12 12 LYS C C 12 178.520 178.520 178.800 -0.280 17482 1251 1 3 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.658 -0.321 17482 1252 1 3 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.129 0.265 17482 1253 1 3 . 1 1 12 12 LYS H H 12 7.930 7.930 7.340 0.590 17482 1254 1 3 . 1 1 13 13 ALA N N 13 121.534 121.534 122.739 -1.205 17482 1255 1 3 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.902 0.109 17482 1256 1 3 . 1 1 13 13 ALA C C 13 178.364 178.364 179.767 -1.403 17482 1257 1 3 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.157 -0.429 17482 1258 1 3 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.866 0.594 17482 1259 1 3 . 1 1 13 13 ALA H H 13 8.216 8.216 8.293 -0.077 17482 1260 1 3 . 1 1 14 14 SER N N 14 111.263 111.263 112.740 -1.477 17482 1261 1 3 . 1 1 14 14 SER HA H 14 4.114 4.114 4.123 -0.009 17482 1262 1 3 . 1 1 14 14 SER C C 14 176.148 176.148 176.958 -0.810 17482 1263 1 3 . 1 1 14 14 SER CA C 14 61.159 61.159 61.581 -0.422 17482 1264 1 3 . 1 1 14 14 SER CB C 14 63.250 63.250 63.071 0.179 17482 1265 1 3 . 1 1 14 14 SER H H 14 8.000 8.000 8.113 -0.113 17482 1266 1 3 . 1 1 15 15 GLU N N 15 119.902 119.902 120.463 -0.561 17482 1267 1 3 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.139 0.027 17482 1268 1 3 . 1 1 15 15 GLU C C 15 177.493 177.493 177.580 -0.087 17482 1269 1 3 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.316 -0.303 17482 1270 1 3 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.682 0.259 17482 1271 1 3 . 1 1 15 15 GLU H H 15 7.724 7.724 7.406 0.318 17482 1272 1 3 . 1 1 16 16 ALA N N 16 120.687 120.687 122.159 -1.472 17482 1273 1 3 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.101 0.160 17482 1274 1 3 . 1 1 16 16 ALA C C 16 177.933 177.933 179.225 -1.292 17482 1275 1 3 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.679 -0.904 17482 1276 1 3 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.274 0.270 17482 1277 1 3 . 1 1 16 16 ALA H H 16 7.726 7.726 8.036 -0.310 17482 1278 1 3 . 1 1 17 17 LEU N N 17 116.559 116.559 116.158 0.401 17482 1279 1 3 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.142 0.217 17482 1280 1 3 . 1 1 17 17 LEU C C 17 176.277 176.277 177.651 -1.374 17482 1281 1 3 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.993 -2.059 17482 1282 1 3 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.595 0.969 17482 1283 1 3 . 1 1 17 17 LEU H H 17 7.634 7.634 7.543 0.091 17482 1284 1 3 . 1 1 18 18 LYS N N 18 120.269 120.269 119.465 0.804 17482 1285 1 3 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.389 0.178 17482 1286 1 3 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.338 -0.849 17482 1287 1 3 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.585 -0.065 17482 1288 1 3 . 1 1 18 18 LYS H H 18 7.761 7.761 7.539 0.222 17482 1289 1 3 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.398 0.045 17482 1290 1 3 . 1 1 19 19 PRO C C 19 176.984 176.984 175.985 0.999 17482 1291 1 3 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.191 0.642 17482 1292 1 3 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.377 -0.130 17482 1293 1 3 . 1 1 20 20 ASP N N 20 119.103 119.103 116.340 2.763 17482 1294 1 3 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.682 -0.080 17482 1295 1 3 . 1 1 20 20 ASP C C 20 176.639 176.639 175.205 1.434 17482 1296 1 3 . 1 1 20 20 ASP CA C 20 54.497 54.497 53.631 0.866 17482 1297 1 3 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.692 -0.461 17482 1298 1 3 . 1 1 20 20 ASP H H 20 8.383 8.383 8.205 0.178 17482 1299 1 3 . 1 1 21 21 SER N N 21 115.970 115.970 115.333 0.637 17482 1300 1 3 . 1 1 21 21 SER HA H 21 4.376 4.376 4.365 0.011 17482 1301 1 3 . 1 1 21 21 SER C C 21 174.889 174.889 174.755 0.134 17482 1302 1 3 . 1 1 21 21 SER CA C 21 59.093 59.093 58.455 0.638 17482 1303 1 3 . 1 1 21 21 SER CB C 21 63.860 63.860 63.770 0.090 17482 1304 1 3 . 1 1 21 21 SER H H 21 8.054 8.054 8.209 -0.155 17482 1305 1 3 . 1 1 22 22 GLN N N 22 120.766 120.766 120.346 0.420 17482 1306 1 3 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.196 0.082 17482 1307 1 3 . 1 1 22 22 GLN C C 22 175.984 175.984 176.160 -0.176 17482 1308 1 3 . 1 1 22 22 GLN CA C 22 56.739 56.739 56.713 0.026 17482 1309 1 3 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.432 -0.241 17482 1310 1 3 . 1 1 22 22 GLN H H 22 8.452 8.452 8.426 0.026 17482 1311 1 3 . 1 1 23 23 LYS N N 23 120.410 120.410 121.082 -0.672 17482 1312 1 3 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.081 0.256 17482 1313 1 3 . 1 1 23 23 LYS C C 23 176.191 176.191 176.181 0.010 17482 1314 1 3 . 1 1 23 23 LYS CA C 23 56.208 56.208 57.473 -1.265 17482 1315 1 3 . 1 1 23 23 LYS CB C 23 33.736 33.736 31.644 2.092 17482 1316 1 3 . 1 1 23 23 LYS H H 23 7.935 7.935 8.455 -0.520 17482 1317 1 3 . 1 1 24 24 SER N N 24 117.302 117.302 118.153 -0.851 17482 1318 1 3 . 1 1 24 24 SER HA H 24 4.492 4.492 4.805 -0.313 17482 1319 1 3 . 1 1 24 24 SER C C 24 175.717 175.717 175.447 0.270 17482 1320 1 3 . 1 1 24 24 SER CA C 24 58.145 58.145 56.740 1.405 17482 1321 1 3 . 1 1 24 24 SER CB C 24 63.815 63.815 64.525 -0.710 17482 1322 1 3 . 1 1 24 24 SER H H 24 8.365 8.365 8.123 0.242 17482 1323 1 3 . 1 1 25 25 TYR N N 25 121.904 121.904 122.006 -0.102 17482 1324 1 3 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.120 0.262 17482 1325 1 3 . 1 1 25 25 TYR C C 25 177.752 177.752 177.422 0.330 17482 1326 1 3 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.615 -0.670 17482 1327 1 3 . 1 1 25 25 TYR CB C 25 37.821 37.821 38.253 -0.432 17482 1328 1 3 . 1 1 25 25 TYR H H 25 8.205 8.205 9.062 -0.857 17482 1329 1 3 . 1 1 26 26 ALA N N 26 121.123 121.123 121.014 0.109 17482 1330 1 3 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.942 0.115 17482 1331 1 3 . 1 1 26 26 ALA C C 26 179.037 179.037 179.998 -0.961 17482 1332 1 3 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.240 0.297 17482 1333 1 3 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.061 0.412 17482 1334 1 3 . 1 1 26 26 ALA H H 26 8.233 8.233 8.435 -0.202 17482 1335 1 3 . 1 1 27 27 GLU N N 27 117.313 117.313 118.092 -0.779 17482 1336 1 3 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.137 -0.120 17482 1337 1 3 . 1 1 27 27 GLU C C 27 179.166 179.166 179.116 0.050 17482 1338 1 3 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.209 0.269 17482 1339 1 3 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.695 0.171 17482 1340 1 3 . 1 1 27 27 GLU H H 27 7.922 7.922 7.910 0.012 17482 1341 1 3 . 1 1 28 28 GLN N N 28 118.602 118.602 119.191 -0.589 17482 1342 1 3 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.956 0.232 17482 1343 1 3 . 1 1 28 28 GLN C C 28 179.132 179.132 178.725 0.407 17482 1344 1 3 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.715 0.130 17482 1345 1 3 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.435 0.947 17482 1346 1 3 . 1 1 28 28 GLN H H 28 8.179 8.179 7.917 0.262 17482 1347 1 3 . 1 1 29 29 GLY N N 29 107.984 107.984 106.960 1.024 17482 1348 1 3 . 1 1 29 29 GLY C C 29 174.518 174.518 175.714 -1.196 17482 1349 1 3 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.736 0.850 17482 1350 1 3 . 1 1 29 29 GLY H H 29 8.804 8.804 8.542 0.262 17482 1351 1 3 . 1 1 30 30 LYS N N 30 121.339 121.339 122.266 -0.927 17482 1352 1 3 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.899 0.062 17482 1353 1 3 . 1 1 30 30 LYS C C 30 178.925 178.925 179.220 -0.295 17482 1354 1 3 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.242 0.158 17482 1355 1 3 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.267 0.160 17482 1356 1 3 . 1 1 30 30 LYS H H 30 8.406 8.406 7.472 0.934 17482 1357 1 3 . 1 1 31 31 GLU N N 31 119.880 119.880 118.505 1.375 17482 1358 1 3 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.132 -0.092 17482 1359 1 3 . 1 1 31 31 GLU C C 31 177.761 177.761 179.233 -1.472 17482 1360 1 3 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.904 0.627 17482 1361 1 3 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.297 0.234 17482 1362 1 3 . 1 1 31 31 GLU H H 31 8.090 8.090 8.180 -0.090 17482 1363 1 3 . 1 1 32 32 TYR N N 32 119.786 119.786 121.505 -1.719 17482 1364 1 3 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.172 0.099 17482 1365 1 3 . 1 1 32 32 TYR C C 32 178.054 178.054 177.968 0.086 17482 1366 1 3 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.842 -0.122 17482 1367 1 3 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.554 0.376 17482 1368 1 3 . 1 1 32 32 TYR H H 32 8.052 8.052 7.775 0.277 17482 1369 1 3 . 1 1 33 33 ILE N N 33 116.856 116.856 118.151 -1.295 17482 1370 1 3 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.649 0.143 17482 1371 1 3 . 1 1 33 33 ILE C C 33 177.519 177.519 178.043 -0.524 17482 1372 1 3 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.145 -1.126 17482 1373 1 3 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.700 0.411 17482 1374 1 3 . 1 1 33 33 ILE H H 33 8.249 8.249 8.316 -0.067 17482 1375 1 3 . 1 1 34 34 THR N N 34 114.203 114.203 114.493 -0.290 17482 1376 1 3 . 1 1 34 34 THR HA H 34 3.934 3.934 3.838 0.096 17482 1377 1 3 . 1 1 34 34 THR C C 34 176.579 176.579 176.723 -0.144 17482 1378 1 3 . 1 1 34 34 THR CA C 34 66.459 66.459 66.661 -0.202 17482 1379 1 3 . 1 1 34 34 THR CB C 34 68.845 68.845 68.014 0.831 17482 1380 1 3 . 1 1 34 34 THR H H 34 8.254 8.254 8.172 0.082 17482 1381 1 3 . 1 1 35 35 ASP N N 35 121.116 121.116 121.064 0.052 17482 1382 1 3 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.346 0.150 17482 1383 1 3 . 1 1 35 35 ASP C C 35 177.933 177.933 178.427 -0.494 17482 1384 1 3 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.415 -0.353 17482 1385 1 3 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.694 1.134 17482 1386 1 3 . 1 1 35 35 ASP H H 35 7.880 7.880 7.982 -0.102 17482 1387 1 3 . 1 1 36 36 LYS N N 36 116.457 116.457 119.000 -2.543 17482 1388 1 3 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.033 0.124 17482 1389 1 3 . 1 1 36 36 LYS C C 36 177.968 177.968 178.587 -0.619 17482 1390 1 3 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.762 -1.891 17482 1391 1 3 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.250 -0.337 17482 1392 1 3 . 1 1 36 36 LYS H H 36 7.677 7.677 7.548 0.129 17482 1393 1 3 . 1 1 37 37 ALA N N 37 121.588 121.588 121.889 -0.301 17482 1394 1 3 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.079 -0.074 17482 1395 1 3 . 1 1 37 37 ALA C C 37 178.795 178.795 179.919 -1.124 17482 1396 1 3 . 1 1 37 37 ALA CA C 37 55.331 55.331 55.032 0.299 17482 1397 1 3 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.093 0.381 17482 1398 1 3 . 1 1 37 37 ALA H H 37 8.296 8.296 8.257 0.039 17482 1399 1 3 . 1 1 38 38 ASP N N 38 116.490 116.490 118.755 -2.265 17482 1400 1 3 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.444 -0.035 17482 1401 1 3 . 1 1 38 38 ASP C C 38 178.347 178.347 178.465 -0.118 17482 1402 1 3 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.296 -0.567 17482 1403 1 3 . 1 1 38 38 ASP CB C 38 41.048 41.048 40.979 0.069 17482 1404 1 3 . 1 1 38 38 ASP H H 38 8.046 8.046 7.937 0.109 17482 1405 1 3 . 1 1 39 39 LYS N N 39 118.627 118.627 120.809 -2.182 17482 1406 1 3 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.064 0.084 17482 1407 1 3 . 1 1 39 39 LYS C C 39 178.588 178.588 178.881 -0.293 17482 1408 1 3 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.548 -1.322 17482 1409 1 3 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.584 0.073 17482 1410 1 3 . 1 1 39 39 LYS H H 39 7.757 7.757 7.601 0.156 17482 1411 1 3 . 1 1 40 40 VAL N N 40 116.146 116.146 118.684 -2.538 17482 1412 1 3 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.700 0.209 17482 1413 1 3 . 1 1 40 40 VAL C C 40 176.683 176.683 176.722 -0.039 17482 1414 1 3 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.576 -1.167 17482 1415 1 3 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.743 0.591 17482 1416 1 3 . 1 1 40 40 VAL H H 40 7.792 7.792 8.007 -0.215 17482 1417 1 3 . 1 1 41 41 ALA N N 41 122.561 122.561 120.680 1.881 17482 1418 1 3 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.224 -0.101 17482 1419 1 3 . 1 1 41 41 ALA C C 41 179.106 179.106 180.014 -0.908 17482 1420 1 3 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.409 0.120 17482 1421 1 3 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.853 -0.252 17482 1422 1 3 . 1 1 41 41 ALA H H 41 8.094 8.094 7.437 0.657 17482 1423 1 3 . 1 1 42 42 GLY N N 42 105.072 105.072 106.949 -1.877 17482 1424 1 3 . 1 1 42 42 GLY C C 42 174.941 174.941 175.968 -1.027 17482 1425 1 3 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.750 -0.723 17482 1426 1 3 . 1 1 42 42 GLY H H 42 8.044 8.044 8.321 -0.277 17482 1427 1 3 . 1 1 43 43 LYS N N 43 119.123 119.123 118.925 0.198 17482 1428 1 3 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.099 0.242 17482 1429 1 3 . 1 1 43 43 LYS C C 43 176.631 176.631 177.127 -0.496 17482 1430 1 3 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.566 0.231 17482 1431 1 3 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.372 1.024 17482 1432 1 3 . 1 1 43 43 LYS H H 43 7.834 7.834 8.085 -0.251 17482 1433 1 3 . 1 1 44 44 VAL N N 44 116.413 116.413 120.199 -3.786 17482 1434 1 3 . 1 1 44 44 VAL HA H 44 4.146 4.146 3.919 0.227 17482 1435 1 3 . 1 1 44 44 VAL C C 44 175.018 175.018 175.323 -0.305 17482 1436 1 3 . 1 1 44 44 VAL CA C 44 62.331 62.331 63.098 -0.767 17482 1437 1 3 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.230 0.411 17482 1438 1 3 . 1 1 44 44 VAL H H 44 7.650 7.650 7.539 0.111 17482 1439 1 3 . 1 1 45 45 GLN N N 45 122.078 122.078 126.302 -4.224 17482 1440 1 3 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.595 0.064 17482 1441 1 3 . 1 1 45 45 GLN CA C 45 53.664 53.664 52.787 0.877 17482 1442 1 3 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.547 0.782 17482 1443 1 3 . 1 1 45 45 GLN H H 45 8.154 8.154 8.359 -0.205 17482 1444 1 3 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.513 -0.080 17482 1445 1 3 . 1 1 46 46 PRO C C 46 177.329 177.329 176.806 0.523 17482 1446 1 3 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.632 1.122 17482 1447 1 3 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.545 -0.314 17482 1448 1 3 . 1 1 47 47 GLU N N 47 119.456 119.456 118.794 0.662 17482 1449 1 3 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.021 0.190 17482 1450 1 3 . 1 1 47 47 GLU C C 47 176.484 176.484 175.989 0.495 17482 1451 1 3 . 1 1 47 47 GLU CA C 47 57.468 57.468 57.507 -0.039 17482 1452 1 3 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.542 0.787 17482 1453 1 3 . 1 1 47 47 GLU H H 47 8.491 8.491 8.404 0.087 17482 1454 1 3 . 1 1 48 48 ASP N N 48 119.108 119.108 117.288 1.820 17482 1455 1 3 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.434 0.151 17482 1456 1 3 . 1 1 48 48 ASP C C 48 175.863 175.863 175.502 0.361 17482 1457 1 3 . 1 1 48 48 ASP CA C 48 54.579 54.579 54.797 -0.218 17482 1458 1 3 . 1 1 48 48 ASP CB C 48 41.131 41.131 41.080 0.051 17482 1459 1 3 . 1 1 48 48 ASP H H 48 8.137 8.137 7.769 0.368 17482 1460 1 3 . 1 1 49 49 ASN N N 49 117.714 117.714 117.380 0.334 17482 1461 1 3 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.616 0.049 17482 1462 1 3 . 1 1 49 49 ASN C C 49 174.975 174.975 174.154 0.821 17482 1463 1 3 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.626 0.102 17482 1464 1 3 . 1 1 49 49 ASN CB C 49 39.131 39.131 39.204 -0.073 17482 1465 1 3 . 1 1 49 49 ASN H H 49 8.173 8.173 8.696 -0.523 17482 1466 1 3 . 1 1 50 50 LYS N N 50 120.215 120.215 118.564 1.651 17482 1467 1 3 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.122 0.186 17482 1468 1 3 . 1 1 50 50 LYS C C 50 176.950 176.950 176.318 0.632 17482 1469 1 3 . 1 1 50 50 LYS CA C 50 56.828 56.828 57.130 -0.302 17482 1470 1 3 . 1 1 50 50 LYS CB C 50 33.031 33.031 32.833 0.198 17482 1471 1 3 . 1 1 50 50 LYS H H 50 8.098 8.098 7.957 0.141 17482 1472 1 3 . 1 1 51 51 GLY N N 51 109.286 109.286 109.206 0.080 17482 1473 1 3 . 1 1 51 51 GLY C C 51 175.251 175.251 174.376 0.875 17482 1474 1 3 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.089 0.824 17482 1475 1 3 . 1 1 51 51 GLY H H 51 8.295 8.295 8.375 -0.080 17482 1476 1 3 . 1 1 52 52 VAL N N 52 119.528 119.528 118.721 0.807 17482 1477 1 3 . 1 1 52 52 VAL HA H 52 3.864 3.864 4.115 -0.251 17482 1478 1 3 . 1 1 52 52 VAL C C 52 176.372 176.372 175.838 0.534 17482 1479 1 3 . 1 1 52 52 VAL CA C 52 64.346 64.346 63.180 1.166 17482 1480 1 3 . 1 1 52 52 VAL CB C 52 32.230 32.230 32.049 0.181 17482 1481 1 3 . 1 1 52 52 VAL H H 52 7.940 7.940 7.866 0.074 17482 1482 1 3 . 1 1 53 53 PHE N N 53 118.265 118.265 119.547 -1.282 17482 1483 1 3 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.803 -0.210 17482 1484 1 3 . 1 1 53 53 PHE C C 53 176.441 176.441 177.232 -0.791 17482 1485 1 3 . 1 1 53 53 PHE CA C 53 58.676 58.676 58.965 -0.289 17482 1486 1 3 . 1 1 53 53 PHE CB C 53 38.635 38.635 39.826 -1.191 17482 1487 1 3 . 1 1 53 53 PHE H H 53 8.046 8.046 7.876 0.170 17482 1488 1 3 . 1 1 54 54 GLN N N 54 119.441 119.441 120.294 -0.853 17482 1489 1 3 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.170 0.001 17482 1490 1 3 . 1 1 54 54 GLN C C 54 177.166 177.166 178.664 -1.498 17482 1491 1 3 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.563 -2.014 17482 1492 1 3 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.190 1.309 17482 1493 1 3 . 1 1 54 54 GLN H H 54 7.978 7.978 8.723 -0.745 17482 1494 1 3 . 1 1 55 55 GLY N N 55 107.822 107.822 107.798 0.024 17482 1495 1 3 . 1 1 55 55 GLY C C 55 175.294 175.294 176.344 -1.050 17482 1496 1 3 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.545 -0.357 17482 1497 1 3 . 1 1 55 55 GLY H H 55 8.120 8.120 8.423 -0.303 17482 1498 1 3 . 1 1 56 56 VAL N N 56 119.174 119.174 122.887 -3.713 17482 1499 1 3 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.697 0.275 17482 1500 1 3 . 1 1 56 56 VAL C C 56 176.527 176.527 176.866 -0.339 17482 1501 1 3 . 1 1 56 56 VAL CA C 56 64.004 64.004 64.302 -0.298 17482 1502 1 3 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.053 1.139 17482 1503 1 3 . 1 1 56 56 VAL H H 56 7.774 7.774 7.757 0.017 17482 1504 1 3 . 1 1 57 57 HIS N N 57 119.221 119.221 119.734 -0.513 17482 1505 1 3 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.330 0.212 17482 1506 1 3 . 1 1 57 57 HIS CA C 57 56.973 56.973 59.457 -2.484 17482 1507 1 3 . 1 1 57 57 HIS CB C 57 29.608 29.608 29.720 -0.112 17482 1508 1 3 . 1 1 57 57 HIS H H 57 8.201 8.201 8.142 0.059 17482 1509 1 3 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.426 0.154 17482 1510 1 3 . 1 1 58 58 ASP C C 58 177.097 177.097 177.257 -0.160 17482 1511 1 3 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.154 -2.133 17482 1512 1 3 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.510 0.726 17482 1513 1 3 . 1 1 59 59 SER N N 59 116.347 116.347 114.836 1.511 17482 1514 1 3 . 1 1 59 59 SER HA H 59 4.372 4.372 4.347 0.025 17482 1515 1 3 . 1 1 59 59 SER C C 59 175.087 175.087 176.005 -0.918 17482 1516 1 3 . 1 1 59 59 SER CA C 59 59.207 59.207 59.979 -0.772 17482 1517 1 3 . 1 1 59 59 SER CB C 59 63.780 63.780 63.448 0.332 17482 1518 1 3 . 1 1 59 59 SER H H 59 8.134 8.134 7.460 0.674 17482 1519 1 3 . 1 1 60 60 ALA N N 60 125.097 125.097 123.973 1.124 17482 1520 1 3 . 1 1 60 60 ALA HA H 60 4.253 4.253 3.994 0.259 17482 1521 1 3 . 1 1 60 60 ALA C C 60 178.192 178.192 177.912 0.280 17482 1522 1 3 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.354 -0.793 17482 1523 1 3 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.180 0.898 17482 1524 1 3 . 1 1 60 60 ALA H H 60 8.203 8.203 7.490 0.713 17482 1525 1 3 . 1 1 61 61 GLU N N 61 118.432 118.432 116.338 2.094 17482 1526 1 3 . 1 1 61 61 GLU HA H 61 4.200 4.200 3.996 0.204 17482 1527 1 3 . 1 1 61 61 GLU C C 61 177.036 177.036 176.867 0.169 17482 1528 1 3 . 1 1 61 61 GLU CA C 61 57.224 57.224 58.211 -0.987 17482 1529 1 3 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.731 0.497 17482 1530 1 3 . 1 1 61 61 GLU H H 61 8.095 8.095 8.262 -0.167 17482 1531 1 3 . 1 1 62 62 LYS N N 62 120.770 120.770 118.846 1.924 17482 1532 1 3 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.485 -0.188 17482 1533 1 3 . 1 1 62 62 LYS C C 62 177.450 177.450 176.523 0.927 17482 1534 1 3 . 1 1 62 62 LYS CA C 62 56.826 56.826 55.834 0.992 17482 1535 1 3 . 1 1 62 62 LYS CB C 62 32.943 32.943 32.532 0.411 17482 1536 1 3 . 1 1 62 62 LYS H H 62 7.969 7.969 7.554 0.415 17482 1537 1 3 . 1 1 63 63 GLY N N 63 108.912 108.912 115.549 -6.637 17482 1538 1 3 . 1 1 63 63 GLY C C 63 174.432 174.432 174.120 0.312 17482 1539 1 3 . 1 1 63 63 GLY CA C 63 45.751 45.751 45.096 0.655 17482 1540 1 3 . 1 1 63 63 GLY H H 63 8.287 8.287 8.679 -0.392 17482 1541 1 3 . 1 1 64 64 LYS N N 64 120.529 120.529 122.879 -2.350 17482 1542 1 3 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.171 0.127 17482 1543 1 3 . 1 1 64 64 LYS C C 64 176.622 176.622 174.965 1.657 17482 1544 1 3 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.913 -0.182 17482 1545 1 3 . 1 1 64 64 LYS CB C 64 33.117 33.117 32.963 0.154 17482 1546 1 3 . 1 1 64 64 LYS H H 64 8.019 8.019 8.091 -0.072 17482 1547 1 3 . 1 1 65 65 ASP N N 65 120.673 120.673 119.819 0.854 17482 1548 1 3 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.325 0.255 17482 1549 1 3 . 1 1 65 65 ASP C C 65 176.226 176.226 174.491 1.735 17482 1550 1 3 . 1 1 65 65 ASP CA C 65 54.783 54.783 54.893 -0.110 17482 1551 1 3 . 1 1 65 65 ASP CB C 65 41.172 41.172 40.447 0.725 17482 1552 1 3 . 1 1 65 65 ASP H H 65 8.296 8.296 8.274 0.022 17482 1553 1 3 . 1 1 66 66 ASN N N 66 118.902 118.902 118.932 -0.030 17482 1554 1 3 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.400 0.290 17482 1555 1 3 . 1 1 66 66 ASN C C 66 175.217 175.217 173.407 1.810 17482 1556 1 3 . 1 1 66 66 ASN CA C 66 53.475 53.475 53.765 -0.290 17482 1557 1 3 . 1 1 66 66 ASN CB C 66 39.117 39.117 38.606 0.511 17482 1558 1 3 . 1 1 66 66 ASN H H 66 8.212 8.212 8.564 -0.352 17482 1559 1 3 . 1 1 67 67 ALA N N 67 124.149 124.149 123.588 0.561 17482 1560 1 3 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.565 -0.265 17482 1561 1 3 . 1 1 67 67 ALA C C 67 177.890 177.890 176.293 1.597 17482 1562 1 3 . 1 1 67 67 ALA CA C 67 53.053 53.053 51.977 1.076 17482 1563 1 3 . 1 1 67 67 ALA CB C 67 19.427 19.427 20.238 -0.811 17482 1564 1 3 . 1 1 67 67 ALA H H 67 8.212 8.212 8.289 -0.077 17482 1565 1 3 . 1 1 68 68 GLU N N 68 119.216 119.216 117.334 1.882 17482 1566 1 3 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.360 -0.089 17482 1567 1 3 . 1 1 68 68 GLU C C 68 177.243 177.243 174.693 2.550 17482 1568 1 3 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.054 0.743 17482 1569 1 3 . 1 1 68 68 GLU CB C 68 30.159 30.159 31.646 -1.487 17482 1570 1 3 . 1 1 68 68 GLU H H 68 8.286 8.286 8.024 0.262 17482 1571 1 3 . 1 1 69 69 GLY N N 69 109.637 109.637 107.466 2.171 17482 1572 1 3 . 1 1 69 69 GLY C C 69 174.371 174.371 172.451 1.920 17482 1573 1 3 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.786 -0.152 17482 1574 1 3 . 1 1 69 69 GLY H H 69 8.293 8.293 8.261 0.032 17482 1575 1 3 . 1 1 70 70 GLN N N 70 119.629 119.629 119.312 0.317 17482 1576 1 3 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.304 0.089 17482 1577 1 3 . 1 1 70 70 GLN C C 70 176.502 176.502 175.600 0.902 17482 1578 1 3 . 1 1 70 70 GLN CA C 70 56.046 56.046 56.144 -0.098 17482 1579 1 3 . 1 1 70 70 GLN CB C 70 29.627 29.627 30.852 -1.225 17482 1580 1 3 . 1 1 70 70 GLN H H 70 8.201 8.201 8.266 -0.065 17482 1581 1 3 . 1 1 71 71 GLY N N 71 109.977 109.977 113.822 -3.845 17482 1582 1 3 . 1 1 71 71 GLY C C 71 173.992 173.992 174.025 -0.033 17482 1583 1 3 . 1 1 71 71 GLY CA C 71 45.634 45.634 45.453 0.181 17482 1584 1 3 . 1 1 71 71 GLY H H 71 8.424 8.424 8.600 -0.176 17482 1585 1 3 . 1 1 72 72 GLU N N 72 120.532 120.532 122.834 -2.302 17482 1586 1 3 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.267 0.144 17482 1587 1 3 . 1 1 72 72 GLU C C 72 176.639 176.639 175.338 1.301 17482 1588 1 3 . 1 1 72 72 GLU CA C 72 56.618 56.618 57.053 -0.435 17482 1589 1 3 . 1 1 72 72 GLU CB C 72 30.731 30.731 29.007 1.724 17482 1590 1 3 . 1 1 72 72 GLU H H 72 8.244 8.244 8.503 -0.259 17482 1591 1 3 . 1 1 73 73 SER N N 73 117.827 117.827 117.935 -0.108 17482 1592 1 3 . 1 1 73 73 SER HA H 73 4.589 4.589 4.524 0.065 17482 1593 1 3 . 1 1 73 73 SER C C 73 175.475 175.475 174.338 1.137 17482 1594 1 3 . 1 1 73 73 SER CA C 73 58.064 58.064 58.539 -0.475 17482 1595 1 3 . 1 1 73 73 SER CB C 73 64.761 64.761 63.787 0.974 17482 1596 1 3 . 1 1 73 73 SER H H 73 8.689 8.689 8.123 0.566 17482 1597 1 3 . 1 1 74 74 LEU N N 74 124.414 124.414 127.171 -2.757 17482 1598 1 3 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.001 0.200 17482 1599 1 3 . 1 1 74 74 LEU C C 74 178.735 178.735 177.917 0.818 17482 1600 1 3 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.366 0.529 17482 1601 1 3 . 1 1 74 74 LEU CB C 74 41.934 41.934 42.023 -0.089 17482 1602 1 3 . 1 1 74 74 LEU H H 74 8.514 8.514 8.523 -0.009 17482 1603 1 3 . 1 1 75 75 ALA N N 75 120.291 120.291 120.282 0.009 17482 1604 1 3 . 1 1 75 75 ALA HA H 75 3.990 3.990 4.018 -0.028 17482 1605 1 3 . 1 1 75 75 ALA C C 75 179.046 179.046 180.053 -1.007 17482 1606 1 3 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.837 0.430 17482 1607 1 3 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.895 0.699 17482 1608 1 3 . 1 1 75 75 ALA H H 75 8.160 8.160 8.226 -0.066 17482 1609 1 3 . 1 1 76 76 ASP N N 76 117.288 117.288 117.294 -0.006 17482 1610 1 3 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.503 -0.097 17482 1611 1 3 . 1 1 76 76 ASP C C 76 178.476 178.476 178.642 -0.166 17482 1612 1 3 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.832 0.301 17482 1613 1 3 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.082 -0.430 17482 1614 1 3 . 1 1 76 76 ASP H H 76 7.773 7.773 8.166 -0.393 17482 1615 1 3 . 1 1 77 77 GLN N N 77 119.454 119.454 118.888 0.566 17482 1616 1 3 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.182 -0.020 17482 1617 1 3 . 1 1 77 77 GLN C C 77 178.037 178.037 178.190 -0.153 17482 1618 1 3 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.280 0.101 17482 1619 1 3 . 1 1 77 77 GLN CB C 77 29.480 29.480 29.066 0.414 17482 1620 1 3 . 1 1 77 77 GLN H H 77 7.994 7.994 7.787 0.207 17482 1621 1 3 . 1 1 78 78 ALA N N 78 121.577 121.577 122.885 -1.308 17482 1622 1 3 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.191 -0.042 17482 1623 1 3 . 1 1 78 78 ALA C C 78 178.977 178.977 179.721 -0.744 17482 1624 1 3 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.193 -0.062 17482 1625 1 3 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.404 0.251 17482 1626 1 3 . 1 1 78 78 ALA H H 78 8.498 8.498 8.460 0.038 17482 1627 1 3 . 1 1 79 79 ARG N N 79 117.138 117.138 117.637 -0.499 17482 1628 1 3 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.066 -0.054 17482 1629 1 3 . 1 1 79 79 ARG C C 79 175.449 175.449 178.761 -3.312 17482 1630 1 3 . 1 1 79 79 ARG CA C 79 59.503 59.503 58.817 0.686 17482 1631 1 3 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.565 0.581 17482 1632 1 3 . 1 1 79 79 ARG H H 79 8.101 8.101 7.942 0.159 17482 1633 1 3 . 1 1 80 80 ASP N N 80 120.784 120.784 119.820 0.964 17482 1634 1 3 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.499 0.014 17482 1635 1 3 . 1 1 80 80 ASP C C 80 178.882 178.882 178.400 0.482 17482 1636 1 3 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.516 -0.640 17482 1637 1 3 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.065 -0.737 17482 1638 1 3 . 1 1 80 80 ASP H H 80 8.000 8.000 7.720 0.280 17482 1639 1 3 . 1 1 81 81 TYR N N 81 120.298 120.298 120.921 -0.623 17482 1640 1 3 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.305 0.126 17482 1641 1 3 . 1 1 81 81 TYR C C 81 177.855 177.855 177.543 0.312 17482 1642 1 3 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.378 0.456 17482 1643 1 3 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.669 -0.191 17482 1644 1 3 . 1 1 81 81 TYR H H 81 8.127 8.127 7.554 0.573 17482 1645 1 3 . 1 1 82 82 MET N N 82 118.452 118.452 117.723 0.729 17482 1646 1 3 . 1 1 82 82 MET HA H 82 4.239 4.239 3.910 0.329 17482 1647 1 3 . 1 1 82 82 MET C C 82 178.175 178.175 178.784 -0.609 17482 1648 1 3 . 1 1 82 82 MET CA C 82 58.757 58.757 58.381 0.376 17482 1649 1 3 . 1 1 82 82 MET CB C 82 32.631 32.631 31.937 0.694 17482 1650 1 3 . 1 1 82 82 MET H H 82 8.382 8.382 8.838 -0.456 17482 1651 1 3 . 1 1 83 83 GLY N N 83 106.740 106.740 105.448 1.292 17482 1652 1 3 . 1 1 83 83 GLY C C 83 176.717 176.717 175.233 1.484 17482 1653 1 3 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.184 0.147 17482 1654 1 3 . 1 1 83 83 GLY H H 83 8.308 8.308 7.971 0.337 17482 1655 1 3 . 1 1 84 84 ALA N N 84 125.357 125.357 124.036 1.321 17482 1656 1 3 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.190 0.097 17482 1657 1 3 . 1 1 84 84 ALA C C 84 180.149 180.149 179.258 0.891 17482 1658 1 3 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.595 0.053 17482 1659 1 3 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.278 0.263 17482 1660 1 3 . 1 1 84 84 ALA H H 84 7.905 7.905 7.442 0.463 17482 1661 1 3 . 1 1 85 85 ALA N N 85 121.332 121.332 120.703 0.629 17482 1662 1 3 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.955 0.070 17482 1663 1 3 . 1 1 85 85 ALA C C 85 178.847 178.847 179.686 -0.839 17482 1664 1 3 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.918 0.365 17482 1665 1 3 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.010 0.477 17482 1666 1 3 . 1 1 85 85 ALA H H 85 8.341 8.341 7.616 0.725 17482 1667 1 3 . 1 1 86 86 LYS N N 86 116.980 116.980 119.221 -2.241 17482 1668 1 3 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.881 -0.009 17482 1669 1 3 . 1 1 86 86 LYS C C 86 178.485 178.485 178.750 -0.265 17482 1670 1 3 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.891 0.302 17482 1671 1 3 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.093 0.238 17482 1672 1 3 . 1 1 86 86 LYS H H 86 8.360 8.360 7.652 0.708 17482 1673 1 3 . 1 1 87 87 SER N N 87 113.632 113.632 115.085 -1.453 17482 1674 1 3 . 1 1 87 87 SER HA H 87 4.299 4.299 4.167 0.132 17482 1675 1 3 . 1 1 87 87 SER C C 87 176.467 176.467 176.816 -0.349 17482 1676 1 3 . 1 1 87 87 SER CA C 87 61.614 61.614 61.320 0.294 17482 1677 1 3 . 1 1 87 87 SER CB C 87 63.064 63.064 62.972 0.092 17482 1678 1 3 . 1 1 87 87 SER H H 87 7.863 7.863 7.703 0.160 17482 1679 1 3 . 1 1 88 88 LYS N N 88 120.925 120.925 121.160 -0.235 17482 1680 1 3 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.053 0.292 17482 1681 1 3 . 1 1 88 88 LYS C C 88 178.502 178.502 179.001 -0.499 17482 1682 1 3 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.539 -0.843 17482 1683 1 3 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.164 -0.153 17482 1684 1 3 . 1 1 88 88 LYS H H 88 7.843 7.843 7.745 0.098 17482 1685 1 3 . 1 1 89 89 LEU N N 89 119.955 119.955 121.667 -1.712 17482 1686 1 3 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.917 0.188 17482 1687 1 3 . 1 1 89 89 LEU C C 89 178.209 178.209 178.426 -0.217 17482 1688 1 3 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.903 0.294 17482 1689 1 3 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.556 0.075 17482 1690 1 3 . 1 1 89 89 LEU H H 89 8.174 8.174 8.420 -0.246 17482 1691 1 3 . 1 1 90 90 ASN N N 90 117.013 117.013 116.316 0.697 17482 1692 1 3 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.361 0.032 17482 1693 1 3 . 1 1 90 90 ASN C C 90 174.164 174.164 177.537 -3.373 17482 1694 1 3 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.808 0.358 17482 1695 1 3 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.178 0.774 17482 1696 1 3 . 1 1 90 90 ASN H H 90 8.223 8.223 8.185 0.038 17482 1697 1 3 . 1 1 91 91 ASP N N 91 119.959 119.959 119.411 0.548 17482 1698 1 3 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.487 -0.030 17482 1699 1 3 . 1 1 91 91 ASP C C 91 178.804 178.804 177.632 1.172 17482 1700 1 3 . 1 1 91 91 ASP CA C 91 57.438 57.438 56.962 0.475 17482 1701 1 3 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.679 -0.500 17482 1702 1 3 . 1 1 91 91 ASP H H 91 8.043 8.043 7.475 0.568 17482 1703 1 3 . 1 1 92 92 ALA N N 92 123.900 123.900 122.711 1.189 17482 1704 1 3 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.263 -0.060 17482 1705 1 3 . 1 1 92 92 ALA C C 92 178.951 178.951 179.609 -0.658 17482 1706 1 3 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.901 0.636 17482 1707 1 3 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.803 -0.299 17482 1708 1 3 . 1 1 92 92 ALA H H 92 8.256 8.256 7.583 0.673 17482 1709 1 3 . 1 1 93 93 VAL N N 93 118.228 118.228 119.624 -1.396 17482 1710 1 3 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.442 0.152 17482 1711 1 3 . 1 1 93 93 VAL C C 93 178.761 178.761 177.977 0.784 17482 1712 1 3 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.392 -0.235 17482 1713 1 3 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.266 0.529 17482 1714 1 3 . 1 1 93 93 VAL H H 93 8.449 8.449 8.693 -0.244 17482 1715 1 3 . 1 1 94 94 GLU N N 94 120.485 120.485 119.327 1.158 17482 1716 1 3 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.941 0.104 17482 1717 1 3 . 1 1 94 94 GLU C C 94 179.347 179.347 179.270 0.077 17482 1718 1 3 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.041 -0.410 17482 1719 1 3 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.497 0.034 17482 1720 1 3 . 1 1 94 94 GLU H H 94 8.175 8.175 7.841 0.334 17482 1721 1 3 . 1 1 95 95 TYR N N 95 120.806 120.806 119.707 1.099 17482 1722 1 3 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.285 -0.057 17482 1723 1 3 . 1 1 95 95 TYR C C 95 178.407 178.407 177.609 0.798 17482 1724 1 3 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.201 0.360 17482 1725 1 3 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.616 0.015 17482 1726 1 3 . 1 1 95 95 TYR H H 95 8.197 8.197 7.372 0.825 17482 1727 1 3 . 1 1 96 96 VAL N N 96 118.584 118.584 120.132 -1.548 17482 1728 1 3 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.599 -0.116 17482 1729 1 3 . 1 1 96 96 VAL C C 96 177.752 177.752 177.998 -0.246 17482 1730 1 3 . 1 1 96 96 VAL CA C 96 66.680 66.680 66.395 0.285 17482 1731 1 3 . 1 1 96 96 VAL CB C 96 32.022 32.022 30.735 1.287 17482 1732 1 3 . 1 1 96 96 VAL H H 96 8.525 8.525 8.660 -0.135 17482 1733 1 3 . 1 1 97 97 SER N N 97 114.566 114.566 114.940 -0.374 17482 1734 1 3 . 1 1 97 97 SER HA H 97 4.080 4.080 4.151 -0.071 17482 1735 1 3 . 1 1 97 97 SER C C 97 176.803 176.803 177.048 -0.245 17482 1736 1 3 . 1 1 97 97 SER CA C 97 61.800 61.800 62.273 -0.473 17482 1737 1 3 . 1 1 97 97 SER CB C 97 63.258 63.258 62.820 0.438 17482 1738 1 3 . 1 1 97 97 SER H H 97 8.642 8.642 8.878 -0.236 17482 1739 1 3 . 1 1 98 98 GLY N N 98 107.586 107.586 107.164 0.422 17482 1740 1 3 . 1 1 98 98 GLY C C 98 175.553 175.553 175.038 0.515 17482 1741 1 3 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.811 0.745 17482 1742 1 3 . 1 1 98 98 GLY H H 98 7.926 7.926 7.656 0.270 17482 1743 1 3 . 1 1 99 99 ARG N N 99 119.948 119.948 120.167 -0.219 17482 1744 1 3 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.300 -0.097 17482 1745 1 3 . 1 1 99 99 ARG C C 99 177.830 177.830 178.235 -0.405 17482 1746 1 3 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.611 -0.482 17482 1747 1 3 . 1 1 99 99 ARG CB C 99 30.212 30.212 31.192 -0.980 17482 1748 1 3 . 1 1 99 99 ARG H H 99 7.611 7.611 7.461 0.150 17482 1749 1 3 . 1 1 100 100 VAL N N 100 116.709 116.709 117.472 -0.763 17482 1750 1 3 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.782 0.158 17482 1751 1 3 . 1 1 100 100 VAL C C 100 176.381 176.381 176.860 -0.479 17482 1752 1 3 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.441 -1.510 17482 1753 1 3 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.915 0.416 17482 1754 1 3 . 1 1 100 100 VAL H H 100 7.906 7.906 8.124 -0.218 17482 1755 1 3 . 1 1 101 101 HIS N N 101 117.584 117.584 119.000 -1.416 17482 1756 1 3 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.455 0.320 17482 1757 1 3 . 1 1 101 101 HIS C C 101 175.484 175.484 175.983 -0.499 17482 1758 1 3 . 1 1 101 101 HIS CA C 101 55.862 55.862 57.608 -1.746 17482 1759 1 3 . 1 1 101 101 HIS CB C 101 29.517 29.517 30.513 -0.996 17482 1760 1 3 . 1 1 101 101 HIS H H 101 8.061 8.061 7.503 0.558 17482 1761 1 3 . 1 1 102 102 GLY N N 102 109.164 109.164 107.765 1.399 17482 1762 1 3 . 1 1 102 102 GLY C C 102 174.121 174.121 174.341 -0.220 17482 1763 1 3 . 1 1 102 102 GLY CA C 102 45.719 45.719 46.457 -0.738 17482 1764 1 3 . 1 1 102 102 GLY H H 102 7.990 7.990 8.051 -0.061 17482 1765 1 3 . 1 1 103 103 GLU N N 103 120.493 120.493 121.829 -1.336 17482 1766 1 3 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.470 -0.155 17482 1767 1 3 . 1 1 103 103 GLU C C 103 176.467 176.467 175.113 1.354 17482 1768 1 3 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.796 0.655 17482 1769 1 3 . 1 1 103 103 GLU CB C 103 30.731 30.731 31.652 -0.921 17482 1770 1 3 . 1 1 103 103 GLU H H 103 8.320 8.320 7.934 0.385 17482 1771 1 3 . 1 1 104 104 GLU N N 104 122.018 122.018 121.426 0.592 17482 1772 1 3 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.539 -0.276 17482 1773 1 3 . 1 1 104 104 GLU C C 104 175.820 175.820 174.871 0.949 17482 1774 1 3 . 1 1 104 104 GLU CA C 104 56.480 56.480 56.758 -0.279 17482 1775 1 3 . 1 1 104 104 GLU CB C 104 30.654 30.654 30.126 0.528 17482 1776 1 3 . 1 1 104 104 GLU H H 104 8.358 8.358 8.492 -0.134 17482 1777 1 3 . 1 1 105 105 ASP N N 105 122.625 122.625 121.026 1.599 17482 1778 1 3 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.840 0.058 17482 1779 1 3 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.350 -1.622 17482 1780 1 3 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.682 -0.069 17482 1781 1 3 . 1 1 105 105 ASP H H 105 8.350 8.350 8.381 -0.031 17482 1782 1 3 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.551 -0.085 17482 1783 1 3 . 1 1 106 106 PRO C C 106 177.605 177.605 176.165 1.440 17482 1784 1 3 . 1 1 106 106 PRO CA C 106 63.921 63.921 62.662 1.259 17482 1785 1 3 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.477 -0.181 17482 1786 1 3 . 1 1 107 107 THR N N 107 111.954 111.954 115.226 -3.272 17482 1787 1 3 . 1 1 107 107 THR HA H 107 4.281 4.281 4.437 -0.156 17482 1788 1 3 . 1 1 107 107 THR C C 107 174.889 174.889 173.360 1.529 17482 1789 1 3 . 1 1 107 107 THR CA C 107 62.896 62.896 62.066 0.830 17482 1790 1 3 . 1 1 107 107 THR CB C 107 69.593 69.593 70.285 -0.692 17482 1791 1 3 . 1 1 107 107 THR H H 107 8.355 8.355 8.143 0.212 17482 1792 1 3 . 1 1 108 108 LYS N N 108 123.177 123.177 122.829 0.348 17482 1793 1 3 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.506 -0.151 17482 1794 1 3 . 1 1 108 108 LYS C C 108 175.406 175.406 175.614 -0.208 17482 1795 1 3 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.721 0.531 17482 1796 1 3 . 1 1 108 108 LYS CB C 108 32.964 32.964 35.442 -2.478 17482 1797 1 3 . 1 1 108 108 LYS H H 108 7.739 7.739 8.716 -0.977 17482 1798 1 4 . 1 1 2 2 SER HA H 2 4.546 4.546 5.158 -0.612 17482 1799 1 4 . 1 1 2 2 SER CA C 2 58.499 58.499 57.416 1.083 17482 1800 1 4 . 1 1 2 2 SER CB C 2 64.011 64.011 65.740 -1.729 17482 1801 1 4 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.863 -0.261 17482 1802 1 4 . 1 1 3 3 ASP C C 3 176.010 176.010 174.079 1.931 17482 1803 1 4 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.855 -0.119 17482 1804 1 4 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.701 -0.432 17482 1805 1 4 . 1 1 4 4 ALA N N 4 123.253 123.253 121.365 1.888 17482 1806 1 4 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.502 -0.175 17482 1807 1 4 . 1 1 4 4 ALA C C 4 178.097 178.097 176.626 1.471 17482 1808 1 4 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.680 0.167 17482 1809 1 4 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.326 -1.003 17482 1810 1 4 . 1 1 4 4 ALA H H 4 8.095 8.095 7.818 0.277 17482 1811 1 4 . 1 1 5 5 GLY N N 5 107.651 107.651 109.337 -1.686 17482 1812 1 4 . 1 1 5 5 GLY C C 5 174.828 174.828 174.073 0.755 17482 1813 1 4 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.708 0.740 17482 1814 1 4 . 1 1 5 5 GLY H H 5 8.167 8.167 8.540 -0.373 17482 1815 1 4 . 1 1 6 6 ARG N N 6 120.230 120.230 119.833 0.397 17482 1816 1 4 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.159 0.190 17482 1817 1 4 . 1 1 6 6 ARG C C 6 176.562 176.562 174.952 1.610 17482 1818 1 4 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.844 -0.445 17482 1819 1 4 . 1 1 6 6 ARG CB C 6 30.831 30.831 30.152 0.679 17482 1820 1 4 . 1 1 6 6 ARG H H 6 8.060 8.060 8.525 -0.465 17482 1821 1 4 . 1 1 7 7 LYS N N 7 121.076 121.076 117.444 3.632 17482 1822 1 4 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.416 -0.159 17482 1823 1 4 . 1 1 7 7 LYS C C 7 177.010 177.010 176.829 0.181 17482 1824 1 4 . 1 1 7 7 LYS CA C 7 56.920 56.920 55.699 1.222 17482 1825 1 4 . 1 1 7 7 LYS CB C 7 32.831 32.831 32.945 -0.114 17482 1826 1 4 . 1 1 7 7 LYS H H 7 8.181 8.181 8.138 0.043 17482 1827 1 4 . 1 1 8 8 GLY N N 8 108.196 108.196 108.305 -0.109 17482 1828 1 4 . 1 1 8 8 GLY C C 8 174.828 174.828 175.721 -0.893 17482 1829 1 4 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.674 -0.845 17482 1830 1 4 . 1 1 8 8 GLY H H 8 8.141 8.141 8.628 -0.487 17482 1831 1 4 . 1 1 9 9 PHE N N 9 120.374 120.374 122.178 -1.804 17482 1832 1 4 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.404 -0.012 17482 1833 1 4 . 1 1 9 9 PHE C C 9 176.898 176.898 177.255 -0.357 17482 1834 1 4 . 1 1 9 9 PHE CA C 9 59.980 59.980 57.885 2.095 17482 1835 1 4 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.017 0.537 17482 1836 1 4 . 1 1 9 9 PHE H H 9 8.072 8.072 8.196 -0.124 17482 1837 1 4 . 1 1 10 10 GLY N N 10 107.944 107.944 108.084 -0.140 17482 1838 1 4 . 1 1 10 10 GLY C C 10 175.441 175.441 175.730 -0.289 17482 1839 1 4 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.344 -0.522 17482 1840 1 4 . 1 1 10 10 GLY H H 10 8.431 8.431 8.539 -0.108 17482 1841 1 4 . 1 1 11 11 GLU N N 11 121.098 121.098 121.877 -0.779 17482 1842 1 4 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.986 0.114 17482 1843 1 4 . 1 1 11 11 GLU C C 11 175.234 175.234 179.215 -3.981 17482 1844 1 4 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.800 -0.829 17482 1845 1 4 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.601 0.297 17482 1846 1 4 . 1 1 11 11 GLU H H 11 8.003 8.003 8.050 -0.047 17482 1847 1 4 . 1 1 12 12 LYS N N 12 119.103 119.103 118.544 0.559 17482 1848 1 4 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.050 0.094 17482 1849 1 4 . 1 1 12 12 LYS C C 12 178.520 178.520 179.016 -0.496 17482 1850 1 4 . 1 1 12 12 LYS CA C 12 58.337 58.337 59.155 -0.818 17482 1851 1 4 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.315 0.079 17482 1852 1 4 . 1 1 12 12 LYS H H 12 7.930 7.930 7.416 0.514 17482 1853 1 4 . 1 1 13 13 ALA N N 13 121.534 121.534 122.602 -1.068 17482 1854 1 4 . 1 1 13 13 ALA HA H 13 4.011 4.011 4.092 -0.081 17482 1855 1 4 . 1 1 13 13 ALA C C 13 178.364 178.364 179.945 -1.581 17482 1856 1 4 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.352 -0.624 17482 1857 1 4 . 1 1 13 13 ALA CB C 13 18.460 18.460 18.016 0.444 17482 1858 1 4 . 1 1 13 13 ALA H H 13 8.216 8.216 8.684 -0.468 17482 1859 1 4 . 1 1 14 14 SER N N 14 111.263 111.263 112.482 -1.219 17482 1860 1 4 . 1 1 14 14 SER HA H 14 4.114 4.114 4.204 -0.090 17482 1861 1 4 . 1 1 14 14 SER C C 14 176.148 176.148 176.892 -0.744 17482 1862 1 4 . 1 1 14 14 SER CA C 14 61.159 61.159 61.214 -0.055 17482 1863 1 4 . 1 1 14 14 SER CB C 14 63.250 63.250 62.857 0.393 17482 1864 1 4 . 1 1 14 14 SER H H 14 8.000 8.000 8.220 -0.220 17482 1865 1 4 . 1 1 15 15 GLU N N 15 119.902 119.902 120.509 -0.607 17482 1866 1 4 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.169 -0.003 17482 1867 1 4 . 1 1 15 15 GLU C C 15 177.493 177.493 177.804 -0.311 17482 1868 1 4 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.656 -0.643 17482 1869 1 4 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.700 0.241 17482 1870 1 4 . 1 1 15 15 GLU H H 15 7.724 7.724 7.485 0.239 17482 1871 1 4 . 1 1 16 16 ALA N N 16 120.687 120.687 122.094 -1.407 17482 1872 1 4 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.075 0.186 17482 1873 1 4 . 1 1 16 16 ALA C C 16 177.933 177.933 179.280 -1.347 17482 1874 1 4 . 1 1 16 16 ALA CA C 16 53.775 53.775 55.066 -1.292 17482 1875 1 4 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.061 0.483 17482 1876 1 4 . 1 1 16 16 ALA H H 16 7.726 7.726 8.207 -0.481 17482 1877 1 4 . 1 1 17 17 LEU N N 17 116.559 116.559 115.720 0.839 17482 1878 1 4 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.250 0.109 17482 1879 1 4 . 1 1 17 17 LEU C C 17 176.277 176.277 177.864 -1.587 17482 1880 1 4 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.485 -1.551 17482 1881 1 4 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.864 0.701 17482 1882 1 4 . 1 1 17 17 LEU H H 17 7.634 7.634 7.622 0.012 17482 1883 1 4 . 1 1 18 18 LYS N N 18 120.269 120.269 121.361 -1.092 17482 1884 1 4 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.242 0.325 17482 1885 1 4 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.818 -1.329 17482 1886 1 4 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.221 0.299 17482 1887 1 4 . 1 1 18 18 LYS H H 18 7.761 7.761 7.599 0.162 17482 1888 1 4 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.464 -0.021 17482 1889 1 4 . 1 1 19 19 PRO C C 19 176.984 176.984 176.436 0.548 17482 1890 1 4 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.499 1.334 17482 1891 1 4 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.198 0.049 17482 1892 1 4 . 1 1 20 20 ASP N N 20 119.103 119.103 118.743 0.360 17482 1893 1 4 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.523 0.079 17482 1894 1 4 . 1 1 20 20 ASP C C 20 176.639 176.639 175.992 0.647 17482 1895 1 4 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.428 0.069 17482 1896 1 4 . 1 1 20 20 ASP CB C 20 41.231 41.231 40.920 0.311 17482 1897 1 4 . 1 1 20 20 ASP H H 20 8.383 8.383 8.349 0.034 17482 1898 1 4 . 1 1 21 21 SER N N 21 115.970 115.970 115.903 0.067 17482 1899 1 4 . 1 1 21 21 SER HA H 21 4.376 4.376 4.258 0.117 17482 1900 1 4 . 1 1 21 21 SER C C 21 174.889 174.889 174.151 0.738 17482 1901 1 4 . 1 1 21 21 SER CA C 21 59.093 59.093 59.617 -0.524 17482 1902 1 4 . 1 1 21 21 SER CB C 21 63.860 63.860 62.999 0.861 17482 1903 1 4 . 1 1 21 21 SER H H 21 8.054 8.054 8.366 -0.312 17482 1904 1 4 . 1 1 22 22 GLN N N 22 120.766 120.766 124.648 -3.882 17482 1905 1 4 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.496 -0.218 17482 1906 1 4 . 1 1 22 22 GLN C C 22 175.984 175.984 175.338 0.646 17482 1907 1 4 . 1 1 22 22 GLN CA C 22 56.739 56.739 54.532 2.207 17482 1908 1 4 . 1 1 22 22 GLN CB C 22 29.191 29.191 30.043 -0.852 17482 1909 1 4 . 1 1 22 22 GLN H H 22 8.452 8.452 8.314 0.138 17482 1910 1 4 . 1 1 23 23 LYS N N 23 120.410 120.410 122.320 -1.910 17482 1911 1 4 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.274 0.063 17482 1912 1 4 . 1 1 23 23 LYS C C 23 176.191 176.191 178.232 -2.041 17482 1913 1 4 . 1 1 23 23 LYS CA C 23 56.208 56.208 56.827 -0.619 17482 1914 1 4 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.739 0.997 17482 1915 1 4 . 1 1 23 23 LYS H H 23 7.935 7.935 8.338 -0.403 17482 1916 1 4 . 1 1 24 24 SER N N 24 117.302 117.302 122.842 -5.540 17482 1917 1 4 . 1 1 24 24 SER HA H 24 4.492 4.492 4.403 0.089 17482 1918 1 4 . 1 1 24 24 SER C C 24 175.717 175.717 176.406 -0.689 17482 1919 1 4 . 1 1 24 24 SER CA C 24 58.145 58.145 59.942 -1.797 17482 1920 1 4 . 1 1 24 24 SER CB C 24 63.815 63.815 63.417 0.398 17482 1921 1 4 . 1 1 24 24 SER H H 24 8.365 8.365 8.988 -0.623 17482 1922 1 4 . 1 1 25 25 TYR N N 25 121.904 121.904 121.868 0.036 17482 1923 1 4 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.353 0.029 17482 1924 1 4 . 1 1 25 25 TYR C C 25 177.752 177.752 177.250 0.502 17482 1925 1 4 . 1 1 25 25 TYR CA C 25 60.945 60.945 60.917 0.028 17482 1926 1 4 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.946 -0.125 17482 1927 1 4 . 1 1 25 25 TYR H H 25 8.205 8.205 8.424 -0.219 17482 1928 1 4 . 1 1 26 26 ALA N N 26 121.123 121.123 120.970 0.153 17482 1929 1 4 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.937 0.120 17482 1930 1 4 . 1 1 26 26 ALA C C 26 179.037 179.037 179.859 -0.822 17482 1931 1 4 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.392 0.145 17482 1932 1 4 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.050 0.424 17482 1933 1 4 . 1 1 26 26 ALA H H 26 8.233 8.233 7.828 0.405 17482 1934 1 4 . 1 1 27 27 GLU N N 27 117.313 117.313 118.258 -0.945 17482 1935 1 4 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.083 -0.066 17482 1936 1 4 . 1 1 27 27 GLU C C 27 179.166 179.166 178.966 0.200 17482 1937 1 4 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.173 0.305 17482 1938 1 4 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.700 0.166 17482 1939 1 4 . 1 1 27 27 GLU H H 27 7.922 7.922 7.912 0.011 17482 1940 1 4 . 1 1 28 28 GLN N N 28 118.602 118.602 118.894 -0.292 17482 1941 1 4 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.918 0.270 17482 1942 1 4 . 1 1 28 28 GLN C C 28 179.132 179.132 178.812 0.320 17482 1943 1 4 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.663 0.182 17482 1944 1 4 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.375 1.007 17482 1945 1 4 . 1 1 28 28 GLN H H 28 8.179 8.179 7.690 0.489 17482 1946 1 4 . 1 1 29 29 GLY N N 29 107.984 107.984 106.937 1.047 17482 1947 1 4 . 1 1 29 29 GLY C C 29 174.518 174.518 175.695 -1.177 17482 1948 1 4 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.697 0.889 17482 1949 1 4 . 1 1 29 29 GLY H H 29 8.804 8.804 8.538 0.266 17482 1950 1 4 . 1 1 30 30 LYS N N 30 121.339 121.339 122.137 -0.798 17482 1951 1 4 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.889 0.072 17482 1952 1 4 . 1 1 30 30 LYS C C 30 178.925 178.925 179.200 -0.275 17482 1953 1 4 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.186 0.214 17482 1954 1 4 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.248 0.179 17482 1955 1 4 . 1 1 30 30 LYS H H 30 8.406 8.406 7.466 0.940 17482 1956 1 4 . 1 1 31 31 GLU N N 31 119.880 119.880 118.210 1.670 17482 1957 1 4 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.069 -0.029 17482 1958 1 4 . 1 1 31 31 GLU C C 31 177.761 177.761 178.954 -1.193 17482 1959 1 4 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.407 0.124 17482 1960 1 4 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.569 -0.038 17482 1961 1 4 . 1 1 31 31 GLU H H 31 8.090 8.090 8.287 -0.197 17482 1962 1 4 . 1 1 32 32 TYR N N 32 119.786 119.786 121.018 -1.232 17482 1963 1 4 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.157 0.114 17482 1964 1 4 . 1 1 32 32 TYR C C 32 178.054 178.054 177.803 0.251 17482 1965 1 4 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.526 0.194 17482 1966 1 4 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.300 0.631 17482 1967 1 4 . 1 1 32 32 TYR H H 32 8.052 8.052 7.319 0.733 17482 1968 1 4 . 1 1 33 33 ILE N N 33 116.856 116.856 118.119 -1.263 17482 1969 1 4 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.679 0.113 17482 1970 1 4 . 1 1 33 33 ILE C C 33 177.519 177.519 178.054 -0.535 17482 1971 1 4 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.641 -1.622 17482 1972 1 4 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.815 0.296 17482 1973 1 4 . 1 1 33 33 ILE H H 33 8.249 8.249 7.924 0.325 17482 1974 1 4 . 1 1 34 34 THR N N 34 114.203 114.203 114.340 -0.137 17482 1975 1 4 . 1 1 34 34 THR HA H 34 3.934 3.934 3.796 0.138 17482 1976 1 4 . 1 1 34 34 THR C C 34 176.579 176.579 176.840 -0.261 17482 1977 1 4 . 1 1 34 34 THR CA C 34 66.459 66.459 66.559 -0.100 17482 1978 1 4 . 1 1 34 34 THR CB C 34 68.845 68.845 67.974 0.871 17482 1979 1 4 . 1 1 34 34 THR H H 34 8.254 8.254 7.940 0.314 17482 1980 1 4 . 1 1 35 35 ASP N N 35 121.116 121.116 121.656 -0.540 17482 1981 1 4 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.324 0.172 17482 1982 1 4 . 1 1 35 35 ASP C C 35 177.933 177.933 178.481 -0.548 17482 1983 1 4 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.517 -0.455 17482 1984 1 4 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.574 1.254 17482 1985 1 4 . 1 1 35 35 ASP H H 35 7.880 7.880 8.145 -0.265 17482 1986 1 4 . 1 1 36 36 LYS N N 36 116.457 116.457 118.986 -2.529 17482 1987 1 4 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.080 0.077 17482 1988 1 4 . 1 1 36 36 LYS C C 36 177.968 177.968 178.603 -0.635 17482 1989 1 4 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.691 -1.820 17482 1990 1 4 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.301 -0.388 17482 1991 1 4 . 1 1 36 36 LYS H H 36 7.677 7.677 7.627 0.050 17482 1992 1 4 . 1 1 37 37 ALA N N 37 121.588 121.588 121.909 -0.321 17482 1993 1 4 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.066 -0.061 17482 1994 1 4 . 1 1 37 37 ALA C C 37 178.795 178.795 179.930 -1.135 17482 1995 1 4 . 1 1 37 37 ALA CA C 37 55.331 55.331 55.074 0.257 17482 1996 1 4 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.027 0.447 17482 1997 1 4 . 1 1 37 37 ALA H H 37 8.296 8.296 8.311 -0.015 17482 1998 1 4 . 1 1 38 38 ASP N N 38 116.490 116.490 118.507 -2.017 17482 1999 1 4 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.491 -0.082 17482 2000 1 4 . 1 1 38 38 ASP C C 38 178.347 178.347 178.464 -0.117 17482 2001 1 4 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.267 -0.538 17482 2002 1 4 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.054 -0.006 17482 2003 1 4 . 1 1 38 38 ASP H H 38 8.046 8.046 7.731 0.315 17482 2004 1 4 . 1 1 39 39 LYS N N 39 118.627 118.627 120.812 -2.185 17482 2005 1 4 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.087 0.061 17482 2006 1 4 . 1 1 39 39 LYS C C 39 178.588 178.588 179.073 -0.485 17482 2007 1 4 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.579 -1.353 17482 2008 1 4 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.629 0.028 17482 2009 1 4 . 1 1 39 39 LYS H H 39 7.757 7.757 7.429 0.328 17482 2010 1 4 . 1 1 40 40 VAL N N 40 116.146 116.146 118.871 -2.725 17482 2011 1 4 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.702 0.207 17482 2012 1 4 . 1 1 40 40 VAL C C 40 176.683 176.683 177.102 -0.419 17482 2013 1 4 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.989 -1.581 17482 2014 1 4 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.879 0.455 17482 2015 1 4 . 1 1 40 40 VAL H H 40 7.792 7.792 8.274 -0.482 17482 2016 1 4 . 1 1 41 41 ALA N N 41 122.561 122.561 120.845 1.716 17482 2017 1 4 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.237 -0.114 17482 2018 1 4 . 1 1 41 41 ALA C C 41 179.106 179.106 179.776 -0.670 17482 2019 1 4 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.676 -0.147 17482 2020 1 4 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.335 0.266 17482 2021 1 4 . 1 1 41 41 ALA H H 41 8.094 8.094 7.483 0.611 17482 2022 1 4 . 1 1 42 42 GLY N N 42 105.072 105.072 107.103 -2.031 17482 2023 1 4 . 1 1 42 42 GLY C C 42 174.941 174.941 176.032 -1.091 17482 2024 1 4 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.458 -0.431 17482 2025 1 4 . 1 1 42 42 GLY H H 42 8.044 8.044 8.312 -0.268 17482 2026 1 4 . 1 1 43 43 LYS N N 43 119.123 119.123 119.469 -0.346 17482 2027 1 4 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.202 0.139 17482 2028 1 4 . 1 1 43 43 LYS C C 43 176.631 176.631 176.751 -0.120 17482 2029 1 4 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.669 0.129 17482 2030 1 4 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.804 0.592 17482 2031 1 4 . 1 1 43 43 LYS H H 43 7.834 7.834 8.250 -0.416 17482 2032 1 4 . 1 1 44 44 VAL N N 44 116.413 116.413 119.109 -2.696 17482 2033 1 4 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.186 -0.040 17482 2034 1 4 . 1 1 44 44 VAL C C 44 175.018 175.018 174.548 0.470 17482 2035 1 4 . 1 1 44 44 VAL CA C 44 62.331 62.331 60.935 1.396 17482 2036 1 4 . 1 1 44 44 VAL CB C 44 32.641 32.641 33.528 -0.887 17482 2037 1 4 . 1 1 44 44 VAL H H 44 7.650 7.650 7.096 0.554 17482 2038 1 4 . 1 1 45 45 GLN N N 45 122.078 122.078 126.913 -4.835 17482 2039 1 4 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.691 -0.032 17482 2040 1 4 . 1 1 45 45 GLN CA C 45 53.664 53.664 53.635 0.030 17482 2041 1 4 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.283 1.046 17482 2042 1 4 . 1 1 45 45 GLN H H 45 8.154 8.154 8.530 -0.376 17482 2043 1 4 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.586 -0.153 17482 2044 1 4 . 1 1 46 46 PRO C C 46 177.329 177.329 175.652 1.677 17482 2045 1 4 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.680 1.074 17482 2046 1 4 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.485 -0.254 17482 2047 1 4 . 1 1 47 47 GLU N N 47 119.456 119.456 118.000 1.456 17482 2048 1 4 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.554 -0.343 17482 2049 1 4 . 1 1 47 47 GLU C C 47 176.484 176.484 174.719 1.765 17482 2050 1 4 . 1 1 47 47 GLU CA C 47 57.468 57.468 55.730 1.738 17482 2051 1 4 . 1 1 47 47 GLU CB C 47 30.329 30.329 31.051 -0.722 17482 2052 1 4 . 1 1 47 47 GLU H H 47 8.491 8.491 8.728 -0.237 17482 2053 1 4 . 1 1 48 48 ASP N N 48 119.108 119.108 123.283 -4.175 17482 2054 1 4 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.642 -0.057 17482 2055 1 4 . 1 1 48 48 ASP C C 48 175.863 175.863 175.844 0.019 17482 2056 1 4 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.021 1.558 17482 2057 1 4 . 1 1 48 48 ASP CB C 48 41.131 41.131 40.792 0.339 17482 2058 1 4 . 1 1 48 48 ASP H H 48 8.137 8.137 8.139 -0.002 17482 2059 1 4 . 1 1 49 49 ASN N N 49 117.714 117.714 117.724 -0.010 17482 2060 1 4 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.397 0.268 17482 2061 1 4 . 1 1 49 49 ASN C C 49 174.975 174.975 174.791 0.184 17482 2062 1 4 . 1 1 49 49 ASN CA C 49 53.728 53.728 54.576 -0.848 17482 2063 1 4 . 1 1 49 49 ASN CB C 49 39.131 39.131 38.812 0.319 17482 2064 1 4 . 1 1 49 49 ASN H H 49 8.173 8.173 8.359 -0.186 17482 2065 1 4 . 1 1 50 50 LYS N N 50 120.215 120.215 116.335 3.880 17482 2066 1 4 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.071 0.237 17482 2067 1 4 . 1 1 50 50 LYS C C 50 176.950 176.950 175.205 1.745 17482 2068 1 4 . 1 1 50 50 LYS CA C 50 56.828 56.828 57.191 -0.363 17482 2069 1 4 . 1 1 50 50 LYS CB C 50 33.031 33.031 32.356 0.674 17482 2070 1 4 . 1 1 50 50 LYS H H 50 8.098 8.098 8.056 0.042 17482 2071 1 4 . 1 1 51 51 GLY N N 51 109.286 109.286 111.313 -2.027 17482 2072 1 4 . 1 1 51 51 GLY C C 51 175.251 175.251 174.332 0.919 17482 2073 1 4 . 1 1 51 51 GLY CA C 51 45.913 45.913 44.826 1.087 17482 2074 1 4 . 1 1 51 51 GLY H H 51 8.295 8.295 8.322 -0.027 17482 2075 1 4 . 1 1 52 52 VAL N N 52 119.528 119.528 125.449 -5.921 17482 2076 1 4 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.642 0.222 17482 2077 1 4 . 1 1 52 52 VAL C C 52 176.372 176.372 177.656 -1.284 17482 2078 1 4 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.884 -0.538 17482 2079 1 4 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.697 0.533 17482 2080 1 4 . 1 1 52 52 VAL H H 52 7.940 7.940 8.343 -0.403 17482 2081 1 4 . 1 1 53 53 PHE N N 53 118.265 118.265 119.661 -1.396 17482 2082 1 4 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.203 0.390 17482 2083 1 4 . 1 1 53 53 PHE C C 53 176.441 176.441 178.065 -1.624 17482 2084 1 4 . 1 1 53 53 PHE CA C 53 58.676 58.676 61.512 -2.836 17482 2085 1 4 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.459 0.176 17482 2086 1 4 . 1 1 53 53 PHE H H 53 8.046 8.046 8.432 -0.386 17482 2087 1 4 . 1 1 54 54 GLN N N 54 119.441 119.441 116.855 2.586 17482 2088 1 4 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.031 0.140 17482 2089 1 4 . 1 1 54 54 GLN C C 54 177.166 177.166 178.554 -1.388 17482 2090 1 4 . 1 1 54 54 GLN CA C 54 57.549 57.549 58.907 -1.358 17482 2091 1 4 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.611 0.888 17482 2092 1 4 . 1 1 54 54 GLN H H 54 7.978 7.978 8.048 -0.070 17482 2093 1 4 . 1 1 55 55 GLY N N 55 107.822 107.822 108.395 -0.573 17482 2094 1 4 . 1 1 55 55 GLY C C 55 175.294 175.294 175.863 -0.569 17482 2095 1 4 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.269 -0.081 17482 2096 1 4 . 1 1 55 55 GLY H H 55 8.120 8.120 7.882 0.238 17482 2097 1 4 . 1 1 56 56 VAL N N 56 119.174 119.174 122.541 -3.367 17482 2098 1 4 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.738 0.234 17482 2099 1 4 . 1 1 56 56 VAL C C 56 176.527 176.527 177.182 -0.655 17482 2100 1 4 . 1 1 56 56 VAL CA C 56 64.004 64.004 64.829 -0.825 17482 2101 1 4 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.243 0.949 17482 2102 1 4 . 1 1 56 56 VAL H H 56 7.774 7.774 8.336 -0.562 17482 2103 1 4 . 1 1 57 57 HIS N N 57 119.221 119.221 115.814 3.407 17482 2104 1 4 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.447 0.095 17482 2105 1 4 . 1 1 57 57 HIS CA C 57 56.973 56.973 59.028 -2.054 17482 2106 1 4 . 1 1 57 57 HIS CB C 57 29.608 29.608 29.956 -0.348 17482 2107 1 4 . 1 1 57 57 HIS H H 57 8.201 8.201 7.876 0.325 17482 2108 1 4 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.562 0.018 17482 2109 1 4 . 1 1 58 58 ASP C C 58 177.097 177.097 178.049 -0.952 17482 2110 1 4 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.575 -1.554 17482 2111 1 4 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.429 0.807 17482 2112 1 4 . 1 1 59 59 SER N N 59 116.347 116.347 115.710 0.637 17482 2113 1 4 . 1 1 59 59 SER HA H 59 4.372 4.372 4.115 0.257 17482 2114 1 4 . 1 1 59 59 SER C C 59 175.087 175.087 175.769 -0.682 17482 2115 1 4 . 1 1 59 59 SER CA C 59 59.207 59.207 61.081 -1.874 17482 2116 1 4 . 1 1 59 59 SER CB C 59 63.780 63.780 63.028 0.752 17482 2117 1 4 . 1 1 59 59 SER H H 59 8.134 8.134 8.159 -0.025 17482 2118 1 4 . 1 1 60 60 ALA N N 60 125.097 125.097 123.075 2.022 17482 2119 1 4 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.101 0.152 17482 2120 1 4 . 1 1 60 60 ALA C C 60 178.192 178.192 179.111 -0.919 17482 2121 1 4 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.379 -0.818 17482 2122 1 4 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.760 0.318 17482 2123 1 4 . 1 1 60 60 ALA H H 60 8.203 8.203 7.557 0.646 17482 2124 1 4 . 1 1 61 61 GLU N N 61 118.432 118.432 117.419 1.013 17482 2125 1 4 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.456 -0.256 17482 2126 1 4 . 1 1 61 61 GLU C C 61 177.036 177.036 176.925 0.111 17482 2127 1 4 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.060 0.164 17482 2128 1 4 . 1 1 61 61 GLU CB C 61 30.228 30.228 30.930 -0.702 17482 2129 1 4 . 1 1 61 61 GLU H H 61 8.095 8.095 7.957 0.138 17482 2130 1 4 . 1 1 62 62 LYS N N 62 120.770 120.770 115.981 4.789 17482 2131 1 4 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.431 -0.134 17482 2132 1 4 . 1 1 62 62 LYS C C 62 177.450 177.450 174.739 2.711 17482 2133 1 4 . 1 1 62 62 LYS CA C 62 56.826 56.826 56.224 0.602 17482 2134 1 4 . 1 1 62 62 LYS CB C 62 32.943 32.943 34.547 -1.604 17482 2135 1 4 . 1 1 62 62 LYS H H 62 7.969 7.969 7.819 0.150 17482 2136 1 4 . 1 1 63 63 GLY N N 63 108.912 108.912 109.066 -0.154 17482 2137 1 4 . 1 1 63 63 GLY C C 63 174.432 174.432 172.871 1.561 17482 2138 1 4 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.867 0.884 17482 2139 1 4 . 1 1 63 63 GLY H H 63 8.287 8.287 8.486 -0.199 17482 2140 1 4 . 1 1 64 64 LYS N N 64 120.529 120.529 123.089 -2.560 17482 2141 1 4 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.581 -0.283 17482 2142 1 4 . 1 1 64 64 LYS C C 64 176.622 176.622 174.074 2.548 17482 2143 1 4 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.613 0.118 17482 2144 1 4 . 1 1 64 64 LYS CB C 64 33.117 33.117 33.794 -0.677 17482 2145 1 4 . 1 1 64 64 LYS H H 64 8.019 8.019 7.964 0.055 17482 2146 1 4 . 1 1 65 65 ASP N N 65 120.673 120.673 123.192 -2.519 17482 2147 1 4 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.707 -0.127 17482 2148 1 4 . 1 1 65 65 ASP C C 65 176.226 176.226 174.892 1.334 17482 2149 1 4 . 1 1 65 65 ASP CA C 65 54.783 54.783 55.028 -0.245 17482 2150 1 4 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.212 -1.040 17482 2151 1 4 . 1 1 65 65 ASP H H 65 8.296 8.296 8.197 0.099 17482 2152 1 4 . 1 1 66 66 ASN N N 66 118.902 118.902 121.273 -2.371 17482 2153 1 4 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.629 0.061 17482 2154 1 4 . 1 1 66 66 ASN C C 66 175.217 175.217 173.609 1.608 17482 2155 1 4 . 1 1 66 66 ASN CA C 66 53.475 53.475 53.159 0.316 17482 2156 1 4 . 1 1 66 66 ASN CB C 66 39.117 39.117 38.849 0.268 17482 2157 1 4 . 1 1 66 66 ASN H H 66 8.212 8.212 8.501 -0.289 17482 2158 1 4 . 1 1 67 67 ALA N N 67 124.149 124.149 123.944 0.205 17482 2159 1 4 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.155 0.145 17482 2160 1 4 . 1 1 67 67 ALA C C 67 177.890 177.890 175.171 2.719 17482 2161 1 4 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.918 0.135 17482 2162 1 4 . 1 1 67 67 ALA CB C 67 19.427 19.427 19.221 0.206 17482 2163 1 4 . 1 1 67 67 ALA H H 67 8.212 8.212 8.074 0.138 17482 2164 1 4 . 1 1 68 68 GLU N N 68 119.216 119.216 119.121 0.095 17482 2165 1 4 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.405 -0.134 17482 2166 1 4 . 1 1 68 68 GLU C C 68 177.243 177.243 175.468 1.775 17482 2167 1 4 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.261 0.536 17482 2168 1 4 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.208 -0.049 17482 2169 1 4 . 1 1 68 68 GLU H H 68 8.286 8.286 8.262 0.024 17482 2170 1 4 . 1 1 69 69 GLY N N 69 109.637 109.637 109.514 0.123 17482 2171 1 4 . 1 1 69 69 GLY C C 69 174.371 174.371 174.447 -0.076 17482 2172 1 4 . 1 1 69 69 GLY CA C 69 45.634 45.634 44.985 0.649 17482 2173 1 4 . 1 1 69 69 GLY H H 69 8.293 8.293 8.487 -0.194 17482 2174 1 4 . 1 1 70 70 GLN N N 70 119.629 119.629 120.268 -0.639 17482 2175 1 4 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.311 0.082 17482 2176 1 4 . 1 1 70 70 GLN C C 70 176.502 176.502 176.896 -0.394 17482 2177 1 4 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.734 0.312 17482 2178 1 4 . 1 1 70 70 GLN CB C 70 29.627 29.627 29.412 0.215 17482 2179 1 4 . 1 1 70 70 GLN H H 70 8.201 8.201 8.106 0.095 17482 2180 1 4 . 1 1 71 71 GLY N N 71 109.977 109.977 111.171 -1.194 17482 2181 1 4 . 1 1 71 71 GLY C C 71 173.992 173.992 174.099 -0.107 17482 2182 1 4 . 1 1 71 71 GLY CA C 71 45.634 45.634 45.367 0.267 17482 2183 1 4 . 1 1 71 71 GLY H H 71 8.424 8.424 8.564 -0.140 17482 2184 1 4 . 1 1 72 72 GLU N N 72 120.532 120.532 121.648 -1.116 17482 2185 1 4 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.248 0.163 17482 2186 1 4 . 1 1 72 72 GLU C C 72 176.639 176.639 176.061 0.578 17482 2187 1 4 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.065 0.553 17482 2188 1 4 . 1 1 72 72 GLU CB C 72 30.731 30.731 29.758 0.973 17482 2189 1 4 . 1 1 72 72 GLU H H 72 8.244 8.244 8.126 0.118 17482 2190 1 4 . 1 1 73 73 SER N N 73 117.827 117.827 120.904 -3.077 17482 2191 1 4 . 1 1 73 73 SER HA H 73 4.589 4.589 4.376 0.213 17482 2192 1 4 . 1 1 73 73 SER C C 73 175.475 175.475 175.126 0.349 17482 2193 1 4 . 1 1 73 73 SER CA C 73 58.064 58.064 58.208 -0.144 17482 2194 1 4 . 1 1 73 73 SER CB C 73 64.761 64.761 63.109 1.652 17482 2195 1 4 . 1 1 73 73 SER H H 73 8.689 8.689 8.833 -0.144 17482 2196 1 4 . 1 1 74 74 LEU N N 74 124.414 124.414 128.970 -4.556 17482 2197 1 4 . 1 1 74 74 LEU HA H 74 4.201 4.201 3.998 0.203 17482 2198 1 4 . 1 1 74 74 LEU C C 74 178.735 178.735 177.939 0.796 17482 2199 1 4 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.633 0.262 17482 2200 1 4 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.857 0.077 17482 2201 1 4 . 1 1 74 74 LEU H H 74 8.514 8.514 8.345 0.169 17482 2202 1 4 . 1 1 75 75 ALA N N 75 120.291 120.291 120.058 0.233 17482 2203 1 4 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.979 0.011 17482 2204 1 4 . 1 1 75 75 ALA C C 75 179.046 179.046 180.101 -1.055 17482 2205 1 4 . 1 1 75 75 ALA CA C 75 55.267 55.267 55.152 0.115 17482 2206 1 4 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.723 0.871 17482 2207 1 4 . 1 1 75 75 ALA H H 75 8.160 8.160 8.248 -0.088 17482 2208 1 4 . 1 1 76 76 ASP N N 76 117.288 117.288 117.602 -0.314 17482 2209 1 4 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.488 -0.082 17482 2210 1 4 . 1 1 76 76 ASP C C 76 178.476 178.476 178.466 0.010 17482 2211 1 4 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.887 0.246 17482 2212 1 4 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.234 -0.582 17482 2213 1 4 . 1 1 76 76 ASP H H 76 7.773 7.773 7.961 -0.188 17482 2214 1 4 . 1 1 77 77 GLN N N 77 119.454 119.454 119.576 -0.122 17482 2215 1 4 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.202 -0.040 17482 2216 1 4 . 1 1 77 77 GLN C C 77 178.037 178.037 177.859 0.178 17482 2217 1 4 . 1 1 77 77 GLN CA C 77 58.381 58.381 57.966 0.415 17482 2218 1 4 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.287 1.193 17482 2219 1 4 . 1 1 77 77 GLN H H 77 7.994 7.994 7.444 0.550 17482 2220 1 4 . 1 1 78 78 ALA N N 78 121.577 121.577 123.815 -2.238 17482 2221 1 4 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.179 -0.030 17482 2222 1 4 . 1 1 78 78 ALA C C 78 178.977 178.977 179.730 -0.753 17482 2223 1 4 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.236 -0.105 17482 2224 1 4 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.225 0.430 17482 2225 1 4 . 1 1 78 78 ALA H H 78 8.498 8.498 8.479 0.019 17482 2226 1 4 . 1 1 79 79 ARG N N 79 117.138 117.138 118.114 -0.976 17482 2227 1 4 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.060 -0.048 17482 2228 1 4 . 1 1 79 79 ARG C C 79 175.449 175.449 178.835 -3.386 17482 2229 1 4 . 1 1 79 79 ARG CA C 79 59.503 59.503 58.792 0.711 17482 2230 1 4 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.766 0.380 17482 2231 1 4 . 1 1 79 79 ARG H H 79 8.101 8.101 7.766 0.335 17482 2232 1 4 . 1 1 80 80 ASP N N 80 120.784 120.784 119.786 0.998 17482 2233 1 4 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.516 -0.003 17482 2234 1 4 . 1 1 80 80 ASP C C 80 178.882 178.882 178.530 0.352 17482 2235 1 4 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.309 -0.433 17482 2236 1 4 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.048 -0.720 17482 2237 1 4 . 1 1 80 80 ASP H H 80 8.000 8.000 7.699 0.301 17482 2238 1 4 . 1 1 81 81 TYR N N 81 120.298 120.298 120.943 -0.645 17482 2239 1 4 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.344 0.087 17482 2240 1 4 . 1 1 81 81 TYR C C 81 177.855 177.855 177.530 0.325 17482 2241 1 4 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.380 0.454 17482 2242 1 4 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.752 -0.274 17482 2243 1 4 . 1 1 81 81 TYR H H 81 8.127 8.127 7.757 0.370 17482 2244 1 4 . 1 1 82 82 MET N N 82 118.452 118.452 117.772 0.680 17482 2245 1 4 . 1 1 82 82 MET HA H 82 4.239 4.239 3.960 0.279 17482 2246 1 4 . 1 1 82 82 MET C C 82 178.175 178.175 178.810 -0.635 17482 2247 1 4 . 1 1 82 82 MET CA C 82 58.757 58.757 58.357 0.400 17482 2248 1 4 . 1 1 82 82 MET CB C 82 32.631 32.631 32.044 0.587 17482 2249 1 4 . 1 1 82 82 MET H H 82 8.382 8.382 8.731 -0.349 17482 2250 1 4 . 1 1 83 83 GLY N N 83 106.740 106.740 105.530 1.210 17482 2251 1 4 . 1 1 83 83 GLY C C 83 176.717 176.717 175.174 1.543 17482 2252 1 4 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.188 0.143 17482 2253 1 4 . 1 1 83 83 GLY H H 83 8.308 8.308 8.002 0.306 17482 2254 1 4 . 1 1 84 84 ALA N N 84 125.357 125.357 123.771 1.586 17482 2255 1 4 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.139 0.148 17482 2256 1 4 . 1 1 84 84 ALA C C 84 180.149 180.149 179.266 0.883 17482 2257 1 4 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.810 -0.162 17482 2258 1 4 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.289 0.252 17482 2259 1 4 . 1 1 84 84 ALA H H 84 7.905 7.905 7.539 0.366 17482 2260 1 4 . 1 1 85 85 ALA N N 85 121.332 121.332 120.777 0.555 17482 2261 1 4 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.982 0.043 17482 2262 1 4 . 1 1 85 85 ALA C C 85 178.847 178.847 179.834 -0.987 17482 2263 1 4 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.883 0.400 17482 2264 1 4 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.025 0.462 17482 2265 1 4 . 1 1 85 85 ALA H H 85 8.341 8.341 7.551 0.790 17482 2266 1 4 . 1 1 86 86 LYS N N 86 116.980 116.980 119.027 -2.047 17482 2267 1 4 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.965 -0.093 17482 2268 1 4 . 1 1 86 86 LYS C C 86 178.485 178.485 178.962 -0.477 17482 2269 1 4 . 1 1 86 86 LYS CA C 86 60.193 60.193 58.885 1.308 17482 2270 1 4 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.701 0.631 17482 2271 1 4 . 1 1 86 86 LYS H H 86 8.360 8.360 7.582 0.778 17482 2272 1 4 . 1 1 87 87 SER N N 87 113.632 113.632 114.994 -1.362 17482 2273 1 4 . 1 1 87 87 SER HA H 87 4.299 4.299 4.087 0.212 17482 2274 1 4 . 1 1 87 87 SER C C 87 176.467 176.467 176.619 -0.152 17482 2275 1 4 . 1 1 87 87 SER CA C 87 61.614 61.614 62.081 -0.467 17482 2276 1 4 . 1 1 87 87 SER CB C 87 63.064 63.064 62.995 0.069 17482 2277 1 4 . 1 1 87 87 SER H H 87 7.863 7.863 7.816 0.047 17482 2278 1 4 . 1 1 88 88 LYS N N 88 120.925 120.925 121.280 -0.355 17482 2279 1 4 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.031 0.314 17482 2280 1 4 . 1 1 88 88 LYS C C 88 178.502 178.502 178.915 -0.413 17482 2281 1 4 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.637 -0.941 17482 2282 1 4 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.230 -0.219 17482 2283 1 4 . 1 1 88 88 LYS H H 88 7.843 7.843 7.733 0.110 17482 2284 1 4 . 1 1 89 89 LEU N N 89 119.955 119.955 120.933 -0.978 17482 2285 1 4 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.908 0.197 17482 2286 1 4 . 1 1 89 89 LEU C C 89 178.209 178.209 178.392 -0.183 17482 2287 1 4 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.997 0.200 17482 2288 1 4 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.666 -0.035 17482 2289 1 4 . 1 1 89 89 LEU H H 89 8.174 8.174 8.408 -0.234 17482 2290 1 4 . 1 1 90 90 ASN N N 90 117.013 117.013 116.552 0.461 17482 2291 1 4 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.361 0.032 17482 2292 1 4 . 1 1 90 90 ASN C C 90 174.164 174.164 177.492 -3.328 17482 2293 1 4 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.666 0.500 17482 2294 1 4 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.311 0.641 17482 2295 1 4 . 1 1 90 90 ASN H H 90 8.223 8.223 8.240 -0.017 17482 2296 1 4 . 1 1 91 91 ASP N N 91 119.959 119.959 118.849 1.110 17482 2297 1 4 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.451 0.006 17482 2298 1 4 . 1 1 91 91 ASP C C 91 178.804 178.804 177.389 1.415 17482 2299 1 4 . 1 1 91 91 ASP CA C 91 57.438 57.438 56.797 0.641 17482 2300 1 4 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.665 -0.486 17482 2301 1 4 . 1 1 91 91 ASP H H 91 8.043 8.043 7.455 0.588 17482 2302 1 4 . 1 1 92 92 ALA N N 92 123.900 123.900 122.408 1.492 17482 2303 1 4 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.256 -0.053 17482 2304 1 4 . 1 1 92 92 ALA C C 92 178.951 178.951 179.572 -0.621 17482 2305 1 4 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.997 0.540 17482 2306 1 4 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.706 -0.202 17482 2307 1 4 . 1 1 92 92 ALA H H 92 8.256 8.256 7.581 0.675 17482 2308 1 4 . 1 1 93 93 VAL N N 93 118.228 118.228 119.881 -1.653 17482 2309 1 4 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.498 0.096 17482 2310 1 4 . 1 1 93 93 VAL C C 93 178.761 178.761 177.997 0.764 17482 2311 1 4 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.689 -0.532 17482 2312 1 4 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.140 0.655 17482 2313 1 4 . 1 1 93 93 VAL H H 93 8.449 8.449 8.607 -0.158 17482 2314 1 4 . 1 1 94 94 GLU N N 94 120.485 120.485 119.345 1.140 17482 2315 1 4 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.945 0.100 17482 2316 1 4 . 1 1 94 94 GLU C C 94 179.347 179.347 179.339 0.008 17482 2317 1 4 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.044 -0.413 17482 2318 1 4 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.619 -0.088 17482 2319 1 4 . 1 1 94 94 GLU H H 94 8.175 8.175 7.873 0.302 17482 2320 1 4 . 1 1 95 95 TYR N N 95 120.806 120.806 119.570 1.236 17482 2321 1 4 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.287 -0.059 17482 2322 1 4 . 1 1 95 95 TYR C C 95 178.407 178.407 177.574 0.833 17482 2323 1 4 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.177 0.384 17482 2324 1 4 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.547 0.084 17482 2325 1 4 . 1 1 95 95 TYR H H 95 8.197 8.197 7.392 0.805 17482 2326 1 4 . 1 1 96 96 VAL N N 96 118.584 118.584 119.781 -1.197 17482 2327 1 4 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.611 -0.128 17482 2328 1 4 . 1 1 96 96 VAL C C 96 177.752 177.752 178.019 -0.267 17482 2329 1 4 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.197 -0.517 17482 2330 1 4 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.514 0.508 17482 2331 1 4 . 1 1 96 96 VAL H H 96 8.525 8.525 8.520 0.005 17482 2332 1 4 . 1 1 97 97 SER N N 97 114.566 114.566 114.628 -0.062 17482 2333 1 4 . 1 1 97 97 SER HA H 97 4.080 4.080 4.100 -0.020 17482 2334 1 4 . 1 1 97 97 SER C C 97 176.803 176.803 176.538 0.265 17482 2335 1 4 . 1 1 97 97 SER CA C 97 61.800 61.800 62.013 -0.213 17482 2336 1 4 . 1 1 97 97 SER CB C 97 63.258 63.258 62.863 0.395 17482 2337 1 4 . 1 1 97 97 SER H H 97 8.642 8.642 8.742 -0.100 17482 2338 1 4 . 1 1 98 98 GLY N N 98 107.586 107.586 106.774 0.812 17482 2339 1 4 . 1 1 98 98 GLY C C 98 175.553 175.553 175.032 0.521 17482 2340 1 4 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.730 0.826 17482 2341 1 4 . 1 1 98 98 GLY H H 98 7.926 7.926 7.642 0.284 17482 2342 1 4 . 1 1 99 99 ARG N N 99 119.948 119.948 119.072 0.876 17482 2343 1 4 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.263 -0.060 17482 2344 1 4 . 1 1 99 99 ARG C C 99 177.830 177.830 177.963 -0.133 17482 2345 1 4 . 1 1 99 99 ARG CA C 99 57.129 57.129 56.797 0.332 17482 2346 1 4 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.541 -0.329 17482 2347 1 4 . 1 1 99 99 ARG H H 99 7.611 7.611 7.445 0.166 17482 2348 1 4 . 1 1 100 100 VAL N N 100 116.709 116.709 119.150 -2.441 17482 2349 1 4 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.759 0.181 17482 2350 1 4 . 1 1 100 100 VAL C C 100 176.381 176.381 175.851 0.530 17482 2351 1 4 . 1 1 100 100 VAL CA C 100 63.931 63.931 64.831 -0.900 17482 2352 1 4 . 1 1 100 100 VAL CB C 100 32.331 32.331 32.397 -0.066 17482 2353 1 4 . 1 1 100 100 VAL H H 100 7.906 7.906 8.172 -0.266 17482 2354 1 4 . 1 1 101 101 HIS N N 101 117.584 117.584 116.458 1.126 17482 2355 1 4 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.222 0.553 17482 2356 1 4 . 1 1 101 101 HIS C C 101 175.484 175.484 174.424 1.060 17482 2357 1 4 . 1 1 101 101 HIS CA C 101 55.862 55.862 57.331 -1.469 17482 2358 1 4 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.320 0.197 17482 2359 1 4 . 1 1 101 101 HIS H H 101 8.061 8.061 7.751 0.310 17482 2360 1 4 . 1 1 102 102 GLY N N 102 109.164 109.164 113.595 -4.431 17482 2361 1 4 . 1 1 102 102 GLY C C 102 174.121 174.121 172.938 1.183 17482 2362 1 4 . 1 1 102 102 GLY CA C 102 45.719 45.719 44.842 0.877 17482 2363 1 4 . 1 1 102 102 GLY H H 102 7.990 7.990 8.037 -0.047 17482 2364 1 4 . 1 1 103 103 GLU N N 103 120.493 120.493 122.639 -2.146 17482 2365 1 4 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.542 -0.227 17482 2366 1 4 . 1 1 103 103 GLU C C 103 176.467 176.467 175.296 1.171 17482 2367 1 4 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.716 0.735 17482 2368 1 4 . 1 1 103 103 GLU CB C 103 30.731 30.731 30.608 0.123 17482 2369 1 4 . 1 1 103 103 GLU H H 103 8.320 8.320 8.398 -0.078 17482 2370 1 4 . 1 1 104 104 GLU N N 104 122.018 122.018 123.378 -1.360 17482 2371 1 4 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.401 -0.138 17482 2372 1 4 . 1 1 104 104 GLU C C 104 175.820 175.820 175.783 0.037 17482 2373 1 4 . 1 1 104 104 GLU CA C 104 56.480 56.480 55.964 0.516 17482 2374 1 4 . 1 1 104 104 GLU CB C 104 30.654 30.654 30.558 0.096 17482 2375 1 4 . 1 1 104 104 GLU H H 104 8.358 8.358 8.390 -0.032 17482 2376 1 4 . 1 1 105 105 ASP N N 105 122.625 122.625 119.760 2.865 17482 2377 1 4 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.939 -0.041 17482 2378 1 4 . 1 1 105 105 ASP CA C 105 51.728 51.728 52.803 -1.075 17482 2379 1 4 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.706 -0.092 17482 2380 1 4 . 1 1 105 105 ASP H H 105 8.350 8.350 8.275 0.075 17482 2381 1 4 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.787 -0.321 17482 2382 1 4 . 1 1 106 106 PRO C C 106 177.605 177.605 175.864 1.741 17482 2383 1 4 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.020 0.901 17482 2384 1 4 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.578 -0.281 17482 2385 1 4 . 1 1 107 107 THR N N 107 111.954 111.954 113.984 -2.030 17482 2386 1 4 . 1 1 107 107 THR HA H 107 4.281 4.281 4.507 -0.226 17482 2387 1 4 . 1 1 107 107 THR C C 107 174.889 174.889 174.484 0.405 17482 2388 1 4 . 1 1 107 107 THR CA C 107 62.896 62.896 61.157 1.739 17482 2389 1 4 . 1 1 107 107 THR CB C 107 69.593 69.593 70.903 -1.310 17482 2390 1 4 . 1 1 107 107 THR H H 107 8.355 8.355 7.868 0.487 17482 2391 1 4 . 1 1 108 108 LYS N N 108 123.177 123.177 120.925 2.252 17482 2392 1 4 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.394 -0.039 17482 2393 1 4 . 1 1 108 108 LYS C C 108 175.406 175.406 176.988 -1.582 17482 2394 1 4 . 1 1 108 108 LYS CA C 108 56.252 56.252 57.381 -1.129 17482 2395 1 4 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.103 -0.139 17482 2396 1 4 . 1 1 108 108 LYS H H 108 7.739 7.739 8.483 -0.744 17482 2397 1 5 . 1 1 2 2 SER HA H 2 4.546 4.546 4.850 -0.304 17482 2398 1 5 . 1 1 2 2 SER CA C 2 58.499 58.499 58.000 0.499 17482 2399 1 5 . 1 1 2 2 SER CB C 2 64.011 64.011 65.314 -1.304 17482 2400 1 5 . 1 1 3 3 ASP HA H 3 4.602 4.602 5.168 -0.566 17482 2401 1 5 . 1 1 3 3 ASP C C 3 176.010 176.010 174.576 1.434 17482 2402 1 5 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.227 0.509 17482 2403 1 5 . 1 1 3 3 ASP CB C 3 41.269 41.269 43.217 -1.948 17482 2404 1 5 . 1 1 4 4 ALA N N 4 123.253 123.253 124.143 -0.890 17482 2405 1 5 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.481 -0.155 17482 2406 1 5 . 1 1 4 4 ALA C C 4 178.097 178.097 176.248 1.849 17482 2407 1 5 . 1 1 4 4 ALA CA C 4 52.847 52.847 51.839 1.008 17482 2408 1 5 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.285 -0.962 17482 2409 1 5 . 1 1 4 4 ALA H H 4 8.095 8.095 8.248 -0.153 17482 2410 1 5 . 1 1 5 5 GLY N N 5 107.651 107.651 107.441 0.210 17482 2411 1 5 . 1 1 5 5 GLY C C 5 174.828 174.828 174.787 0.041 17482 2412 1 5 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.997 0.451 17482 2413 1 5 . 1 1 5 5 GLY H H 5 8.167 8.167 8.402 -0.235 17482 2414 1 5 . 1 1 6 6 ARG N N 6 120.230 120.230 122.868 -2.638 17482 2415 1 5 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.382 -0.033 17482 2416 1 5 . 1 1 6 6 ARG C C 6 176.562 176.562 175.632 0.930 17482 2417 1 5 . 1 1 6 6 ARG CA C 6 56.399 56.399 55.766 0.633 17482 2418 1 5 . 1 1 6 6 ARG CB C 6 30.831 30.831 31.317 -0.486 17482 2419 1 5 . 1 1 6 6 ARG H H 6 8.060 8.060 8.653 -0.593 17482 2420 1 5 . 1 1 7 7 LYS N N 7 121.076 121.076 117.717 3.359 17482 2421 1 5 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.064 0.193 17482 2422 1 5 . 1 1 7 7 LYS C C 7 177.010 177.010 177.220 -0.210 17482 2423 1 5 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.755 0.165 17482 2424 1 5 . 1 1 7 7 LYS CB C 7 32.831 32.831 32.593 0.238 17482 2425 1 5 . 1 1 7 7 LYS H H 7 8.181 8.181 7.747 0.433 17482 2426 1 5 . 1 1 8 8 GLY N N 8 108.196 108.196 107.587 0.609 17482 2427 1 5 . 1 1 8 8 GLY C C 8 174.828 174.828 175.621 -0.793 17482 2428 1 5 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.422 -0.593 17482 2429 1 5 . 1 1 8 8 GLY H H 8 8.141 8.141 8.424 -0.283 17482 2430 1 5 . 1 1 9 9 PHE N N 9 120.374 120.374 123.164 -2.790 17482 2431 1 5 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.661 -0.269 17482 2432 1 5 . 1 1 9 9 PHE C C 9 176.898 176.898 177.021 -0.123 17482 2433 1 5 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.729 1.251 17482 2434 1 5 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.207 0.346 17482 2435 1 5 . 1 1 9 9 PHE H H 9 8.072 8.072 8.347 -0.275 17482 2436 1 5 . 1 1 10 10 GLY N N 10 107.944 107.944 107.917 0.027 17482 2437 1 5 . 1 1 10 10 GLY C C 10 175.441 175.441 175.885 -0.444 17482 2438 1 5 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.491 -0.669 17482 2439 1 5 . 1 1 10 10 GLY H H 10 8.431 8.431 7.995 0.436 17482 2440 1 5 . 1 1 11 11 GLU N N 11 121.098 121.098 121.838 -0.740 17482 2441 1 5 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.033 0.067 17482 2442 1 5 . 1 1 11 11 GLU C C 11 175.234 175.234 179.392 -4.158 17482 2443 1 5 . 1 1 11 11 GLU CA C 11 58.971 58.971 60.088 -1.117 17482 2444 1 5 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.520 0.378 17482 2445 1 5 . 1 1 11 11 GLU H H 11 8.003 8.003 8.615 -0.612 17482 2446 1 5 . 1 1 12 12 LYS N N 12 119.103 119.103 118.214 0.889 17482 2447 1 5 . 1 1 12 12 LYS HA H 12 4.144 4.144 3.966 0.178 17482 2448 1 5 . 1 1 12 12 LYS C C 12 178.520 178.520 178.855 -0.335 17482 2449 1 5 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.292 0.045 17482 2450 1 5 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.578 0.816 17482 2451 1 5 . 1 1 12 12 LYS H H 12 7.930 7.930 7.470 0.461 17482 2452 1 5 . 1 1 13 13 ALA N N 13 121.534 121.534 122.322 -0.788 17482 2453 1 5 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.901 0.110 17482 2454 1 5 . 1 1 13 13 ALA C C 13 178.364 178.364 179.978 -1.614 17482 2455 1 5 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.150 -0.422 17482 2456 1 5 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.913 0.547 17482 2457 1 5 . 1 1 13 13 ALA H H 13 8.216 8.216 8.386 -0.170 17482 2458 1 5 . 1 1 14 14 SER N N 14 111.263 111.263 112.618 -1.355 17482 2459 1 5 . 1 1 14 14 SER HA H 14 4.114 4.114 4.138 -0.024 17482 2460 1 5 . 1 1 14 14 SER C C 14 176.148 176.148 176.874 -0.726 17482 2461 1 5 . 1 1 14 14 SER CA C 14 61.159 61.159 62.312 -1.153 17482 2462 1 5 . 1 1 14 14 SER CB C 14 63.250 63.250 63.066 0.185 17482 2463 1 5 . 1 1 14 14 SER H H 14 8.000 8.000 8.151 -0.151 17482 2464 1 5 . 1 1 15 15 GLU N N 15 119.902 119.902 120.079 -0.177 17482 2465 1 5 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.098 0.068 17482 2466 1 5 . 1 1 15 15 GLU C C 15 177.493 177.493 177.770 -0.277 17482 2467 1 5 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.753 -0.740 17482 2468 1 5 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.567 0.374 17482 2469 1 5 . 1 1 15 15 GLU H H 15 7.724 7.724 7.387 0.337 17482 2470 1 5 . 1 1 16 16 ALA N N 16 120.687 120.687 122.406 -1.719 17482 2471 1 5 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.010 0.251 17482 2472 1 5 . 1 1 16 16 ALA C C 16 177.933 177.933 179.171 -1.238 17482 2473 1 5 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.986 -1.211 17482 2474 1 5 . 1 1 16 16 ALA CB C 16 19.544 19.544 18.949 0.595 17482 2475 1 5 . 1 1 16 16 ALA H H 16 7.726 7.726 8.093 -0.367 17482 2476 1 5 . 1 1 17 17 LEU N N 17 116.559 116.559 116.210 0.349 17482 2477 1 5 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.139 0.220 17482 2478 1 5 . 1 1 17 17 LEU C C 17 176.277 176.277 177.638 -1.361 17482 2479 1 5 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.982 -2.048 17482 2480 1 5 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.566 0.999 17482 2481 1 5 . 1 1 17 17 LEU H H 17 7.634 7.634 7.533 0.101 17482 2482 1 5 . 1 1 18 18 LYS N N 18 120.269 120.269 119.477 0.792 17482 2483 1 5 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.354 0.213 17482 2484 1 5 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.478 -0.989 17482 2485 1 5 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.490 0.030 17482 2486 1 5 . 1 1 18 18 LYS H H 18 7.761 7.761 7.533 0.228 17482 2487 1 5 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.385 0.058 17482 2488 1 5 . 1 1 19 19 PRO C C 19 176.984 176.984 175.687 1.297 17482 2489 1 5 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.985 0.848 17482 2490 1 5 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.378 -0.131 17482 2491 1 5 . 1 1 20 20 ASP N N 20 119.103 119.103 117.443 1.660 17482 2492 1 5 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.738 -0.136 17482 2493 1 5 . 1 1 20 20 ASP C C 20 176.639 176.639 175.656 0.983 17482 2494 1 5 . 1 1 20 20 ASP CA C 20 54.497 54.497 52.713 1.784 17482 2495 1 5 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.425 -0.195 17482 2496 1 5 . 1 1 20 20 ASP H H 20 8.383 8.383 8.348 0.035 17482 2497 1 5 . 1 1 21 21 SER N N 21 115.970 115.970 115.297 0.673 17482 2498 1 5 . 1 1 21 21 SER HA H 21 4.376 4.376 4.395 -0.019 17482 2499 1 5 . 1 1 21 21 SER C C 21 174.889 174.889 174.715 0.174 17482 2500 1 5 . 1 1 21 21 SER CA C 21 59.093 59.093 59.568 -0.475 17482 2501 1 5 . 1 1 21 21 SER CB C 21 63.860 63.860 63.547 0.313 17482 2502 1 5 . 1 1 21 21 SER H H 21 8.054 8.054 8.394 -0.340 17482 2503 1 5 . 1 1 22 22 GLN N N 22 120.766 120.766 125.665 -4.899 17482 2504 1 5 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.380 -0.102 17482 2505 1 5 . 1 1 22 22 GLN C C 22 175.984 175.984 175.264 0.720 17482 2506 1 5 . 1 1 22 22 GLN CA C 22 56.739 56.739 55.991 0.748 17482 2507 1 5 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.296 -0.105 17482 2508 1 5 . 1 1 22 22 GLN H H 22 8.452 8.452 8.627 -0.175 17482 2509 1 5 . 1 1 23 23 LYS N N 23 120.410 120.410 119.297 1.113 17482 2510 1 5 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.061 0.276 17482 2511 1 5 . 1 1 23 23 LYS C C 23 176.191 176.191 175.373 0.818 17482 2512 1 5 . 1 1 23 23 LYS CA C 23 56.208 56.208 57.074 -0.866 17482 2513 1 5 . 1 1 23 23 LYS CB C 23 33.736 33.736 30.621 3.115 17482 2514 1 5 . 1 1 23 23 LYS H H 23 7.935 7.935 8.425 -0.490 17482 2515 1 5 . 1 1 24 24 SER N N 24 117.302 117.302 112.173 5.129 17482 2516 1 5 . 1 1 24 24 SER HA H 24 4.492 4.492 4.509 -0.017 17482 2517 1 5 . 1 1 24 24 SER C C 24 175.717 175.717 174.307 1.410 17482 2518 1 5 . 1 1 24 24 SER CA C 24 58.145 58.145 57.559 0.586 17482 2519 1 5 . 1 1 24 24 SER CB C 24 63.815 63.815 63.477 0.338 17482 2520 1 5 . 1 1 24 24 SER H H 24 8.365 8.365 7.780 0.585 17482 2521 1 5 . 1 1 25 25 TYR N N 25 121.904 121.904 124.020 -2.116 17482 2522 1 5 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.178 0.204 17482 2523 1 5 . 1 1 25 25 TYR C C 25 177.752 177.752 177.047 0.705 17482 2524 1 5 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.581 -0.636 17482 2525 1 5 . 1 1 25 25 TYR CB C 25 37.821 37.821 38.040 -0.219 17482 2526 1 5 . 1 1 25 25 TYR H H 25 8.205 8.205 8.726 -0.521 17482 2527 1 5 . 1 1 26 26 ALA N N 26 121.123 121.123 120.786 0.337 17482 2528 1 5 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.931 0.126 17482 2529 1 5 . 1 1 26 26 ALA C C 26 179.037 179.037 180.020 -0.983 17482 2530 1 5 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.403 0.134 17482 2531 1 5 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.006 0.469 17482 2532 1 5 . 1 1 26 26 ALA H H 26 8.233 8.233 7.913 0.320 17482 2533 1 5 . 1 1 27 27 GLU N N 27 117.313 117.313 118.113 -0.800 17482 2534 1 5 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.093 -0.076 17482 2535 1 5 . 1 1 27 27 GLU C C 27 179.166 179.166 179.062 0.104 17482 2536 1 5 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.430 0.048 17482 2537 1 5 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.751 0.115 17482 2538 1 5 . 1 1 27 27 GLU H H 27 7.922 7.922 7.926 -0.004 17482 2539 1 5 . 1 1 28 28 GLN N N 28 118.602 118.602 119.111 -0.509 17482 2540 1 5 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.955 0.233 17482 2541 1 5 . 1 1 28 28 GLN C C 28 179.132 179.132 178.754 0.378 17482 2542 1 5 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.704 0.141 17482 2543 1 5 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.434 0.948 17482 2544 1 5 . 1 1 28 28 GLN H H 28 8.179 8.179 7.913 0.266 17482 2545 1 5 . 1 1 29 29 GLY N N 29 107.984 107.984 106.888 1.096 17482 2546 1 5 . 1 1 29 29 GLY C C 29 174.518 174.518 175.680 -1.162 17482 2547 1 5 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.660 0.926 17482 2548 1 5 . 1 1 29 29 GLY H H 29 8.804 8.804 8.455 0.349 17482 2549 1 5 . 1 1 30 30 LYS N N 30 121.339 121.339 122.123 -0.784 17482 2550 1 5 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.876 0.085 17482 2551 1 5 . 1 1 30 30 LYS C C 30 178.925 178.925 179.216 -0.291 17482 2552 1 5 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.188 0.212 17482 2553 1 5 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.239 0.188 17482 2554 1 5 . 1 1 30 30 LYS H H 30 8.406 8.406 7.448 0.958 17482 2555 1 5 . 1 1 31 31 GLU N N 31 119.880 119.880 117.777 2.103 17482 2556 1 5 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.024 0.016 17482 2557 1 5 . 1 1 31 31 GLU C C 31 177.761 177.761 178.788 -1.027 17482 2558 1 5 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.096 0.435 17482 2559 1 5 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.412 0.119 17482 2560 1 5 . 1 1 31 31 GLU H H 31 8.090 8.090 8.178 -0.088 17482 2561 1 5 . 1 1 32 32 TYR N N 32 119.786 119.786 121.290 -1.504 17482 2562 1 5 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.164 0.107 17482 2563 1 5 . 1 1 32 32 TYR C C 32 178.054 178.054 177.914 0.140 17482 2564 1 5 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.815 -0.095 17482 2565 1 5 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.529 0.402 17482 2566 1 5 . 1 1 32 32 TYR H H 32 8.052 8.052 7.753 0.299 17482 2567 1 5 . 1 1 33 33 ILE N N 33 116.856 116.856 117.925 -1.069 17482 2568 1 5 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.657 0.135 17482 2569 1 5 . 1 1 33 33 ILE C C 33 177.519 177.519 178.007 -0.488 17482 2570 1 5 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.034 -1.015 17482 2571 1 5 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.593 0.518 17482 2572 1 5 . 1 1 33 33 ILE H H 33 8.249 8.249 8.173 0.076 17482 2573 1 5 . 1 1 34 34 THR N N 34 114.203 114.203 115.872 -1.669 17482 2574 1 5 . 1 1 34 34 THR HA H 34 3.934 3.934 3.908 0.026 17482 2575 1 5 . 1 1 34 34 THR C C 34 176.579 176.579 176.056 0.523 17482 2576 1 5 . 1 1 34 34 THR CA C 34 66.459 66.459 67.272 -0.813 17482 2577 1 5 . 1 1 34 34 THR CB C 34 68.845 68.845 68.623 0.222 17482 2578 1 5 . 1 1 34 34 THR H H 34 8.254 8.254 8.080 0.174 17482 2579 1 5 . 1 1 35 35 ASP N N 35 121.116 121.116 120.588 0.528 17482 2580 1 5 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.461 0.035 17482 2581 1 5 . 1 1 35 35 ASP C C 35 177.933 177.933 178.208 -0.275 17482 2582 1 5 . 1 1 35 35 ASP CA C 35 57.062 57.062 56.920 0.141 17482 2583 1 5 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.759 1.069 17482 2584 1 5 . 1 1 35 35 ASP H H 35 7.880 7.880 7.826 0.054 17482 2585 1 5 . 1 1 36 36 LYS N N 36 116.457 116.457 119.401 -2.944 17482 2586 1 5 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.061 0.096 17482 2587 1 5 . 1 1 36 36 LYS C C 36 177.968 177.968 178.673 -0.705 17482 2588 1 5 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.896 -2.025 17482 2589 1 5 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.286 -0.373 17482 2590 1 5 . 1 1 36 36 LYS H H 36 7.677 7.677 7.293 0.384 17482 2591 1 5 . 1 1 37 37 ALA N N 37 121.588 121.588 121.092 0.496 17482 2592 1 5 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.125 -0.120 17482 2593 1 5 . 1 1 37 37 ALA C C 37 178.795 178.795 179.919 -1.124 17482 2594 1 5 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.809 0.522 17482 2595 1 5 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.270 0.204 17482 2596 1 5 . 1 1 37 37 ALA H H 37 8.296 8.296 8.042 0.254 17482 2597 1 5 . 1 1 38 38 ASP N N 38 116.490 116.490 118.608 -2.118 17482 2598 1 5 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.502 -0.093 17482 2599 1 5 . 1 1 38 38 ASP C C 38 178.347 178.347 178.427 -0.080 17482 2600 1 5 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.173 -0.444 17482 2601 1 5 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.112 -0.064 17482 2602 1 5 . 1 1 38 38 ASP H H 38 8.046 8.046 7.644 0.402 17482 2603 1 5 . 1 1 39 39 LYS N N 39 118.627 118.627 120.649 -2.022 17482 2604 1 5 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.063 0.085 17482 2605 1 5 . 1 1 39 39 LYS C C 39 178.588 178.588 178.936 -0.348 17482 2606 1 5 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.630 -1.404 17482 2607 1 5 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.632 0.025 17482 2608 1 5 . 1 1 39 39 LYS H H 39 7.757 7.757 7.753 0.004 17482 2609 1 5 . 1 1 40 40 VAL N N 40 116.146 116.146 118.772 -2.626 17482 2610 1 5 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.748 0.161 17482 2611 1 5 . 1 1 40 40 VAL C C 40 176.683 176.683 177.357 -0.674 17482 2612 1 5 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.673 -1.265 17482 2613 1 5 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.659 0.675 17482 2614 1 5 . 1 1 40 40 VAL H H 40 7.792 7.792 8.093 -0.301 17482 2615 1 5 . 1 1 41 41 ALA N N 41 122.561 122.561 121.025 1.536 17482 2616 1 5 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.221 -0.098 17482 2617 1 5 . 1 1 41 41 ALA C C 41 179.106 179.106 179.695 -0.589 17482 2618 1 5 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.524 0.005 17482 2619 1 5 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.423 0.178 17482 2620 1 5 . 1 1 41 41 ALA H H 41 8.094 8.094 7.525 0.569 17482 2621 1 5 . 1 1 42 42 GLY N N 42 105.072 105.072 107.063 -1.991 17482 2622 1 5 . 1 1 42 42 GLY C C 42 174.941 174.941 176.042 -1.101 17482 2623 1 5 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.418 -0.391 17482 2624 1 5 . 1 1 42 42 GLY H H 42 8.044 8.044 8.289 -0.245 17482 2625 1 5 . 1 1 43 43 LYS N N 43 119.123 119.123 119.723 -0.600 17482 2626 1 5 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.190 0.151 17482 2627 1 5 . 1 1 43 43 LYS C C 43 176.631 176.631 176.699 -0.068 17482 2628 1 5 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.656 0.141 17482 2629 1 5 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.798 0.598 17482 2630 1 5 . 1 1 43 43 LYS H H 43 7.834 7.834 8.228 -0.394 17482 2631 1 5 . 1 1 44 44 VAL N N 44 116.413 116.413 119.394 -2.981 17482 2632 1 5 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.188 -0.042 17482 2633 1 5 . 1 1 44 44 VAL C C 44 175.018 175.018 174.631 0.387 17482 2634 1 5 . 1 1 44 44 VAL CA C 44 62.331 62.331 60.887 1.444 17482 2635 1 5 . 1 1 44 44 VAL CB C 44 32.641 32.641 33.352 -0.711 17482 2636 1 5 . 1 1 44 44 VAL H H 44 7.650 7.650 7.084 0.566 17482 2637 1 5 . 1 1 45 45 GLN N N 45 122.078 122.078 127.534 -5.456 17482 2638 1 5 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.689 -0.030 17482 2639 1 5 . 1 1 45 45 GLN CA C 45 53.664 53.664 53.653 0.011 17482 2640 1 5 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.723 0.606 17482 2641 1 5 . 1 1 45 45 GLN H H 45 8.154 8.154 8.490 -0.336 17482 2642 1 5 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.567 -0.134 17482 2643 1 5 . 1 1 46 46 PRO C C 46 177.329 177.329 176.287 1.042 17482 2644 1 5 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.818 0.936 17482 2645 1 5 . 1 1 46 46 PRO CB C 46 32.231 32.231 33.175 -0.944 17482 2646 1 5 . 1 1 47 47 GLU N N 47 119.456 119.456 115.855 3.601 17482 2647 1 5 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.301 -0.090 17482 2648 1 5 . 1 1 47 47 GLU C C 47 176.484 176.484 175.602 0.882 17482 2649 1 5 . 1 1 47 47 GLU CA C 47 57.468 57.468 56.549 0.919 17482 2650 1 5 . 1 1 47 47 GLU CB C 47 30.329 30.329 30.194 0.135 17482 2651 1 5 . 1 1 47 47 GLU H H 47 8.491 8.491 8.747 -0.256 17482 2652 1 5 . 1 1 48 48 ASP N N 48 119.108 119.108 119.772 -0.664 17482 2653 1 5 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.318 0.267 17482 2654 1 5 . 1 1 48 48 ASP C C 48 175.863 175.863 175.807 0.056 17482 2655 1 5 . 1 1 48 48 ASP CA C 48 54.579 54.579 54.855 -0.276 17482 2656 1 5 . 1 1 48 48 ASP CB C 48 41.131 41.131 40.594 0.537 17482 2657 1 5 . 1 1 48 48 ASP H H 48 8.137 8.137 8.410 -0.273 17482 2658 1 5 . 1 1 49 49 ASN N N 49 117.714 117.714 118.713 -0.999 17482 2659 1 5 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.487 0.178 17482 2660 1 5 . 1 1 49 49 ASN C C 49 174.975 174.975 174.164 0.811 17482 2661 1 5 . 1 1 49 49 ASN CA C 49 53.728 53.728 54.020 -0.291 17482 2662 1 5 . 1 1 49 49 ASN CB C 49 39.131 39.131 38.872 0.259 17482 2663 1 5 . 1 1 49 49 ASN H H 49 8.173 8.173 8.232 -0.059 17482 2664 1 5 . 1 1 50 50 LYS N N 50 120.215 120.215 118.864 1.351 17482 2665 1 5 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.463 -0.155 17482 2666 1 5 . 1 1 50 50 LYS C C 50 176.950 176.950 175.611 1.339 17482 2667 1 5 . 1 1 50 50 LYS CA C 50 56.828 56.828 55.793 1.035 17482 2668 1 5 . 1 1 50 50 LYS CB C 50 33.031 33.031 33.790 -0.759 17482 2669 1 5 . 1 1 50 50 LYS H H 50 8.098 8.098 8.313 -0.215 17482 2670 1 5 . 1 1 51 51 GLY N N 51 109.286 109.286 108.295 0.991 17482 2671 1 5 . 1 1 51 51 GLY C C 51 175.251 175.251 174.944 0.307 17482 2672 1 5 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.419 0.494 17482 2673 1 5 . 1 1 51 51 GLY H H 51 8.295 8.295 8.425 -0.130 17482 2674 1 5 . 1 1 52 52 VAL N N 52 119.528 119.528 120.080 -0.552 17482 2675 1 5 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.764 0.100 17482 2676 1 5 . 1 1 52 52 VAL C C 52 176.372 176.372 177.063 -0.691 17482 2677 1 5 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.388 -0.042 17482 2678 1 5 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.786 0.444 17482 2679 1 5 . 1 1 52 52 VAL H H 52 7.940 7.940 8.066 -0.126 17482 2680 1 5 . 1 1 53 53 PHE N N 53 118.265 118.265 120.378 -2.113 17482 2681 1 5 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.399 0.194 17482 2682 1 5 . 1 1 53 53 PHE C C 53 176.441 176.441 178.136 -1.695 17482 2683 1 5 . 1 1 53 53 PHE CA C 53 58.676 58.676 60.634 -1.958 17482 2684 1 5 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.210 0.425 17482 2685 1 5 . 1 1 53 53 PHE H H 53 8.046 8.046 8.102 -0.056 17482 2686 1 5 . 1 1 54 54 GLN N N 54 119.441 119.441 119.245 0.196 17482 2687 1 5 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.130 0.041 17482 2688 1 5 . 1 1 54 54 GLN C C 54 177.166 177.166 178.801 -1.635 17482 2689 1 5 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.571 -2.022 17482 2690 1 5 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.216 1.283 17482 2691 1 5 . 1 1 54 54 GLN H H 54 7.978 7.978 8.729 -0.751 17482 2692 1 5 . 1 1 55 55 GLY N N 55 107.822 107.822 107.765 0.057 17482 2693 1 5 . 1 1 55 55 GLY C C 55 175.294 175.294 175.736 -0.442 17482 2694 1 5 . 1 1 55 55 GLY CA C 55 46.188 46.188 47.268 -1.080 17482 2695 1 5 . 1 1 55 55 GLY H H 55 8.120 8.120 7.932 0.188 17482 2696 1 5 . 1 1 56 56 VAL N N 56 119.174 119.174 120.831 -1.657 17482 2697 1 5 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.703 0.269 17482 2698 1 5 . 1 1 56 56 VAL C C 56 176.527 176.527 177.024 -0.497 17482 2699 1 5 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.386 -1.382 17482 2700 1 5 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.138 1.054 17482 2701 1 5 . 1 1 56 56 VAL H H 56 7.774 7.774 7.549 0.225 17482 2702 1 5 . 1 1 57 57 HIS N N 57 119.221 119.221 117.764 1.457 17482 2703 1 5 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.548 -0.006 17482 2704 1 5 . 1 1 57 57 HIS CA C 57 56.973 56.973 58.158 -1.185 17482 2705 1 5 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.353 -0.745 17482 2706 1 5 . 1 1 57 57 HIS H H 57 8.201 8.201 8.204 -0.003 17482 2707 1 5 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.472 0.108 17482 2708 1 5 . 1 1 58 58 ASP C C 58 177.097 177.097 178.548 -1.451 17482 2709 1 5 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.897 -1.876 17482 2710 1 5 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.746 0.490 17482 2711 1 5 . 1 1 59 59 SER N N 59 116.347 116.347 116.291 0.056 17482 2712 1 5 . 1 1 59 59 SER HA H 59 4.372 4.372 4.080 0.292 17482 2713 1 5 . 1 1 59 59 SER C C 59 175.087 175.087 176.146 -1.059 17482 2714 1 5 . 1 1 59 59 SER CA C 59 59.207 59.207 61.262 -2.055 17482 2715 1 5 . 1 1 59 59 SER CB C 59 63.780 63.780 62.934 0.846 17482 2716 1 5 . 1 1 59 59 SER H H 59 8.134 8.134 7.993 0.141 17482 2717 1 5 . 1 1 60 60 ALA N N 60 125.097 125.097 123.690 1.407 17482 2718 1 5 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.025 0.228 17482 2719 1 5 . 1 1 60 60 ALA C C 60 178.192 178.192 178.422 -0.230 17482 2720 1 5 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.515 -0.954 17482 2721 1 5 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.606 0.472 17482 2722 1 5 . 1 1 60 60 ALA H H 60 8.203 8.203 7.525 0.678 17482 2723 1 5 . 1 1 61 61 GLU N N 61 118.432 118.432 117.488 0.944 17482 2724 1 5 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.040 0.160 17482 2725 1 5 . 1 1 61 61 GLU C C 61 177.036 177.036 177.509 -0.473 17482 2726 1 5 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.955 -0.731 17482 2727 1 5 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.367 0.861 17482 2728 1 5 . 1 1 61 61 GLU H H 61 8.095 8.095 7.786 0.309 17482 2729 1 5 . 1 1 62 62 LYS N N 62 120.770 120.770 121.585 -0.815 17482 2730 1 5 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.222 0.075 17482 2731 1 5 . 1 1 62 62 LYS C C 62 177.450 177.450 176.120 1.330 17482 2732 1 5 . 1 1 62 62 LYS CA C 62 56.826 56.826 56.839 -0.013 17482 2733 1 5 . 1 1 62 62 LYS CB C 62 32.943 32.943 32.812 0.131 17482 2734 1 5 . 1 1 62 62 LYS H H 62 7.969 7.969 7.997 -0.028 17482 2735 1 5 . 1 1 63 63 GLY N N 63 108.912 108.912 111.850 -2.938 17482 2736 1 5 . 1 1 63 63 GLY C C 63 174.432 174.432 173.914 0.518 17482 2737 1 5 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.818 0.933 17482 2738 1 5 . 1 1 63 63 GLY H H 63 8.287 8.287 8.189 0.098 17482 2739 1 5 . 1 1 64 64 LYS N N 64 120.529 120.529 122.278 -1.749 17482 2740 1 5 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.459 -0.161 17482 2741 1 5 . 1 1 64 64 LYS C C 64 176.622 176.622 176.789 -0.167 17482 2742 1 5 . 1 1 64 64 LYS CA C 64 56.731 56.731 55.764 0.967 17482 2743 1 5 . 1 1 64 64 LYS CB C 64 33.117 33.117 32.927 0.190 17482 2744 1 5 . 1 1 64 64 LYS H H 64 8.019 8.019 8.027 -0.008 17482 2745 1 5 . 1 1 65 65 ASP N N 65 120.673 120.673 119.454 1.219 17482 2746 1 5 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.393 0.187 17482 2747 1 5 . 1 1 65 65 ASP C C 65 176.226 176.226 177.028 -0.802 17482 2748 1 5 . 1 1 65 65 ASP CA C 65 54.783 54.783 55.277 -0.494 17482 2749 1 5 . 1 1 65 65 ASP CB C 65 41.172 41.172 40.875 0.297 17482 2750 1 5 . 1 1 65 65 ASP H H 65 8.296 8.296 8.480 -0.184 17482 2751 1 5 . 1 1 66 66 ASN N N 66 118.902 118.902 116.479 2.423 17482 2752 1 5 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.261 0.429 17482 2753 1 5 . 1 1 66 66 ASN C C 66 175.217 175.217 174.058 1.159 17482 2754 1 5 . 1 1 66 66 ASN CA C 66 53.475 53.475 54.568 -1.093 17482 2755 1 5 . 1 1 66 66 ASN CB C 66 39.117 39.117 38.033 1.084 17482 2756 1 5 . 1 1 66 66 ASN H H 66 8.212 8.212 8.766 -0.554 17482 2757 1 5 . 1 1 67 67 ALA N N 67 124.149 124.149 119.558 4.591 17482 2758 1 5 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.358 -0.058 17482 2759 1 5 . 1 1 67 67 ALA C C 67 177.890 177.890 176.484 1.406 17482 2760 1 5 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.024 1.029 17482 2761 1 5 . 1 1 67 67 ALA CB C 67 19.427 19.427 19.719 -0.292 17482 2762 1 5 . 1 1 67 67 ALA H H 67 8.212 8.212 7.951 0.261 17482 2763 1 5 . 1 1 68 68 GLU N N 68 119.216 119.216 120.985 -1.769 17482 2764 1 5 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.473 -0.202 17482 2765 1 5 . 1 1 68 68 GLU C C 68 177.243 177.243 177.445 -0.202 17482 2766 1 5 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.103 0.694 17482 2767 1 5 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.357 -0.198 17482 2768 1 5 . 1 1 68 68 GLU H H 68 8.286 8.286 8.117 0.169 17482 2769 1 5 . 1 1 69 69 GLY N N 69 109.637 109.637 111.724 -2.087 17482 2770 1 5 . 1 1 69 69 GLY C C 69 174.371 174.371 173.981 0.390 17482 2771 1 5 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.053 0.581 17482 2772 1 5 . 1 1 69 69 GLY H H 69 8.293 8.293 8.279 0.014 17482 2773 1 5 . 1 1 70 70 GLN N N 70 119.629 119.629 118.187 1.442 17482 2774 1 5 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.361 0.032 17482 2775 1 5 . 1 1 70 70 GLN C C 70 176.502 176.502 175.064 1.438 17482 2776 1 5 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.665 0.381 17482 2777 1 5 . 1 1 70 70 GLN CB C 70 29.627 29.627 29.898 -0.271 17482 2778 1 5 . 1 1 70 70 GLN H H 70 8.201 8.201 8.174 0.027 17482 2779 1 5 . 1 1 71 71 GLY N N 71 109.977 109.977 112.772 -2.795 17482 2780 1 5 . 1 1 71 71 GLY C C 71 173.992 173.992 173.702 0.290 17482 2781 1 5 . 1 1 71 71 GLY CA C 71 45.634 45.634 45.054 0.580 17482 2782 1 5 . 1 1 71 71 GLY H H 71 8.424 8.424 8.883 -0.459 17482 2783 1 5 . 1 1 72 72 GLU N N 72 120.532 120.532 118.930 1.602 17482 2784 1 5 . 1 1 72 72 GLU HA H 72 4.411 4.411 3.954 0.457 17482 2785 1 5 . 1 1 72 72 GLU C C 72 176.639 176.639 174.973 1.666 17482 2786 1 5 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.930 -0.312 17482 2787 1 5 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.694 0.037 17482 2788 1 5 . 1 1 72 72 GLU H H 72 8.244 8.244 7.957 0.287 17482 2789 1 5 . 1 1 73 73 SER N N 73 117.827 117.827 115.971 1.856 17482 2790 1 5 . 1 1 73 73 SER HA H 73 4.589 4.589 4.440 0.149 17482 2791 1 5 . 1 1 73 73 SER C C 73 175.475 175.475 175.677 -0.202 17482 2792 1 5 . 1 1 73 73 SER CA C 73 58.064 58.064 58.132 -0.068 17482 2793 1 5 . 1 1 73 73 SER CB C 73 64.761 64.761 63.269 1.492 17482 2794 1 5 . 1 1 73 73 SER H H 73 8.689 8.689 8.597 0.092 17482 2795 1 5 . 1 1 74 74 LEU N N 74 124.414 124.414 129.235 -4.821 17482 2796 1 5 . 1 1 74 74 LEU HA H 74 4.201 4.201 3.974 0.227 17482 2797 1 5 . 1 1 74 74 LEU C C 74 178.735 178.735 177.996 0.739 17482 2798 1 5 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.418 0.477 17482 2799 1 5 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.846 0.088 17482 2800 1 5 . 1 1 74 74 LEU H H 74 8.514 8.514 8.403 0.111 17482 2801 1 5 . 1 1 75 75 ALA N N 75 120.291 120.291 119.918 0.373 17482 2802 1 5 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.978 0.013 17482 2803 1 5 . 1 1 75 75 ALA C C 75 179.046 179.046 180.038 -0.992 17482 2804 1 5 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.971 0.296 17482 2805 1 5 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.664 0.930 17482 2806 1 5 . 1 1 75 75 ALA H H 75 8.160 8.160 8.267 -0.107 17482 2807 1 5 . 1 1 76 76 ASP N N 76 117.288 117.288 117.187 0.101 17482 2808 1 5 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.514 -0.108 17482 2809 1 5 . 1 1 76 76 ASP C C 76 178.476 178.476 178.666 -0.190 17482 2810 1 5 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.922 0.211 17482 2811 1 5 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.172 -0.520 17482 2812 1 5 . 1 1 76 76 ASP H H 76 7.773 7.773 8.164 -0.391 17482 2813 1 5 . 1 1 77 77 GLN N N 77 119.454 119.454 118.885 0.569 17482 2814 1 5 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.189 -0.027 17482 2815 1 5 . 1 1 77 77 GLN C C 77 178.037 178.037 178.157 -0.120 17482 2816 1 5 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.115 0.266 17482 2817 1 5 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.977 0.503 17482 2818 1 5 . 1 1 77 77 GLN H H 77 7.994 7.994 7.771 0.223 17482 2819 1 5 . 1 1 78 78 ALA N N 78 121.577 121.577 123.251 -1.674 17482 2820 1 5 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.165 -0.016 17482 2821 1 5 . 1 1 78 78 ALA C C 78 178.977 178.977 179.570 -0.593 17482 2822 1 5 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.278 -0.147 17482 2823 1 5 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.267 0.388 17482 2824 1 5 . 1 1 78 78 ALA H H 78 8.498 8.498 8.377 0.121 17482 2825 1 5 . 1 1 79 79 ARG N N 79 117.138 117.138 118.409 -1.271 17482 2826 1 5 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.027 -0.015 17482 2827 1 5 . 1 1 79 79 ARG C C 79 175.449 175.449 178.840 -3.391 17482 2828 1 5 . 1 1 79 79 ARG CA C 79 59.503 59.503 58.978 0.525 17482 2829 1 5 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.742 0.404 17482 2830 1 5 . 1 1 79 79 ARG H H 79 8.101 8.101 7.832 0.269 17482 2831 1 5 . 1 1 80 80 ASP N N 80 120.784 120.784 119.618 1.166 17482 2832 1 5 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.515 -0.002 17482 2833 1 5 . 1 1 80 80 ASP C C 80 178.882 178.882 178.460 0.422 17482 2834 1 5 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.283 -0.407 17482 2835 1 5 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.961 -0.633 17482 2836 1 5 . 1 1 80 80 ASP H H 80 8.000 8.000 7.720 0.281 17482 2837 1 5 . 1 1 81 81 TYR N N 81 120.298 120.298 121.165 -0.867 17482 2838 1 5 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.317 0.114 17482 2839 1 5 . 1 1 81 81 TYR C C 81 177.855 177.855 177.586 0.269 17482 2840 1 5 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.405 0.429 17482 2841 1 5 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.669 -0.191 17482 2842 1 5 . 1 1 81 81 TYR H H 81 8.127 8.127 7.566 0.561 17482 2843 1 5 . 1 1 82 82 MET N N 82 118.452 118.452 117.558 0.894 17482 2844 1 5 . 1 1 82 82 MET HA H 82 4.239 4.239 3.908 0.331 17482 2845 1 5 . 1 1 82 82 MET C C 82 178.175 178.175 178.884 -0.709 17482 2846 1 5 . 1 1 82 82 MET CA C 82 58.757 58.757 58.373 0.384 17482 2847 1 5 . 1 1 82 82 MET CB C 82 32.631 32.631 31.963 0.668 17482 2848 1 5 . 1 1 82 82 MET H H 82 8.382 8.382 8.794 -0.412 17482 2849 1 5 . 1 1 83 83 GLY N N 83 106.740 106.740 105.607 1.133 17482 2850 1 5 . 1 1 83 83 GLY C C 83 176.717 176.717 175.210 1.507 17482 2851 1 5 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.132 0.199 17482 2852 1 5 . 1 1 83 83 GLY H H 83 8.308 8.308 7.936 0.372 17482 2853 1 5 . 1 1 84 84 ALA N N 84 125.357 125.357 124.519 0.838 17482 2854 1 5 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.026 0.261 17482 2855 1 5 . 1 1 84 84 ALA C C 84 180.149 180.149 179.290 0.859 17482 2856 1 5 . 1 1 84 84 ALA CA C 84 54.648 54.648 55.004 -0.356 17482 2857 1 5 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.192 0.349 17482 2858 1 5 . 1 1 84 84 ALA H H 84 7.905 7.905 7.496 0.409 17482 2859 1 5 . 1 1 85 85 ALA N N 85 121.332 121.332 119.658 1.674 17482 2860 1 5 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.933 0.092 17482 2861 1 5 . 1 1 85 85 ALA C C 85 178.847 178.847 179.470 -0.623 17482 2862 1 5 . 1 1 85 85 ALA CA C 85 55.283 55.283 55.391 -0.107 17482 2863 1 5 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.086 0.401 17482 2864 1 5 . 1 1 85 85 ALA H H 85 8.341 8.341 7.671 0.670 17482 2865 1 5 . 1 1 86 86 LYS N N 86 116.980 116.980 118.238 -1.258 17482 2866 1 5 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.960 -0.088 17482 2867 1 5 . 1 1 86 86 LYS C C 86 178.485 178.485 179.051 -0.566 17482 2868 1 5 . 1 1 86 86 LYS CA C 86 60.193 60.193 58.935 1.258 17482 2869 1 5 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.605 0.726 17482 2870 1 5 . 1 1 86 86 LYS H H 86 8.360 8.360 7.391 0.969 17482 2871 1 5 . 1 1 87 87 SER N N 87 113.632 113.632 115.223 -1.591 17482 2872 1 5 . 1 1 87 87 SER HA H 87 4.299 4.299 4.085 0.214 17482 2873 1 5 . 1 1 87 87 SER C C 87 176.467 176.467 176.697 -0.230 17482 2874 1 5 . 1 1 87 87 SER CA C 87 61.614 61.614 61.997 -0.383 17482 2875 1 5 . 1 1 87 87 SER CB C 87 63.064 63.064 63.015 0.049 17482 2876 1 5 . 1 1 87 87 SER H H 87 7.863 7.863 7.852 0.011 17482 2877 1 5 . 1 1 88 88 LYS N N 88 120.925 120.925 121.249 -0.324 17482 2878 1 5 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.029 0.316 17482 2879 1 5 . 1 1 88 88 LYS C C 88 178.502 178.502 178.914 -0.412 17482 2880 1 5 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.651 -0.955 17482 2881 1 5 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.231 -0.220 17482 2882 1 5 . 1 1 88 88 LYS H H 88 7.843 7.843 7.918 -0.075 17482 2883 1 5 . 1 1 89 89 LEU N N 89 119.955 119.955 121.161 -1.206 17482 2884 1 5 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.915 0.190 17482 2885 1 5 . 1 1 89 89 LEU C C 89 178.209 178.209 178.559 -0.350 17482 2886 1 5 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.035 0.162 17482 2887 1 5 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.558 0.073 17482 2888 1 5 . 1 1 89 89 LEU H H 89 8.174 8.174 8.453 -0.279 17482 2889 1 5 . 1 1 90 90 ASN N N 90 117.013 117.013 116.523 0.490 17482 2890 1 5 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.399 -0.006 17482 2891 1 5 . 1 1 90 90 ASN C C 90 174.164 174.164 177.711 -3.547 17482 2892 1 5 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.409 0.757 17482 2893 1 5 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.018 0.934 17482 2894 1 5 . 1 1 90 90 ASN H H 90 8.223 8.223 8.281 -0.058 17482 2895 1 5 . 1 1 91 91 ASP N N 91 119.959 119.959 118.870 1.089 17482 2896 1 5 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.440 0.017 17482 2897 1 5 . 1 1 91 91 ASP C C 91 178.804 178.804 177.534 1.270 17482 2898 1 5 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.094 0.344 17482 2899 1 5 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.670 -0.491 17482 2900 1 5 . 1 1 91 91 ASP H H 91 8.043 8.043 7.483 0.560 17482 2901 1 5 . 1 1 92 92 ALA N N 92 123.900 123.900 122.412 1.488 17482 2902 1 5 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.260 -0.057 17482 2903 1 5 . 1 1 92 92 ALA C C 92 178.951 178.951 179.536 -0.585 17482 2904 1 5 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.986 0.551 17482 2905 1 5 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.699 -0.195 17482 2906 1 5 . 1 1 92 92 ALA H H 92 8.256 8.256 7.591 0.665 17482 2907 1 5 . 1 1 93 93 VAL N N 93 118.228 118.228 119.865 -1.637 17482 2908 1 5 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.495 0.099 17482 2909 1 5 . 1 1 93 93 VAL C C 93 178.761 178.761 177.992 0.769 17482 2910 1 5 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.694 -0.537 17482 2911 1 5 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.144 0.651 17482 2912 1 5 . 1 1 93 93 VAL H H 93 8.449 8.449 8.605 -0.156 17482 2913 1 5 . 1 1 94 94 GLU N N 94 120.485 120.485 119.351 1.134 17482 2914 1 5 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.947 0.098 17482 2915 1 5 . 1 1 94 94 GLU C C 94 179.347 179.347 179.334 0.013 17482 2916 1 5 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.038 -0.407 17482 2917 1 5 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.625 -0.094 17482 2918 1 5 . 1 1 94 94 GLU H H 94 8.175 8.175 7.870 0.305 17482 2919 1 5 . 1 1 95 95 TYR N N 95 120.806 120.806 119.339 1.467 17482 2920 1 5 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.231 -0.003 17482 2921 1 5 . 1 1 95 95 TYR C C 95 178.407 178.407 177.653 0.754 17482 2922 1 5 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.420 0.141 17482 2923 1 5 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.455 0.176 17482 2924 1 5 . 1 1 95 95 TYR H H 95 8.197 8.197 7.410 0.787 17482 2925 1 5 . 1 1 96 96 VAL N N 96 118.584 118.584 119.829 -1.245 17482 2926 1 5 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.597 -0.114 17482 2927 1 5 . 1 1 96 96 VAL C C 96 177.752 177.752 177.808 -0.056 17482 2928 1 5 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.144 -0.464 17482 2929 1 5 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.545 0.477 17482 2930 1 5 . 1 1 96 96 VAL H H 96 8.525 8.525 8.504 0.021 17482 2931 1 5 . 1 1 97 97 SER N N 97 114.566 114.566 114.917 -0.351 17482 2932 1 5 . 1 1 97 97 SER HA H 97 4.080 4.080 4.145 -0.065 17482 2933 1 5 . 1 1 97 97 SER C C 97 176.803 176.803 177.081 -0.278 17482 2934 1 5 . 1 1 97 97 SER CA C 97 61.800 61.800 62.179 -0.379 17482 2935 1 5 . 1 1 97 97 SER CB C 97 63.258 63.258 62.793 0.465 17482 2936 1 5 . 1 1 97 97 SER H H 97 8.642 8.642 8.801 -0.159 17482 2937 1 5 . 1 1 98 98 GLY N N 98 107.586 107.586 107.133 0.453 17482 2938 1 5 . 1 1 98 98 GLY C C 98 175.553 175.553 175.224 0.329 17482 2939 1 5 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.951 0.605 17482 2940 1 5 . 1 1 98 98 GLY H H 98 7.926 7.926 7.648 0.278 17482 2941 1 5 . 1 1 99 99 ARG N N 99 119.948 119.948 120.373 -0.425 17482 2942 1 5 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.226 -0.023 17482 2943 1 5 . 1 1 99 99 ARG C C 99 177.830 177.830 178.658 -0.828 17482 2944 1 5 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.471 -0.342 17482 2945 1 5 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.427 -0.215 17482 2946 1 5 . 1 1 99 99 ARG H H 99 7.611 7.611 7.447 0.164 17482 2947 1 5 . 1 1 100 100 VAL N N 100 116.709 116.709 117.897 -1.188 17482 2948 1 5 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.834 0.106 17482 2949 1 5 . 1 1 100 100 VAL C C 100 176.381 176.381 176.880 -0.499 17482 2950 1 5 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.257 -1.327 17482 2951 1 5 . 1 1 100 100 VAL CB C 100 32.331 32.331 32.015 0.316 17482 2952 1 5 . 1 1 100 100 VAL H H 100 7.906 7.906 8.329 -0.423 17482 2953 1 5 . 1 1 101 101 HIS N N 101 117.584 117.584 115.650 1.934 17482 2954 1 5 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.718 0.057 17482 2955 1 5 . 1 1 101 101 HIS C C 101 175.484 175.484 174.277 1.207 17482 2956 1 5 . 1 1 101 101 HIS CA C 101 55.862 55.862 54.802 1.060 17482 2957 1 5 . 1 1 101 101 HIS CB C 101 29.517 29.517 33.123 -3.606 17482 2958 1 5 . 1 1 101 101 HIS H H 101 8.061 8.061 7.632 0.429 17482 2959 1 5 . 1 1 102 102 GLY N N 102 109.164 109.164 107.596 1.568 17482 2960 1 5 . 1 1 102 102 GLY C C 102 174.121 174.121 174.849 -0.728 17482 2961 1 5 . 1 1 102 102 GLY CA C 102 45.719 45.719 44.981 0.738 17482 2962 1 5 . 1 1 102 102 GLY H H 102 7.990 7.990 8.105 -0.115 17482 2963 1 5 . 1 1 103 103 GLU N N 103 120.493 120.493 119.783 0.710 17482 2964 1 5 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.365 -0.050 17482 2965 1 5 . 1 1 103 103 GLU C C 103 176.467 176.467 177.090 -0.623 17482 2966 1 5 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.967 0.484 17482 2967 1 5 . 1 1 103 103 GLU CB C 103 30.731 30.731 30.662 0.070 17482 2968 1 5 . 1 1 103 103 GLU H H 103 8.320 8.320 8.149 0.171 17482 2969 1 5 . 1 1 104 104 GLU N N 104 122.018 122.018 120.039 1.979 17482 2970 1 5 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.115 0.148 17482 2971 1 5 . 1 1 104 104 GLU C C 104 175.820 175.820 175.093 0.727 17482 2972 1 5 . 1 1 104 104 GLU CA C 104 56.480 56.480 57.134 -0.654 17482 2973 1 5 . 1 1 104 104 GLU CB C 104 30.654 30.654 29.990 0.664 17482 2974 1 5 . 1 1 104 104 GLU H H 104 8.358 8.358 8.468 -0.110 17482 2975 1 5 . 1 1 105 105 ASP N N 105 122.625 122.625 120.509 2.116 17482 2976 1 5 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.744 0.154 17482 2977 1 5 . 1 1 105 105 ASP CA C 105 51.728 51.728 52.963 -1.235 17482 2978 1 5 . 1 1 105 105 ASP CB C 105 41.614 41.614 40.417 1.197 17482 2979 1 5 . 1 1 105 105 ASP H H 105 8.350 8.350 8.615 -0.265 17482 2980 1 5 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.665 -0.199 17482 2981 1 5 . 1 1 106 106 PRO C C 106 177.605 177.605 176.917 0.688 17482 2982 1 5 . 1 1 106 106 PRO CA C 106 63.921 63.921 62.955 0.966 17482 2983 1 5 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.614 -0.318 17482 2984 1 5 . 1 1 107 107 THR N N 107 111.954 111.954 109.425 2.529 17482 2985 1 5 . 1 1 107 107 THR HA H 107 4.281 4.281 4.554 -0.273 17482 2986 1 5 . 1 1 107 107 THR C C 107 174.889 174.889 174.310 0.579 17482 2987 1 5 . 1 1 107 107 THR CA C 107 62.896 62.896 61.983 0.913 17482 2988 1 5 . 1 1 107 107 THR CB C 107 69.593 69.593 69.582 0.011 17482 2989 1 5 . 1 1 107 107 THR H H 107 8.355 8.355 8.312 0.043 17482 2990 1 5 . 1 1 108 108 LYS N N 108 123.177 123.177 121.154 2.023 17482 2991 1 5 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.468 -0.113 17482 2992 1 5 . 1 1 108 108 LYS C C 108 175.406 175.406 175.127 0.279 17482 2993 1 5 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.602 0.649 17482 2994 1 5 . 1 1 108 108 LYS CB C 108 32.964 32.964 35.940 -2.976 17482 2995 1 5 . 1 1 108 108 LYS H H 108 7.739 7.739 7.909 -0.170 17482 2996 1 6 . 1 1 2 2 SER HA H 2 4.546 4.546 5.043 -0.497 17482 2997 1 6 . 1 1 2 2 SER CA C 2 58.499 58.499 58.137 0.362 17482 2998 1 6 . 1 1 2 2 SER CB C 2 64.011 64.011 64.962 -0.951 17482 2999 1 6 . 1 1 3 3 ASP HA H 3 4.602 4.602 5.267 -0.665 17482 3000 1 6 . 1 1 3 3 ASP C C 3 176.010 176.010 175.103 0.907 17482 3001 1 6 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.481 1.255 17482 3002 1 6 . 1 1 3 3 ASP CB C 3 41.269 41.269 43.056 -1.787 17482 3003 1 6 . 1 1 4 4 ALA N N 4 123.253 123.253 121.635 1.618 17482 3004 1 6 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.529 -0.203 17482 3005 1 6 . 1 1 4 4 ALA C C 4 178.097 178.097 178.227 -0.130 17482 3006 1 6 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.976 -0.129 17482 3007 1 6 . 1 1 4 4 ALA CB C 4 19.323 19.323 18.880 0.443 17482 3008 1 6 . 1 1 4 4 ALA H H 4 8.095 8.095 8.642 -0.547 17482 3009 1 6 . 1 1 5 5 GLY N N 5 107.651 107.651 107.913 -0.262 17482 3010 1 6 . 1 1 5 5 GLY C C 5 174.828 174.828 174.637 0.191 17482 3011 1 6 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.607 0.841 17482 3012 1 6 . 1 1 5 5 GLY H H 5 8.167 8.167 8.014 0.152 17482 3013 1 6 . 1 1 6 6 ARG N N 6 120.230 120.230 118.687 1.543 17482 3014 1 6 . 1 1 6 6 ARG HA H 6 4.349 4.349 3.981 0.368 17482 3015 1 6 . 1 1 6 6 ARG C C 6 176.562 176.562 175.497 1.065 17482 3016 1 6 . 1 1 6 6 ARG CA C 6 56.399 56.399 57.032 -0.633 17482 3017 1 6 . 1 1 6 6 ARG CB C 6 30.831 30.831 30.696 0.135 17482 3018 1 6 . 1 1 6 6 ARG H H 6 8.060 8.060 8.335 -0.275 17482 3019 1 6 . 1 1 7 7 LYS N N 7 121.076 121.076 116.653 4.423 17482 3020 1 6 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.043 0.214 17482 3021 1 6 . 1 1 7 7 LYS C C 7 177.010 177.010 177.196 -0.186 17482 3022 1 6 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.944 -0.024 17482 3023 1 6 . 1 1 7 7 LYS CB C 7 32.831 32.831 32.420 0.411 17482 3024 1 6 . 1 1 7 7 LYS H H 7 8.181 8.181 8.357 -0.176 17482 3025 1 6 . 1 1 8 8 GLY N N 8 108.196 108.196 108.341 -0.145 17482 3026 1 6 . 1 1 8 8 GLY C C 8 174.828 174.828 175.414 -0.586 17482 3027 1 6 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.136 -0.307 17482 3028 1 6 . 1 1 8 8 GLY H H 8 8.141 8.141 8.444 -0.303 17482 3029 1 6 . 1 1 9 9 PHE N N 9 120.374 120.374 123.298 -2.924 17482 3030 1 6 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.702 -0.310 17482 3031 1 6 . 1 1 9 9 PHE C C 9 176.898 176.898 176.983 -0.085 17482 3032 1 6 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.257 1.723 17482 3033 1 6 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.255 0.298 17482 3034 1 6 . 1 1 9 9 PHE H H 9 8.072 8.072 8.031 0.041 17482 3035 1 6 . 1 1 10 10 GLY N N 10 107.944 107.944 108.032 -0.088 17482 3036 1 6 . 1 1 10 10 GLY C C 10 175.441 175.441 175.967 -0.526 17482 3037 1 6 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.501 -0.679 17482 3038 1 6 . 1 1 10 10 GLY H H 10 8.431 8.431 8.299 0.132 17482 3039 1 6 . 1 1 11 11 GLU N N 11 121.098 121.098 121.725 -0.627 17482 3040 1 6 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.050 0.050 17482 3041 1 6 . 1 1 11 11 GLU C C 11 175.234 175.234 179.368 -4.134 17482 3042 1 6 . 1 1 11 11 GLU CA C 11 58.971 58.971 60.178 -1.207 17482 3043 1 6 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.460 0.438 17482 3044 1 6 . 1 1 11 11 GLU H H 11 8.003 8.003 8.723 -0.720 17482 3045 1 6 . 1 1 12 12 LYS N N 12 119.103 119.103 118.663 0.440 17482 3046 1 6 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.052 0.092 17482 3047 1 6 . 1 1 12 12 LYS C C 12 178.520 178.520 179.003 -0.483 17482 3048 1 6 . 1 1 12 12 LYS CA C 12 58.337 58.337 59.091 -0.754 17482 3049 1 6 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.290 0.104 17482 3050 1 6 . 1 1 12 12 LYS H H 12 7.930 7.930 7.622 0.308 17482 3051 1 6 . 1 1 13 13 ALA N N 13 121.534 121.534 122.595 -1.061 17482 3052 1 6 . 1 1 13 13 ALA HA H 13 4.011 4.011 4.079 -0.068 17482 3053 1 6 . 1 1 13 13 ALA C C 13 178.364 178.364 179.651 -1.287 17482 3054 1 6 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.337 -0.609 17482 3055 1 6 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.863 0.597 17482 3056 1 6 . 1 1 13 13 ALA H H 13 8.216 8.216 8.621 -0.405 17482 3057 1 6 . 1 1 14 14 SER N N 14 111.263 111.263 112.572 -1.309 17482 3058 1 6 . 1 1 14 14 SER HA H 14 4.114 4.114 4.173 -0.059 17482 3059 1 6 . 1 1 14 14 SER C C 14 176.148 176.148 176.962 -0.814 17482 3060 1 6 . 1 1 14 14 SER CA C 14 61.159 61.159 61.382 -0.223 17482 3061 1 6 . 1 1 14 14 SER CB C 14 63.250 63.250 62.984 0.266 17482 3062 1 6 . 1 1 14 14 SER H H 14 8.000 8.000 8.184 -0.184 17482 3063 1 6 . 1 1 15 15 GLU N N 15 119.902 119.902 120.682 -0.780 17482 3064 1 6 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.162 0.004 17482 3065 1 6 . 1 1 15 15 GLU C C 15 177.493 177.493 177.837 -0.344 17482 3066 1 6 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.638 -0.625 17482 3067 1 6 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.698 0.243 17482 3068 1 6 . 1 1 15 15 GLU H H 15 7.724 7.724 7.444 0.280 17482 3069 1 6 . 1 1 16 16 ALA N N 16 120.687 120.687 122.109 -1.422 17482 3070 1 6 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.127 0.134 17482 3071 1 6 . 1 1 16 16 ALA C C 16 177.933 177.933 179.338 -1.405 17482 3072 1 6 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.795 -1.020 17482 3073 1 6 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.158 0.386 17482 3074 1 6 . 1 1 16 16 ALA H H 16 7.726 7.726 8.081 -0.355 17482 3075 1 6 . 1 1 17 17 LEU N N 17 116.559 116.559 116.299 0.260 17482 3076 1 6 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.143 0.216 17482 3077 1 6 . 1 1 17 17 LEU C C 17 176.277 176.277 177.672 -1.395 17482 3078 1 6 . 1 1 17 17 LEU CA C 17 54.934 54.934 57.046 -2.112 17482 3079 1 6 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.599 0.966 17482 3080 1 6 . 1 1 17 17 LEU H H 17 7.634 7.634 7.576 0.058 17482 3081 1 6 . 1 1 18 18 LYS N N 18 120.269 120.269 119.249 1.020 17482 3082 1 6 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.404 0.163 17482 3083 1 6 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.369 -0.880 17482 3084 1 6 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.414 0.106 17482 3085 1 6 . 1 1 18 18 LYS H H 18 7.761 7.761 7.562 0.199 17482 3086 1 6 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.447 -0.004 17482 3087 1 6 . 1 1 19 19 PRO C C 19 176.984 176.984 176.319 0.665 17482 3088 1 6 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.538 1.295 17482 3089 1 6 . 1 1 19 19 PRO CB C 19 32.247 32.247 31.997 0.251 17482 3090 1 6 . 1 1 20 20 ASP N N 20 119.103 119.103 119.112 -0.009 17482 3091 1 6 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.546 0.056 17482 3092 1 6 . 1 1 20 20 ASP C C 20 176.639 176.639 176.418 0.221 17482 3093 1 6 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.779 -0.282 17482 3094 1 6 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.225 0.006 17482 3095 1 6 . 1 1 20 20 ASP H H 20 8.383 8.383 8.457 -0.074 17482 3096 1 6 . 1 1 21 21 SER N N 21 115.970 115.970 114.471 1.499 17482 3097 1 6 . 1 1 21 21 SER HA H 21 4.376 4.376 4.468 -0.092 17482 3098 1 6 . 1 1 21 21 SER C C 21 174.889 174.889 174.140 0.749 17482 3099 1 6 . 1 1 21 21 SER CA C 21 59.093 59.093 57.796 1.297 17482 3100 1 6 . 1 1 21 21 SER CB C 21 63.860 63.860 64.249 -0.389 17482 3101 1 6 . 1 1 21 21 SER H H 21 8.054 8.054 8.162 -0.108 17482 3102 1 6 . 1 1 22 22 GLN N N 22 120.766 120.766 119.048 1.718 17482 3103 1 6 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.500 -0.222 17482 3104 1 6 . 1 1 22 22 GLN C C 22 175.984 175.984 175.306 0.678 17482 3105 1 6 . 1 1 22 22 GLN CA C 22 56.739 56.739 54.379 2.360 17482 3106 1 6 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.721 -0.530 17482 3107 1 6 . 1 1 22 22 GLN H H 22 8.452 8.452 8.277 0.175 17482 3108 1 6 . 1 1 23 23 LYS N N 23 120.410 120.410 121.846 -1.436 17482 3109 1 6 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.249 0.088 17482 3110 1 6 . 1 1 23 23 LYS C C 23 176.191 176.191 175.675 0.516 17482 3111 1 6 . 1 1 23 23 LYS CA C 23 56.208 56.208 56.519 -0.311 17482 3112 1 6 . 1 1 23 23 LYS CB C 23 33.736 33.736 30.404 3.332 17482 3113 1 6 . 1 1 23 23 LYS H H 23 7.935 7.935 8.484 -0.549 17482 3114 1 6 . 1 1 24 24 SER N N 24 117.302 117.302 115.934 1.368 17482 3115 1 6 . 1 1 24 24 SER HA H 24 4.492 4.492 4.742 -0.250 17482 3116 1 6 . 1 1 24 24 SER C C 24 175.717 175.717 174.443 1.274 17482 3117 1 6 . 1 1 24 24 SER CA C 24 58.145 58.145 57.030 1.115 17482 3118 1 6 . 1 1 24 24 SER CB C 24 63.815 63.815 64.566 -0.751 17482 3119 1 6 . 1 1 24 24 SER H H 24 8.365 8.365 8.025 0.340 17482 3120 1 6 . 1 1 25 25 TYR N N 25 121.904 121.904 123.166 -1.262 17482 3121 1 6 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.151 0.231 17482 3122 1 6 . 1 1 25 25 TYR C C 25 177.752 177.752 177.518 0.234 17482 3123 1 6 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.076 -0.131 17482 3124 1 6 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.321 0.500 17482 3125 1 6 . 1 1 25 25 TYR H H 25 8.205 8.205 8.930 -0.725 17482 3126 1 6 . 1 1 26 26 ALA N N 26 121.123 121.123 120.521 0.602 17482 3127 1 6 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.958 0.099 17482 3128 1 6 . 1 1 26 26 ALA C C 26 179.037 179.037 179.879 -0.842 17482 3129 1 6 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.328 0.209 17482 3130 1 6 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.029 0.445 17482 3131 1 6 . 1 1 26 26 ALA H H 26 8.233 8.233 8.570 -0.337 17482 3132 1 6 . 1 1 27 27 GLU N N 27 117.313 117.313 118.225 -0.912 17482 3133 1 6 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.108 -0.091 17482 3134 1 6 . 1 1 27 27 GLU C C 27 179.166 179.166 179.244 -0.078 17482 3135 1 6 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.125 0.353 17482 3136 1 6 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.930 -0.064 17482 3137 1 6 . 1 1 27 27 GLU H H 27 7.922 7.922 7.955 -0.033 17482 3138 1 6 . 1 1 28 28 GLN N N 28 118.602 118.602 119.615 -1.013 17482 3139 1 6 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.945 0.243 17482 3140 1 6 . 1 1 28 28 GLN C C 28 179.132 179.132 178.915 0.217 17482 3141 1 6 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.817 0.028 17482 3142 1 6 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.439 0.943 17482 3143 1 6 . 1 1 28 28 GLN H H 28 8.179 8.179 7.903 0.276 17482 3144 1 6 . 1 1 29 29 GLY N N 29 107.984 107.984 106.925 1.059 17482 3145 1 6 . 1 1 29 29 GLY C C 29 174.518 174.518 175.689 -1.171 17482 3146 1 6 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.683 0.903 17482 3147 1 6 . 1 1 29 29 GLY H H 29 8.804 8.804 8.490 0.314 17482 3148 1 6 . 1 1 30 30 LYS N N 30 121.339 121.339 121.959 -0.620 17482 3149 1 6 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.861 0.100 17482 3150 1 6 . 1 1 30 30 LYS C C 30 178.925 178.925 178.591 0.334 17482 3151 1 6 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.110 0.290 17482 3152 1 6 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.298 0.129 17482 3153 1 6 . 1 1 30 30 LYS H H 30 8.406 8.406 7.468 0.938 17482 3154 1 6 . 1 1 31 31 GLU N N 31 119.880 119.880 118.925 0.955 17482 3155 1 6 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.014 0.026 17482 3156 1 6 . 1 1 31 31 GLU C C 31 177.761 177.761 178.814 -1.053 17482 3157 1 6 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.108 0.423 17482 3158 1 6 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.544 -0.013 17482 3159 1 6 . 1 1 31 31 GLU H H 31 8.090 8.090 8.138 -0.048 17482 3160 1 6 . 1 1 32 32 TYR N N 32 119.786 119.786 120.477 -0.691 17482 3161 1 6 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.179 0.092 17482 3162 1 6 . 1 1 32 32 TYR C C 32 178.054 178.054 177.583 0.471 17482 3163 1 6 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.853 -0.133 17482 3164 1 6 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.708 0.223 17482 3165 1 6 . 1 1 32 32 TYR H H 32 8.052 8.052 7.672 0.380 17482 3166 1 6 . 1 1 33 33 ILE N N 33 116.856 116.856 117.960 -1.104 17482 3167 1 6 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.666 0.126 17482 3168 1 6 . 1 1 33 33 ILE C C 33 177.519 177.519 178.009 -0.490 17482 3169 1 6 . 1 1 33 33 ILE CA C 33 64.019 64.019 64.912 -0.893 17482 3170 1 6 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.473 0.638 17482 3171 1 6 . 1 1 33 33 ILE H H 33 8.249 8.249 8.206 0.043 17482 3172 1 6 . 1 1 34 34 THR N N 34 114.203 114.203 115.667 -1.464 17482 3173 1 6 . 1 1 34 34 THR HA H 34 3.934 3.934 3.957 -0.023 17482 3174 1 6 . 1 1 34 34 THR C C 34 176.579 176.579 176.400 0.179 17482 3175 1 6 . 1 1 34 34 THR CA C 34 66.459 66.459 67.544 -1.085 17482 3176 1 6 . 1 1 34 34 THR CB C 34 68.845 68.845 68.591 0.255 17482 3177 1 6 . 1 1 34 34 THR H H 34 8.254 8.254 8.062 0.192 17482 3178 1 6 . 1 1 35 35 ASP N N 35 121.116 121.116 120.302 0.814 17482 3179 1 6 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.375 0.121 17482 3180 1 6 . 1 1 35 35 ASP C C 35 177.933 177.933 177.967 -0.034 17482 3181 1 6 . 1 1 35 35 ASP CA C 35 57.062 57.062 56.504 0.558 17482 3182 1 6 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.577 1.251 17482 3183 1 6 . 1 1 35 35 ASP H H 35 7.880 7.880 7.894 -0.014 17482 3184 1 6 . 1 1 36 36 LYS N N 36 116.457 116.457 119.408 -2.951 17482 3185 1 6 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.060 0.097 17482 3186 1 6 . 1 1 36 36 LYS C C 36 177.968 177.968 178.674 -0.706 17482 3187 1 6 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.899 -2.028 17482 3188 1 6 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.282 -0.369 17482 3189 1 6 . 1 1 36 36 LYS H H 36 7.677 7.677 7.304 0.373 17482 3190 1 6 . 1 1 37 37 ALA N N 37 121.588 121.588 121.260 0.328 17482 3191 1 6 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.110 -0.105 17482 3192 1 6 . 1 1 37 37 ALA C C 37 178.795 178.795 179.848 -1.053 17482 3193 1 6 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.964 0.367 17482 3194 1 6 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.201 0.273 17482 3195 1 6 . 1 1 37 37 ALA H H 37 8.296 8.296 8.019 0.277 17482 3196 1 6 . 1 1 38 38 ASP N N 38 116.490 116.490 118.693 -2.203 17482 3197 1 6 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.517 -0.108 17482 3198 1 6 . 1 1 38 38 ASP C C 38 178.347 178.347 178.457 -0.110 17482 3199 1 6 . 1 1 38 38 ASP CA C 38 56.729 56.729 56.766 -0.037 17482 3200 1 6 . 1 1 38 38 ASP CB C 38 41.048 41.048 40.957 0.091 17482 3201 1 6 . 1 1 38 38 ASP H H 38 8.046 8.046 7.612 0.434 17482 3202 1 6 . 1 1 39 39 LYS N N 39 118.627 118.627 120.596 -1.969 17482 3203 1 6 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.067 0.081 17482 3204 1 6 . 1 1 39 39 LYS C C 39 178.588 178.588 179.026 -0.438 17482 3205 1 6 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.623 -1.397 17482 3206 1 6 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.633 0.024 17482 3207 1 6 . 1 1 39 39 LYS H H 39 7.757 7.757 7.716 0.041 17482 3208 1 6 . 1 1 40 40 VAL N N 40 116.146 116.146 118.862 -2.716 17482 3209 1 6 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.690 0.219 17482 3210 1 6 . 1 1 40 40 VAL C C 40 176.683 176.683 177.104 -0.421 17482 3211 1 6 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.959 -1.551 17482 3212 1 6 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.858 0.476 17482 3213 1 6 . 1 1 40 40 VAL H H 40 7.792 7.792 8.038 -0.246 17482 3214 1 6 . 1 1 41 41 ALA N N 41 122.561 122.561 120.851 1.710 17482 3215 1 6 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.228 -0.105 17482 3216 1 6 . 1 1 41 41 ALA C C 41 179.106 179.106 179.721 -0.615 17482 3217 1 6 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.661 -0.132 17482 3218 1 6 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.315 0.286 17482 3219 1 6 . 1 1 41 41 ALA H H 41 8.094 8.094 7.472 0.622 17482 3220 1 6 . 1 1 42 42 GLY N N 42 105.072 105.072 106.561 -1.489 17482 3221 1 6 . 1 1 42 42 GLY C C 42 174.941 174.941 176.079 -1.138 17482 3222 1 6 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.441 -0.413 17482 3223 1 6 . 1 1 42 42 GLY H H 42 8.044 8.044 8.272 -0.228 17482 3224 1 6 . 1 1 43 43 LYS N N 43 119.123 119.123 119.535 -0.412 17482 3225 1 6 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.138 0.203 17482 3226 1 6 . 1 1 43 43 LYS C C 43 176.631 176.631 177.052 -0.421 17482 3227 1 6 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.934 -0.137 17482 3228 1 6 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.568 0.828 17482 3229 1 6 . 1 1 43 43 LYS H H 43 7.834 7.834 8.103 -0.269 17482 3230 1 6 . 1 1 44 44 VAL N N 44 116.413 116.413 119.427 -3.014 17482 3231 1 6 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.154 -0.008 17482 3232 1 6 . 1 1 44 44 VAL C C 44 175.018 175.018 174.622 0.396 17482 3233 1 6 . 1 1 44 44 VAL CA C 44 62.331 62.331 60.653 1.678 17482 3234 1 6 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.964 -0.323 17482 3235 1 6 . 1 1 44 44 VAL H H 44 7.650 7.650 7.154 0.496 17482 3236 1 6 . 1 1 45 45 GLN N N 45 122.078 122.078 122.890 -0.812 17482 3237 1 6 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.173 0.486 17482 3238 1 6 . 1 1 45 45 GLN CA C 45 53.664 53.664 55.543 -1.879 17482 3239 1 6 . 1 1 45 45 GLN CB C 45 29.329 29.329 27.976 1.353 17482 3240 1 6 . 1 1 45 45 GLN H H 45 8.154 8.154 8.610 -0.456 17482 3241 1 6 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.591 -0.158 17482 3242 1 6 . 1 1 46 46 PRO C C 46 177.329 177.329 177.016 0.313 17482 3243 1 6 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.587 1.167 17482 3244 1 6 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.403 -0.172 17482 3245 1 6 . 1 1 47 47 GLU N N 47 119.456 119.456 119.206 0.250 17482 3246 1 6 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.352 -0.141 17482 3247 1 6 . 1 1 47 47 GLU C C 47 176.484 176.484 175.627 0.857 17482 3248 1 6 . 1 1 47 47 GLU CA C 47 57.468 57.468 56.093 1.375 17482 3249 1 6 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.655 0.674 17482 3250 1 6 . 1 1 47 47 GLU H H 47 8.491 8.491 8.493 -0.002 17482 3251 1 6 . 1 1 48 48 ASP N N 48 119.108 119.108 117.600 1.508 17482 3252 1 6 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.338 0.247 17482 3253 1 6 . 1 1 48 48 ASP C C 48 175.863 175.863 175.527 0.336 17482 3254 1 6 . 1 1 48 48 ASP CA C 48 54.579 54.579 54.774 -0.195 17482 3255 1 6 . 1 1 48 48 ASP CB C 48 41.131 41.131 40.599 0.532 17482 3256 1 6 . 1 1 48 48 ASP H H 48 8.137 8.137 7.959 0.178 17482 3257 1 6 . 1 1 49 49 ASN N N 49 117.714 117.714 119.270 -1.556 17482 3258 1 6 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.573 0.092 17482 3259 1 6 . 1 1 49 49 ASN C C 49 174.975 174.975 174.958 0.017 17482 3260 1 6 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.824 -0.096 17482 3261 1 6 . 1 1 49 49 ASN CB C 49 39.131 39.131 39.120 0.011 17482 3262 1 6 . 1 1 49 49 ASN H H 49 8.173 8.173 8.379 -0.206 17482 3263 1 6 . 1 1 50 50 LYS N N 50 120.215 120.215 119.973 0.242 17482 3264 1 6 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.457 -0.149 17482 3265 1 6 . 1 1 50 50 LYS C C 50 176.950 176.950 176.298 0.652 17482 3266 1 6 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.327 0.501 17482 3267 1 6 . 1 1 50 50 LYS CB C 50 33.031 33.031 31.899 1.132 17482 3268 1 6 . 1 1 50 50 LYS H H 50 8.098 8.098 8.424 -0.326 17482 3269 1 6 . 1 1 51 51 GLY N N 51 109.286 109.286 113.968 -4.682 17482 3270 1 6 . 1 1 51 51 GLY C C 51 175.251 175.251 174.289 0.962 17482 3271 1 6 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.494 0.419 17482 3272 1 6 . 1 1 51 51 GLY H H 51 8.295 8.295 8.371 -0.076 17482 3273 1 6 . 1 1 52 52 VAL N N 52 119.528 119.528 123.959 -4.431 17482 3274 1 6 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.888 -0.024 17482 3275 1 6 . 1 1 52 52 VAL C C 52 176.372 176.372 177.002 -0.630 17482 3276 1 6 . 1 1 52 52 VAL CA C 52 64.346 64.346 63.580 0.766 17482 3277 1 6 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.794 0.435 17482 3278 1 6 . 1 1 52 52 VAL H H 52 7.940 7.940 8.498 -0.558 17482 3279 1 6 . 1 1 53 53 PHE N N 53 118.265 118.265 119.634 -1.369 17482 3280 1 6 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.153 0.440 17482 3281 1 6 . 1 1 53 53 PHE C C 53 176.441 176.441 178.515 -2.074 17482 3282 1 6 . 1 1 53 53 PHE CA C 53 58.676 58.676 61.089 -2.413 17482 3283 1 6 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.356 0.279 17482 3284 1 6 . 1 1 53 53 PHE H H 53 8.046 8.046 8.307 -0.261 17482 3285 1 6 . 1 1 54 54 GLN N N 54 119.441 119.441 118.319 1.122 17482 3286 1 6 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.108 0.063 17482 3287 1 6 . 1 1 54 54 GLN C C 54 177.166 177.166 178.834 -1.668 17482 3288 1 6 . 1 1 54 54 GLN CA C 54 57.549 57.549 58.724 -1.175 17482 3289 1 6 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.385 1.114 17482 3290 1 6 . 1 1 54 54 GLN H H 54 7.978 7.978 8.303 -0.325 17482 3291 1 6 . 1 1 55 55 GLY N N 55 107.822 107.822 108.432 -0.610 17482 3292 1 6 . 1 1 55 55 GLY C C 55 175.294 175.294 175.581 -0.287 17482 3293 1 6 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.809 -0.621 17482 3294 1 6 . 1 1 55 55 GLY H H 55 8.120 8.120 8.022 0.098 17482 3295 1 6 . 1 1 56 56 VAL N N 56 119.174 119.174 122.265 -3.091 17482 3296 1 6 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.616 0.356 17482 3297 1 6 . 1 1 56 56 VAL C C 56 176.527 176.527 176.764 -0.237 17482 3298 1 6 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.462 -1.458 17482 3299 1 6 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.730 0.462 17482 3300 1 6 . 1 1 56 56 VAL H H 56 7.774 7.774 7.801 -0.027 17482 3301 1 6 . 1 1 57 57 HIS N N 57 119.221 119.221 118.627 0.594 17482 3302 1 6 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.443 0.099 17482 3303 1 6 . 1 1 57 57 HIS CA C 57 56.973 56.973 58.688 -1.715 17482 3304 1 6 . 1 1 57 57 HIS CB C 57 29.608 29.608 29.945 -0.337 17482 3305 1 6 . 1 1 57 57 HIS H H 57 8.201 8.201 8.254 -0.053 17482 3306 1 6 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.373 0.207 17482 3307 1 6 . 1 1 58 58 ASP C C 58 177.097 177.097 177.564 -0.467 17482 3308 1 6 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.363 -1.342 17482 3309 1 6 . 1 1 58 58 ASP CB C 58 41.236 41.236 41.288 -0.052 17482 3310 1 6 . 1 1 59 59 SER N N 59 116.347 116.347 116.628 -0.281 17482 3311 1 6 . 1 1 59 59 SER HA H 59 4.372 4.372 4.158 0.214 17482 3312 1 6 . 1 1 59 59 SER C C 59 175.087 175.087 175.891 -0.804 17482 3313 1 6 . 1 1 59 59 SER CA C 59 59.207 59.207 61.192 -1.985 17482 3314 1 6 . 1 1 59 59 SER CB C 59 63.780 63.780 63.163 0.617 17482 3315 1 6 . 1 1 59 59 SER H H 59 8.134 8.134 8.387 -0.253 17482 3316 1 6 . 1 1 60 60 ALA N N 60 125.097 125.097 122.782 2.315 17482 3317 1 6 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.053 0.200 17482 3318 1 6 . 1 1 60 60 ALA C C 60 178.192 178.192 178.817 -0.625 17482 3319 1 6 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.294 -0.733 17482 3320 1 6 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.673 0.405 17482 3321 1 6 . 1 1 60 60 ALA H H 60 8.203 8.203 8.041 0.162 17482 3322 1 6 . 1 1 61 61 GLU N N 61 118.432 118.432 117.180 1.252 17482 3323 1 6 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.345 -0.145 17482 3324 1 6 . 1 1 61 61 GLU C C 61 177.036 177.036 176.979 0.057 17482 3325 1 6 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.008 0.216 17482 3326 1 6 . 1 1 61 61 GLU CB C 61 30.228 30.228 30.392 -0.164 17482 3327 1 6 . 1 1 61 61 GLU H H 61 8.095 8.095 7.940 0.155 17482 3328 1 6 . 1 1 62 62 LYS N N 62 120.770 120.770 118.947 1.823 17482 3329 1 6 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.359 -0.062 17482 3330 1 6 . 1 1 62 62 LYS C C 62 177.450 177.450 175.524 1.926 17482 3331 1 6 . 1 1 62 62 LYS CA C 62 56.826 56.826 55.962 0.864 17482 3332 1 6 . 1 1 62 62 LYS CB C 62 32.943 32.943 33.867 -0.924 17482 3333 1 6 . 1 1 62 62 LYS H H 62 7.969 7.969 7.448 0.521 17482 3334 1 6 . 1 1 63 63 GLY N N 63 108.912 108.912 109.122 -0.210 17482 3335 1 6 . 1 1 63 63 GLY C C 63 174.432 174.432 173.691 0.741 17482 3336 1 6 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.671 1.080 17482 3337 1 6 . 1 1 63 63 GLY H H 63 8.287 8.287 8.237 0.050 17482 3338 1 6 . 1 1 64 64 LYS N N 64 120.529 120.529 120.667 -0.138 17482 3339 1 6 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.827 -0.529 17482 3340 1 6 . 1 1 64 64 LYS C C 64 176.622 176.622 176.053 0.569 17482 3341 1 6 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.214 0.517 17482 3342 1 6 . 1 1 64 64 LYS CB C 64 33.117 33.117 33.900 -0.783 17482 3343 1 6 . 1 1 64 64 LYS H H 64 8.019 8.019 8.439 -0.420 17482 3344 1 6 . 1 1 65 65 ASP N N 65 120.673 120.673 119.152 1.521 17482 3345 1 6 . 1 1 65 65 ASP HA H 65 4.580 4.580 5.025 -0.445 17482 3346 1 6 . 1 1 65 65 ASP C C 65 176.226 176.226 175.482 0.744 17482 3347 1 6 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.545 1.238 17482 3348 1 6 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.254 -1.082 17482 3349 1 6 . 1 1 65 65 ASP H H 65 8.296 8.296 8.424 -0.128 17482 3350 1 6 . 1 1 66 66 ASN N N 66 118.902 118.902 116.990 1.912 17482 3351 1 6 . 1 1 66 66 ASN HA H 66 4.690 4.690 5.394 -0.704 17482 3352 1 6 . 1 1 66 66 ASN C C 66 175.217 175.217 173.618 1.599 17482 3353 1 6 . 1 1 66 66 ASN CA C 66 53.475 53.475 52.634 0.841 17482 3354 1 6 . 1 1 66 66 ASN CB C 66 39.117 39.117 40.492 -1.375 17482 3355 1 6 . 1 1 66 66 ASN H H 66 8.212 8.212 8.698 -0.486 17482 3356 1 6 . 1 1 67 67 ALA N N 67 124.149 124.149 122.683 1.466 17482 3357 1 6 . 1 1 67 67 ALA HA H 67 4.300 4.300 5.029 -0.729 17482 3358 1 6 . 1 1 67 67 ALA C C 67 177.890 177.890 176.784 1.106 17482 3359 1 6 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.326 0.727 17482 3360 1 6 . 1 1 67 67 ALA CB C 67 19.427 19.427 21.038 -1.611 17482 3361 1 6 . 1 1 67 67 ALA H H 67 8.212 8.212 8.629 -0.417 17482 3362 1 6 . 1 1 68 68 GLU N N 68 119.216 119.216 118.116 1.100 17482 3363 1 6 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.777 -0.506 17482 3364 1 6 . 1 1 68 68 GLU C C 68 177.243 177.243 176.940 0.303 17482 3365 1 6 . 1 1 68 68 GLU CA C 68 56.797 56.797 57.238 -0.441 17482 3366 1 6 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.960 -0.801 17482 3367 1 6 . 1 1 68 68 GLU H H 68 8.286 8.286 9.436 -1.150 17482 3368 1 6 . 1 1 69 69 GLY N N 69 109.637 109.637 109.072 0.565 17482 3369 1 6 . 1 1 69 69 GLY C C 69 174.371 174.371 173.077 1.294 17482 3370 1 6 . 1 1 69 69 GLY CA C 69 45.634 45.634 44.681 0.953 17482 3371 1 6 . 1 1 69 69 GLY H H 69 8.293 8.293 8.094 0.199 17482 3372 1 6 . 1 1 70 70 GLN N N 70 119.629 119.629 119.036 0.593 17482 3373 1 6 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.621 -0.228 17482 3374 1 6 . 1 1 70 70 GLN C C 70 176.502 176.502 175.934 0.568 17482 3375 1 6 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.628 0.418 17482 3376 1 6 . 1 1 70 70 GLN CB C 70 29.627 29.627 31.523 -1.896 17482 3377 1 6 . 1 1 70 70 GLN H H 70 8.201 8.201 8.416 -0.215 17482 3378 1 6 . 1 1 71 71 GLY N N 71 109.977 109.977 109.533 0.444 17482 3379 1 6 . 1 1 71 71 GLY C C 71 173.992 173.992 173.501 0.491 17482 3380 1 6 . 1 1 71 71 GLY CA C 71 45.634 45.634 45.191 0.443 17482 3381 1 6 . 1 1 71 71 GLY H H 71 8.424 8.424 8.635 -0.211 17482 3382 1 6 . 1 1 72 72 GLU N N 72 120.532 120.532 121.727 -1.195 17482 3383 1 6 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.348 0.063 17482 3384 1 6 . 1 1 72 72 GLU C C 72 176.639 176.639 175.112 1.527 17482 3385 1 6 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.115 0.503 17482 3386 1 6 . 1 1 72 72 GLU CB C 72 30.731 30.731 29.716 1.015 17482 3387 1 6 . 1 1 72 72 GLU H H 72 8.244 8.244 8.809 -0.565 17482 3388 1 6 . 1 1 73 73 SER N N 73 117.827 117.827 115.525 2.302 17482 3389 1 6 . 1 1 73 73 SER HA H 73 4.589 4.589 4.505 0.084 17482 3390 1 6 . 1 1 73 73 SER C C 73 175.475 175.475 173.928 1.547 17482 3391 1 6 . 1 1 73 73 SER CA C 73 58.064 58.064 57.651 0.412 17482 3392 1 6 . 1 1 73 73 SER CB C 73 64.761 64.761 64.530 0.231 17482 3393 1 6 . 1 1 73 73 SER H H 73 8.689 8.689 8.204 0.485 17482 3394 1 6 . 1 1 74 74 LEU N N 74 124.414 124.414 125.873 -1.459 17482 3395 1 6 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.087 0.114 17482 3396 1 6 . 1 1 74 74 LEU C C 74 178.735 178.735 177.764 0.971 17482 3397 1 6 . 1 1 74 74 LEU CA C 74 57.895 57.895 56.865 1.030 17482 3398 1 6 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.596 0.338 17482 3399 1 6 . 1 1 74 74 LEU H H 74 8.514 8.514 8.587 -0.073 17482 3400 1 6 . 1 1 75 75 ALA N N 75 120.291 120.291 120.216 0.075 17482 3401 1 6 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.981 0.009 17482 3402 1 6 . 1 1 75 75 ALA C C 75 179.046 179.046 180.030 -0.984 17482 3403 1 6 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.941 0.326 17482 3404 1 6 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.720 0.874 17482 3405 1 6 . 1 1 75 75 ALA H H 75 8.160 8.160 8.312 -0.152 17482 3406 1 6 . 1 1 76 76 ASP N N 76 117.288 117.288 117.634 -0.346 17482 3407 1 6 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.493 -0.087 17482 3408 1 6 . 1 1 76 76 ASP C C 76 178.476 178.476 178.708 -0.232 17482 3409 1 6 . 1 1 76 76 ASP CA C 76 57.133 57.133 57.207 -0.074 17482 3410 1 6 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.015 -0.363 17482 3411 1 6 . 1 1 76 76 ASP H H 76 7.773 7.773 8.221 -0.448 17482 3412 1 6 . 1 1 77 77 GLN N N 77 119.454 119.454 119.132 0.322 17482 3413 1 6 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.198 -0.036 17482 3414 1 6 . 1 1 77 77 GLN C C 77 178.037 178.037 178.378 -0.341 17482 3415 1 6 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.569 -0.188 17482 3416 1 6 . 1 1 77 77 GLN CB C 77 29.480 29.480 29.096 0.384 17482 3417 1 6 . 1 1 77 77 GLN H H 77 7.994 7.994 7.853 0.141 17482 3418 1 6 . 1 1 78 78 ALA N N 78 121.577 121.577 122.090 -0.513 17482 3419 1 6 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.198 -0.049 17482 3420 1 6 . 1 1 78 78 ALA C C 78 178.977 178.977 179.482 -0.505 17482 3421 1 6 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.014 0.117 17482 3422 1 6 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.517 0.138 17482 3423 1 6 . 1 1 78 78 ALA H H 78 8.498 8.498 8.496 0.002 17482 3424 1 6 . 1 1 79 79 ARG N N 79 117.138 117.138 119.182 -2.044 17482 3425 1 6 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.082 -0.070 17482 3426 1 6 . 1 1 79 79 ARG C C 79 175.449 175.449 177.864 -2.415 17482 3427 1 6 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.427 0.076 17482 3428 1 6 . 1 1 79 79 ARG CB C 79 30.146 30.146 30.338 -0.192 17482 3429 1 6 . 1 1 79 79 ARG H H 79 8.101 8.101 8.027 0.074 17482 3430 1 6 . 1 1 80 80 ASP N N 80 120.784 120.784 119.289 1.495 17482 3431 1 6 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.356 0.157 17482 3432 1 6 . 1 1 80 80 ASP C C 80 178.882 178.882 178.870 0.012 17482 3433 1 6 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.932 -1.056 17482 3434 1 6 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.772 -0.444 17482 3435 1 6 . 1 1 80 80 ASP H H 80 8.000 8.000 8.000 0.000 17482 3436 1 6 . 1 1 81 81 TYR N N 81 120.298 120.298 119.448 0.850 17482 3437 1 6 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.289 0.142 17482 3438 1 6 . 1 1 81 81 TYR C C 81 177.855 177.855 177.923 -0.068 17482 3439 1 6 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.945 -0.111 17482 3440 1 6 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.598 -0.120 17482 3441 1 6 . 1 1 81 81 TYR H H 81 8.127 8.127 7.676 0.451 17482 3442 1 6 . 1 1 82 82 MET N N 82 118.452 118.452 118.325 0.127 17482 3443 1 6 . 1 1 82 82 MET HA H 82 4.239 4.239 4.116 0.123 17482 3444 1 6 . 1 1 82 82 MET C C 82 178.175 178.175 178.989 -0.814 17482 3445 1 6 . 1 1 82 82 MET CA C 82 58.757 58.757 58.804 -0.047 17482 3446 1 6 . 1 1 82 82 MET CB C 82 32.631 32.631 32.361 0.270 17482 3447 1 6 . 1 1 82 82 MET H H 82 8.382 8.382 8.073 0.309 17482 3448 1 6 . 1 1 83 83 GLY N N 83 106.740 106.740 105.526 1.214 17482 3449 1 6 . 1 1 83 83 GLY C C 83 176.717 176.717 175.209 1.508 17482 3450 1 6 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.222 0.109 17482 3451 1 6 . 1 1 83 83 GLY H H 83 8.308 8.308 8.646 -0.338 17482 3452 1 6 . 1 1 84 84 ALA N N 84 125.357 125.357 124.107 1.250 17482 3453 1 6 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.064 0.223 17482 3454 1 6 . 1 1 84 84 ALA C C 84 180.149 180.149 179.353 0.796 17482 3455 1 6 . 1 1 84 84 ALA CA C 84 54.648 54.648 55.068 -0.420 17482 3456 1 6 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.220 0.322 17482 3457 1 6 . 1 1 84 84 ALA H H 84 7.905 7.905 7.693 0.212 17482 3458 1 6 . 1 1 85 85 ALA N N 85 121.332 121.332 120.255 1.077 17482 3459 1 6 . 1 1 85 85 ALA HA H 85 4.025 4.025 4.052 -0.027 17482 3460 1 6 . 1 1 85 85 ALA C C 85 178.847 178.847 179.713 -0.866 17482 3461 1 6 . 1 1 85 85 ALA CA C 85 55.283 55.283 55.338 -0.055 17482 3462 1 6 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.158 0.329 17482 3463 1 6 . 1 1 85 85 ALA H H 85 8.341 8.341 7.962 0.379 17482 3464 1 6 . 1 1 86 86 LYS N N 86 116.980 116.980 118.813 -1.833 17482 3465 1 6 . 1 1 86 86 LYS HA H 86 3.872 3.872 4.031 -0.159 17482 3466 1 6 . 1 1 86 86 LYS C C 86 178.485 178.485 179.137 -0.652 17482 3467 1 6 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.058 1.135 17482 3468 1 6 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.665 0.666 17482 3469 1 6 . 1 1 86 86 LYS H H 86 8.360 8.360 7.411 0.949 17482 3470 1 6 . 1 1 87 87 SER N N 87 113.632 113.632 115.215 -1.583 17482 3471 1 6 . 1 1 87 87 SER HA H 87 4.299 4.299 4.106 0.193 17482 3472 1 6 . 1 1 87 87 SER C C 87 176.467 176.467 176.674 -0.207 17482 3473 1 6 . 1 1 87 87 SER CA C 87 61.614 61.614 62.075 -0.462 17482 3474 1 6 . 1 1 87 87 SER CB C 87 63.064 63.064 63.007 0.057 17482 3475 1 6 . 1 1 87 87 SER H H 87 7.863 7.863 7.887 -0.024 17482 3476 1 6 . 1 1 88 88 LYS N N 88 120.925 120.925 121.257 -0.332 17482 3477 1 6 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.039 0.306 17482 3478 1 6 . 1 1 88 88 LYS C C 88 178.502 178.502 178.934 -0.432 17482 3479 1 6 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.648 -0.952 17482 3480 1 6 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.261 -0.250 17482 3481 1 6 . 1 1 88 88 LYS H H 88 7.843 7.843 7.930 -0.087 17482 3482 1 6 . 1 1 89 89 LEU N N 89 119.955 119.955 121.782 -1.827 17482 3483 1 6 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.939 0.166 17482 3484 1 6 . 1 1 89 89 LEU C C 89 178.209 178.209 178.504 -0.295 17482 3485 1 6 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.946 0.251 17482 3486 1 6 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.578 0.054 17482 3487 1 6 . 1 1 89 89 LEU H H 89 8.174 8.174 8.478 -0.304 17482 3488 1 6 . 1 1 90 90 ASN N N 90 117.013 117.013 116.389 0.624 17482 3489 1 6 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.376 0.017 17482 3490 1 6 . 1 1 90 90 ASN C C 90 174.164 174.164 177.772 -3.608 17482 3491 1 6 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.806 0.360 17482 3492 1 6 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.151 0.801 17482 3493 1 6 . 1 1 90 90 ASN H H 90 8.223 8.223 8.235 -0.012 17482 3494 1 6 . 1 1 91 91 ASP N N 91 119.959 119.959 119.296 0.663 17482 3495 1 6 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.429 0.028 17482 3496 1 6 . 1 1 91 91 ASP C C 91 178.804 178.804 177.407 1.397 17482 3497 1 6 . 1 1 91 91 ASP CA C 91 57.438 57.438 56.979 0.459 17482 3498 1 6 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.854 -0.675 17482 3499 1 6 . 1 1 91 91 ASP H H 91 8.043 8.043 7.484 0.559 17482 3500 1 6 . 1 1 92 92 ALA N N 92 123.900 123.900 122.521 1.379 17482 3501 1 6 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.285 -0.082 17482 3502 1 6 . 1 1 92 92 ALA C C 92 178.951 178.951 179.624 -0.673 17482 3503 1 6 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.986 0.551 17482 3504 1 6 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.765 -0.261 17482 3505 1 6 . 1 1 92 92 ALA H H 92 8.256 8.256 7.629 0.627 17482 3506 1 6 . 1 1 93 93 VAL N N 93 118.228 118.228 119.584 -1.356 17482 3507 1 6 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.558 0.036 17482 3508 1 6 . 1 1 93 93 VAL C C 93 178.761 178.761 178.122 0.639 17482 3509 1 6 . 1 1 93 93 VAL CA C 93 67.157 67.157 66.763 0.395 17482 3510 1 6 . 1 1 93 93 VAL CB C 93 31.795 31.795 30.435 1.360 17482 3511 1 6 . 1 1 93 93 VAL H H 93 8.449 8.449 8.687 -0.238 17482 3512 1 6 . 1 1 94 94 GLU N N 94 120.485 120.485 119.432 1.053 17482 3513 1 6 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.965 0.080 17482 3514 1 6 . 1 1 94 94 GLU C C 94 179.347 179.347 179.372 -0.025 17482 3515 1 6 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.092 -0.461 17482 3516 1 6 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.541 -0.010 17482 3517 1 6 . 1 1 94 94 GLU H H 94 8.175 8.175 7.865 0.310 17482 3518 1 6 . 1 1 95 95 TYR N N 95 120.806 120.806 119.726 1.080 17482 3519 1 6 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.296 -0.068 17482 3520 1 6 . 1 1 95 95 TYR C C 95 178.407 178.407 177.620 0.787 17482 3521 1 6 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.196 0.365 17482 3522 1 6 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.614 0.017 17482 3523 1 6 . 1 1 95 95 TYR H H 95 8.197 8.197 7.384 0.813 17482 3524 1 6 . 1 1 96 96 VAL N N 96 118.584 118.584 119.543 -0.959 17482 3525 1 6 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.653 -0.170 17482 3526 1 6 . 1 1 96 96 VAL C C 96 177.752 177.752 178.153 -0.401 17482 3527 1 6 . 1 1 96 96 VAL CA C 96 66.680 66.680 66.204 0.476 17482 3528 1 6 . 1 1 96 96 VAL CB C 96 32.022 32.022 30.814 1.208 17482 3529 1 6 . 1 1 96 96 VAL H H 96 8.525 8.525 8.522 0.003 17482 3530 1 6 . 1 1 97 97 SER N N 97 114.566 114.566 115.111 -0.545 17482 3531 1 6 . 1 1 97 97 SER HA H 97 4.080 4.080 4.183 -0.103 17482 3532 1 6 . 1 1 97 97 SER C C 97 176.803 176.803 177.139 -0.336 17482 3533 1 6 . 1 1 97 97 SER CA C 97 61.800 61.800 61.873 -0.073 17482 3534 1 6 . 1 1 97 97 SER CB C 97 63.258 63.258 62.806 0.452 17482 3535 1 6 . 1 1 97 97 SER H H 97 8.642 8.642 8.888 -0.246 17482 3536 1 6 . 1 1 98 98 GLY N N 98 107.586 107.586 107.005 0.581 17482 3537 1 6 . 1 1 98 98 GLY C C 98 175.553 175.553 174.749 0.804 17482 3538 1 6 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.808 0.748 17482 3539 1 6 . 1 1 98 98 GLY H H 98 7.926 7.926 7.629 0.297 17482 3540 1 6 . 1 1 99 99 ARG N N 99 119.948 119.948 119.314 0.634 17482 3541 1 6 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.214 -0.011 17482 3542 1 6 . 1 1 99 99 ARG C C 99 177.830 177.830 178.237 -0.407 17482 3543 1 6 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.358 -0.229 17482 3544 1 6 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.825 -0.613 17482 3545 1 6 . 1 1 99 99 ARG H H 99 7.611 7.611 7.456 0.155 17482 3546 1 6 . 1 1 100 100 VAL N N 100 116.709 116.709 117.538 -0.829 17482 3547 1 6 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.746 0.194 17482 3548 1 6 . 1 1 100 100 VAL C C 100 176.381 176.381 176.864 -0.483 17482 3549 1 6 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.410 -1.479 17482 3550 1 6 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.904 0.427 17482 3551 1 6 . 1 1 100 100 VAL H H 100 7.906 7.906 8.182 -0.276 17482 3552 1 6 . 1 1 101 101 HIS N N 101 117.584 117.584 117.163 0.421 17482 3553 1 6 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.730 0.045 17482 3554 1 6 . 1 1 101 101 HIS C C 101 175.484 175.484 174.244 1.240 17482 3555 1 6 . 1 1 101 101 HIS CA C 101 55.862 55.862 55.329 0.533 17482 3556 1 6 . 1 1 101 101 HIS CB C 101 29.517 29.517 33.198 -3.681 17482 3557 1 6 . 1 1 101 101 HIS H H 101 8.061 8.061 7.550 0.511 17482 3558 1 6 . 1 1 102 102 GLY N N 102 109.164 109.164 107.811 1.353 17482 3559 1 6 . 1 1 102 102 GLY C C 102 174.121 174.121 172.765 1.356 17482 3560 1 6 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.205 0.515 17482 3561 1 6 . 1 1 102 102 GLY H H 102 7.990 7.990 8.471 -0.481 17482 3562 1 6 . 1 1 103 103 GLU N N 103 120.493 120.493 119.346 1.147 17482 3563 1 6 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.762 -0.447 17482 3564 1 6 . 1 1 103 103 GLU C C 103 176.467 176.467 174.958 1.509 17482 3565 1 6 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.757 0.694 17482 3566 1 6 . 1 1 103 103 GLU CB C 103 30.731 30.731 32.115 -1.384 17482 3567 1 6 . 1 1 103 103 GLU H H 103 8.320 8.320 8.452 -0.132 17482 3568 1 6 . 1 1 104 104 GLU N N 104 122.018 122.018 119.749 2.269 17482 3569 1 6 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.374 -0.111 17482 3570 1 6 . 1 1 104 104 GLU C C 104 175.820 175.820 174.570 1.250 17482 3571 1 6 . 1 1 104 104 GLU CA C 104 56.480 56.480 55.884 0.596 17482 3572 1 6 . 1 1 104 104 GLU CB C 104 30.654 30.654 31.379 -0.725 17482 3573 1 6 . 1 1 104 104 GLU H H 104 8.358 8.358 8.487 -0.129 17482 3574 1 6 . 1 1 105 105 ASP N N 105 122.625 122.625 121.964 0.661 17482 3575 1 6 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.712 0.186 17482 3576 1 6 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.343 -1.615 17482 3577 1 6 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.323 0.291 17482 3578 1 6 . 1 1 105 105 ASP H H 105 8.350 8.350 8.343 0.007 17482 3579 1 6 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.355 0.111 17482 3580 1 6 . 1 1 106 106 PRO C C 106 177.605 177.605 176.809 0.796 17482 3581 1 6 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.593 0.328 17482 3582 1 6 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.045 0.251 17482 3583 1 6 . 1 1 107 107 THR N N 107 111.954 111.954 113.174 -1.220 17482 3584 1 6 . 1 1 107 107 THR HA H 107 4.281 4.281 4.032 0.249 17482 3585 1 6 . 1 1 107 107 THR C C 107 174.889 174.889 173.641 1.248 17482 3586 1 6 . 1 1 107 107 THR CA C 107 62.896 62.896 62.167 0.729 17482 3587 1 6 . 1 1 107 107 THR CB C 107 69.593 69.593 68.565 1.028 17482 3588 1 6 . 1 1 107 107 THR H H 107 8.355 8.355 7.829 0.526 17482 3589 1 6 . 1 1 108 108 LYS N N 108 123.177 123.177 122.020 1.157 17482 3590 1 6 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.411 -0.056 17482 3591 1 6 . 1 1 108 108 LYS C C 108 175.406 175.406 175.769 -0.363 17482 3592 1 6 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.602 0.650 17482 3593 1 6 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.744 -0.780 17482 3594 1 6 . 1 1 108 108 LYS H H 108 7.739 7.739 8.355 -0.616 17482 3595 1 7 . 1 1 2 2 SER HA H 2 4.546 4.546 4.523 0.023 17482 3596 1 7 . 1 1 2 2 SER CA C 2 58.499 58.499 59.224 -0.725 17482 3597 1 7 . 1 1 2 2 SER CB C 2 64.011 64.011 63.626 0.386 17482 3598 1 7 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.494 0.108 17482 3599 1 7 . 1 1 3 3 ASP C C 3 176.010 176.010 174.725 1.285 17482 3600 1 7 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.872 -0.136 17482 3601 1 7 . 1 1 3 3 ASP CB C 3 41.269 41.269 40.123 1.146 17482 3602 1 7 . 1 1 4 4 ALA N N 4 123.253 123.253 124.040 -0.787 17482 3603 1 7 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.481 -0.155 17482 3604 1 7 . 1 1 4 4 ALA C C 4 178.097 178.097 176.708 1.389 17482 3605 1 7 . 1 1 4 4 ALA CA C 4 52.847 52.847 51.907 0.940 17482 3606 1 7 . 1 1 4 4 ALA CB C 4 19.323 19.323 21.118 -1.795 17482 3607 1 7 . 1 1 4 4 ALA H H 4 8.095 8.095 7.982 0.113 17482 3608 1 7 . 1 1 5 5 GLY N N 5 107.651 107.651 109.759 -2.108 17482 3609 1 7 . 1 1 5 5 GLY C C 5 174.828 174.828 174.403 0.425 17482 3610 1 7 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.452 0.996 17482 3611 1 7 . 1 1 5 5 GLY H H 5 8.167 8.167 8.328 -0.161 17482 3612 1 7 . 1 1 6 6 ARG N N 6 120.230 120.230 118.535 1.695 17482 3613 1 7 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.093 0.256 17482 3614 1 7 . 1 1 6 6 ARG C C 6 176.562 176.562 175.486 1.076 17482 3615 1 7 . 1 1 6 6 ARG CA C 6 56.399 56.399 58.436 -2.037 17482 3616 1 7 . 1 1 6 6 ARG CB C 6 30.831 30.831 29.233 1.598 17482 3617 1 7 . 1 1 6 6 ARG H H 6 8.060 8.060 8.693 -0.633 17482 3618 1 7 . 1 1 7 7 LYS N N 7 121.076 121.076 117.654 3.422 17482 3619 1 7 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.470 -0.213 17482 3620 1 7 . 1 1 7 7 LYS C C 7 177.010 177.010 176.559 0.451 17482 3621 1 7 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.271 0.649 17482 3622 1 7 . 1 1 7 7 LYS CB C 7 32.831 32.831 34.091 -1.260 17482 3623 1 7 . 1 1 7 7 LYS H H 7 8.181 8.181 7.525 0.656 17482 3624 1 7 . 1 1 8 8 GLY N N 8 108.196 108.196 112.710 -4.514 17482 3625 1 7 . 1 1 8 8 GLY C C 8 174.828 174.828 175.535 -0.707 17482 3626 1 7 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.779 -0.950 17482 3627 1 7 . 1 1 8 8 GLY H H 8 8.141 8.141 8.912 -0.771 17482 3628 1 7 . 1 1 9 9 PHE N N 9 120.374 120.374 122.321 -1.947 17482 3629 1 7 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.753 -0.361 17482 3630 1 7 . 1 1 9 9 PHE C C 9 176.898 176.898 176.920 -0.022 17482 3631 1 7 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.711 1.269 17482 3632 1 7 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.086 0.467 17482 3633 1 7 . 1 1 9 9 PHE H H 9 8.072 8.072 8.342 -0.270 17482 3634 1 7 . 1 1 10 10 GLY N N 10 107.944 107.944 108.257 -0.313 17482 3635 1 7 . 1 1 10 10 GLY C C 10 175.441 175.441 175.654 -0.213 17482 3636 1 7 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.108 -0.286 17482 3637 1 7 . 1 1 10 10 GLY H H 10 8.431 8.431 8.449 -0.018 17482 3638 1 7 . 1 1 11 11 GLU N N 11 121.098 121.098 120.989 0.109 17482 3639 1 7 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.041 0.059 17482 3640 1 7 . 1 1 11 11 GLU C C 11 175.234 175.234 179.015 -3.781 17482 3641 1 7 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.433 -0.462 17482 3642 1 7 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.096 0.801 17482 3643 1 7 . 1 1 11 11 GLU H H 11 8.003 8.003 8.883 -0.880 17482 3644 1 7 . 1 1 12 12 LYS N N 12 119.103 119.103 119.039 0.064 17482 3645 1 7 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.171 -0.027 17482 3646 1 7 . 1 1 12 12 LYS C C 12 178.520 178.520 178.704 -0.184 17482 3647 1 7 . 1 1 12 12 LYS CA C 12 58.337 58.337 57.627 0.710 17482 3648 1 7 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.784 0.610 17482 3649 1 7 . 1 1 12 12 LYS H H 12 7.930 7.930 7.644 0.286 17482 3650 1 7 . 1 1 13 13 ALA N N 13 121.534 121.534 122.914 -1.380 17482 3651 1 7 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.909 0.102 17482 3652 1 7 . 1 1 13 13 ALA C C 13 178.364 178.364 179.827 -1.463 17482 3653 1 7 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.254 -0.526 17482 3654 1 7 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.850 0.610 17482 3655 1 7 . 1 1 13 13 ALA H H 13 8.216 8.216 8.319 -0.103 17482 3656 1 7 . 1 1 14 14 SER N N 14 111.263 111.263 112.228 -0.965 17482 3657 1 7 . 1 1 14 14 SER HA H 14 4.114 4.114 4.130 -0.016 17482 3658 1 7 . 1 1 14 14 SER C C 14 176.148 176.148 176.920 -0.772 17482 3659 1 7 . 1 1 14 14 SER CA C 14 61.159 61.159 61.713 -0.554 17482 3660 1 7 . 1 1 14 14 SER CB C 14 63.250 63.250 63.066 0.184 17482 3661 1 7 . 1 1 14 14 SER H H 14 8.000 8.000 8.166 -0.166 17482 3662 1 7 . 1 1 15 15 GLU N N 15 119.902 119.902 120.809 -0.907 17482 3663 1 7 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.132 0.034 17482 3664 1 7 . 1 1 15 15 GLU C C 15 177.493 177.493 178.025 -0.532 17482 3665 1 7 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.716 -0.703 17482 3666 1 7 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.648 0.294 17482 3667 1 7 . 1 1 15 15 GLU H H 15 7.724 7.724 7.430 0.294 17482 3668 1 7 . 1 1 16 16 ALA N N 16 120.687 120.687 121.815 -1.128 17482 3669 1 7 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.040 0.221 17482 3670 1 7 . 1 1 16 16 ALA C C 16 177.933 177.933 179.172 -1.239 17482 3671 1 7 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.807 -1.032 17482 3672 1 7 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.053 0.491 17482 3673 1 7 . 1 1 16 16 ALA H H 16 7.726 7.726 8.183 -0.457 17482 3674 1 7 . 1 1 17 17 LEU N N 17 116.559 116.559 115.624 0.935 17482 3675 1 7 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.345 0.014 17482 3676 1 7 . 1 1 17 17 LEU C C 17 176.277 176.277 177.457 -1.180 17482 3677 1 7 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.413 -1.479 17482 3678 1 7 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.677 0.887 17482 3679 1 7 . 1 1 17 17 LEU H H 17 7.634 7.634 7.565 0.069 17482 3680 1 7 . 1 1 18 18 LYS N N 18 120.269 120.269 120.110 0.159 17482 3681 1 7 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.207 0.360 17482 3682 1 7 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.746 -1.258 17482 3683 1 7 . 1 1 18 18 LYS CB C 18 32.520 32.520 31.985 0.535 17482 3684 1 7 . 1 1 18 18 LYS H H 18 7.761 7.761 7.583 0.178 17482 3685 1 7 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.434 0.009 17482 3686 1 7 . 1 1 19 19 PRO C C 19 176.984 176.984 176.167 0.817 17482 3687 1 7 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.798 1.035 17482 3688 1 7 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.049 0.198 17482 3689 1 7 . 1 1 20 20 ASP N N 20 119.103 119.103 119.204 -0.101 17482 3690 1 7 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.512 0.090 17482 3691 1 7 . 1 1 20 20 ASP C C 20 176.639 176.639 176.185 0.454 17482 3692 1 7 . 1 1 20 20 ASP CA C 20 54.497 54.497 55.828 -1.331 17482 3693 1 7 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.283 -0.052 17482 3694 1 7 . 1 1 20 20 ASP H H 20 8.383 8.383 8.439 -0.056 17482 3695 1 7 . 1 1 21 21 SER N N 21 115.970 115.970 114.544 1.426 17482 3696 1 7 . 1 1 21 21 SER HA H 21 4.376 4.376 4.553 -0.177 17482 3697 1 7 . 1 1 21 21 SER C C 21 174.889 174.889 173.441 1.448 17482 3698 1 7 . 1 1 21 21 SER CA C 21 59.093 59.093 57.531 1.562 17482 3699 1 7 . 1 1 21 21 SER CB C 21 63.860 63.860 64.888 -1.028 17482 3700 1 7 . 1 1 21 21 SER H H 21 8.054 8.054 8.079 -0.025 17482 3701 1 7 . 1 1 22 22 GLN N N 22 120.766 120.766 120.019 0.747 17482 3702 1 7 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.291 -0.013 17482 3703 1 7 . 1 1 22 22 GLN C C 22 175.984 175.984 175.628 0.356 17482 3704 1 7 . 1 1 22 22 GLN CA C 22 56.739 56.739 55.866 0.873 17482 3705 1 7 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.132 0.059 17482 3706 1 7 . 1 1 22 22 GLN H H 22 8.452 8.452 8.171 0.281 17482 3707 1 7 . 1 1 23 23 LYS N N 23 120.410 120.410 121.244 -0.834 17482 3708 1 7 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.137 0.200 17482 3709 1 7 . 1 1 23 23 LYS C C 23 176.191 176.191 178.359 -2.168 17482 3710 1 7 . 1 1 23 23 LYS CA C 23 56.208 56.208 56.902 -0.694 17482 3711 1 7 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.442 1.294 17482 3712 1 7 . 1 1 23 23 LYS H H 23 7.935 7.935 8.370 -0.435 17482 3713 1 7 . 1 1 24 24 SER N N 24 117.302 117.302 121.260 -3.958 17482 3714 1 7 . 1 1 24 24 SER HA H 24 4.492 4.492 4.397 0.095 17482 3715 1 7 . 1 1 24 24 SER C C 24 175.717 175.717 176.038 -0.321 17482 3716 1 7 . 1 1 24 24 SER CA C 24 58.145 58.145 59.290 -1.145 17482 3717 1 7 . 1 1 24 24 SER CB C 24 63.815 63.815 63.263 0.552 17482 3718 1 7 . 1 1 24 24 SER H H 24 8.365 8.365 9.016 -0.651 17482 3719 1 7 . 1 1 25 25 TYR N N 25 121.904 121.904 121.428 0.476 17482 3720 1 7 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.128 0.254 17482 3721 1 7 . 1 1 25 25 TYR C C 25 177.752 177.752 177.087 0.665 17482 3722 1 7 . 1 1 25 25 TYR CA C 25 60.945 60.945 60.049 0.896 17482 3723 1 7 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.791 0.030 17482 3724 1 7 . 1 1 25 25 TYR H H 25 8.205 8.205 8.331 -0.126 17482 3725 1 7 . 1 1 26 26 ALA N N 26 121.123 121.123 121.084 0.039 17482 3726 1 7 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.927 0.130 17482 3727 1 7 . 1 1 26 26 ALA C C 26 179.037 179.037 179.950 -0.913 17482 3728 1 7 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.407 0.130 17482 3729 1 7 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.097 0.377 17482 3730 1 7 . 1 1 26 26 ALA H H 26 8.233 8.233 7.827 0.406 17482 3731 1 7 . 1 1 27 27 GLU N N 27 117.313 117.313 118.028 -0.715 17482 3732 1 7 . 1 1 27 27 GLU HA H 27 4.017 4.017 3.947 0.070 17482 3733 1 7 . 1 1 27 27 GLU C C 27 179.166 179.166 179.040 0.126 17482 3734 1 7 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.065 0.413 17482 3735 1 7 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.759 0.107 17482 3736 1 7 . 1 1 27 27 GLU H H 27 7.922 7.922 7.919 0.003 17482 3737 1 7 . 1 1 28 28 GLN N N 28 118.602 118.602 119.035 -0.433 17482 3738 1 7 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.909 0.279 17482 3739 1 7 . 1 1 28 28 GLN C C 28 179.132 179.132 178.858 0.274 17482 3740 1 7 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.736 0.109 17482 3741 1 7 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.451 0.931 17482 3742 1 7 . 1 1 28 28 GLN H H 28 8.179 8.179 7.695 0.484 17482 3743 1 7 . 1 1 29 29 GLY N N 29 107.984 107.984 106.930 1.054 17482 3744 1 7 . 1 1 29 29 GLY C C 29 174.518 174.518 175.684 -1.166 17482 3745 1 7 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.679 0.907 17482 3746 1 7 . 1 1 29 29 GLY H H 29 8.804 8.804 8.537 0.267 17482 3747 1 7 . 1 1 30 30 LYS N N 30 121.339 121.339 122.208 -0.869 17482 3748 1 7 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.879 0.082 17482 3749 1 7 . 1 1 30 30 LYS C C 30 178.925 178.925 178.749 0.176 17482 3750 1 7 . 1 1 30 30 LYS CA C 30 60.400 60.400 59.916 0.484 17482 3751 1 7 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.334 0.093 17482 3752 1 7 . 1 1 30 30 LYS H H 30 8.406 8.406 7.392 1.014 17482 3753 1 7 . 1 1 31 31 GLU N N 31 119.880 119.880 119.339 0.541 17482 3754 1 7 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.110 -0.070 17482 3755 1 7 . 1 1 31 31 GLU C C 31 177.761 177.761 178.727 -0.966 17482 3756 1 7 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.551 0.980 17482 3757 1 7 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.114 0.417 17482 3758 1 7 . 1 1 31 31 GLU H H 31 8.090 8.090 8.216 -0.126 17482 3759 1 7 . 1 1 32 32 TYR N N 32 119.786 119.786 120.442 -0.656 17482 3760 1 7 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.126 0.145 17482 3761 1 7 . 1 1 32 32 TYR C C 32 178.054 178.054 177.847 0.207 17482 3762 1 7 . 1 1 32 32 TYR CA C 32 61.720 61.720 62.007 -0.287 17482 3763 1 7 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.480 0.451 17482 3764 1 7 . 1 1 32 32 TYR H H 32 8.052 8.052 7.670 0.382 17482 3765 1 7 . 1 1 33 33 ILE N N 33 116.856 116.856 118.274 -1.418 17482 3766 1 7 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.651 0.141 17482 3767 1 7 . 1 1 33 33 ILE C C 33 177.519 177.519 178.082 -0.563 17482 3768 1 7 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.789 -1.770 17482 3769 1 7 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.797 0.314 17482 3770 1 7 . 1 1 33 33 ILE H H 33 8.249 8.249 8.000 0.249 17482 3771 1 7 . 1 1 34 34 THR N N 34 114.203 114.203 114.163 0.040 17482 3772 1 7 . 1 1 34 34 THR HA H 34 3.934 3.934 3.804 0.130 17482 3773 1 7 . 1 1 34 34 THR C C 34 176.579 176.579 176.805 -0.226 17482 3774 1 7 . 1 1 34 34 THR CA C 34 66.459 66.459 66.603 -0.144 17482 3775 1 7 . 1 1 34 34 THR CB C 34 68.845 68.845 67.957 0.888 17482 3776 1 7 . 1 1 34 34 THR H H 34 8.254 8.254 7.861 0.393 17482 3777 1 7 . 1 1 35 35 ASP N N 35 121.116 121.116 121.219 -0.103 17482 3778 1 7 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.341 0.155 17482 3779 1 7 . 1 1 35 35 ASP C C 35 177.933 177.933 178.523 -0.590 17482 3780 1 7 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.504 -0.442 17482 3781 1 7 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.671 1.157 17482 3782 1 7 . 1 1 35 35 ASP H H 35 7.880 7.880 8.210 -0.330 17482 3783 1 7 . 1 1 36 36 LYS N N 36 116.457 116.457 118.915 -2.458 17482 3784 1 7 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.067 0.090 17482 3785 1 7 . 1 1 36 36 LYS C C 36 177.968 177.968 178.646 -0.678 17482 3786 1 7 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.749 -1.878 17482 3787 1 7 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.317 -0.404 17482 3788 1 7 . 1 1 36 36 LYS H H 36 7.677 7.677 7.651 0.026 17482 3789 1 7 . 1 1 37 37 ALA N N 37 121.588 121.588 121.931 -0.343 17482 3790 1 7 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.115 -0.110 17482 3791 1 7 . 1 1 37 37 ALA C C 37 178.795 178.795 179.924 -1.129 17482 3792 1 7 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.976 0.355 17482 3793 1 7 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.164 0.310 17482 3794 1 7 . 1 1 37 37 ALA H H 37 8.296 8.296 8.283 0.013 17482 3795 1 7 . 1 1 38 38 ASP N N 38 116.490 116.490 118.927 -2.437 17482 3796 1 7 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.485 -0.076 17482 3797 1 7 . 1 1 38 38 ASP C C 38 178.347 178.347 178.485 -0.138 17482 3798 1 7 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.296 -0.567 17482 3799 1 7 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.045 0.003 17482 3800 1 7 . 1 1 38 38 ASP H H 38 8.046 8.046 8.184 -0.138 17482 3801 1 7 . 1 1 39 39 LYS N N 39 118.627 118.627 120.649 -2.022 17482 3802 1 7 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.079 0.069 17482 3803 1 7 . 1 1 39 39 LYS C C 39 178.588 178.588 178.999 -0.411 17482 3804 1 7 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.531 -1.305 17482 3805 1 7 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.574 0.083 17482 3806 1 7 . 1 1 39 39 LYS H H 39 7.757 7.757 7.673 0.084 17482 3807 1 7 . 1 1 40 40 VAL N N 40 116.146 116.146 119.146 -3.000 17482 3808 1 7 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.752 0.157 17482 3809 1 7 . 1 1 40 40 VAL C C 40 176.683 176.683 176.882 -0.199 17482 3810 1 7 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.163 -0.755 17482 3811 1 7 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.296 1.038 17482 3812 1 7 . 1 1 40 40 VAL H H 40 7.792 7.792 7.960 -0.168 17482 3813 1 7 . 1 1 41 41 ALA N N 41 122.561 122.561 120.816 1.745 17482 3814 1 7 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.251 -0.128 17482 3815 1 7 . 1 1 41 41 ALA C C 41 179.106 179.106 180.216 -1.110 17482 3816 1 7 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.532 -0.003 17482 3817 1 7 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.872 -0.271 17482 3818 1 7 . 1 1 41 41 ALA H H 41 8.094 8.094 7.423 0.671 17482 3819 1 7 . 1 1 42 42 GLY N N 42 105.072 105.072 106.925 -1.853 17482 3820 1 7 . 1 1 42 42 GLY C C 42 174.941 174.941 175.970 -1.029 17482 3821 1 7 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.707 -0.680 17482 3822 1 7 . 1 1 42 42 GLY H H 42 8.044 8.044 8.336 -0.292 17482 3823 1 7 . 1 1 43 43 LYS N N 43 119.123 119.123 118.761 0.362 17482 3824 1 7 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.128 0.213 17482 3825 1 7 . 1 1 43 43 LYS C C 43 176.631 176.631 177.014 -0.383 17482 3826 1 7 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.482 0.315 17482 3827 1 7 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.353 1.043 17482 3828 1 7 . 1 1 43 43 LYS H H 43 7.834 7.834 8.097 -0.263 17482 3829 1 7 . 1 1 44 44 VAL N N 44 116.413 116.413 120.770 -4.357 17482 3830 1 7 . 1 1 44 44 VAL HA H 44 4.146 4.146 3.928 0.218 17482 3831 1 7 . 1 1 44 44 VAL C C 44 175.018 175.018 175.792 -0.774 17482 3832 1 7 . 1 1 44 44 VAL CA C 44 62.331 62.331 63.022 -0.690 17482 3833 1 7 . 1 1 44 44 VAL CB C 44 32.641 32.641 31.924 0.717 17482 3834 1 7 . 1 1 44 44 VAL H H 44 7.650 7.650 7.462 0.188 17482 3835 1 7 . 1 1 45 45 GLN N N 45 122.078 122.078 126.150 -4.072 17482 3836 1 7 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.656 0.003 17482 3837 1 7 . 1 1 45 45 GLN CA C 45 53.664 53.664 53.488 0.176 17482 3838 1 7 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.572 0.757 17482 3839 1 7 . 1 1 45 45 GLN H H 45 8.154 8.154 8.356 -0.202 17482 3840 1 7 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.476 -0.043 17482 3841 1 7 . 1 1 46 46 PRO C C 46 177.329 177.329 177.391 -0.062 17482 3842 1 7 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.352 1.402 17482 3843 1 7 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.351 -0.120 17482 3844 1 7 . 1 1 47 47 GLU N N 47 119.456 119.456 119.192 0.264 17482 3845 1 7 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.083 0.128 17482 3846 1 7 . 1 1 47 47 GLU C C 47 176.484 176.484 177.162 -0.678 17482 3847 1 7 . 1 1 47 47 GLU CA C 47 57.468 57.468 58.683 -1.215 17482 3848 1 7 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.419 0.910 17482 3849 1 7 . 1 1 47 47 GLU H H 47 8.491 8.491 8.399 0.092 17482 3850 1 7 . 1 1 48 48 ASP N N 48 119.108 119.108 116.821 2.287 17482 3851 1 7 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.710 -0.125 17482 3852 1 7 . 1 1 48 48 ASP C C 48 175.863 175.863 174.636 1.227 17482 3853 1 7 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.358 1.221 17482 3854 1 7 . 1 1 48 48 ASP CB C 48 41.131 41.131 40.944 0.187 17482 3855 1 7 . 1 1 48 48 ASP H H 48 8.137 8.137 8.181 -0.044 17482 3856 1 7 . 1 1 49 49 ASN N N 49 117.714 117.714 117.618 0.096 17482 3857 1 7 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.444 0.221 17482 3858 1 7 . 1 1 49 49 ASN C C 49 174.975 174.975 173.807 1.168 17482 3859 1 7 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.988 -0.260 17482 3860 1 7 . 1 1 49 49 ASN CB C 49 39.131 39.131 38.505 0.626 17482 3861 1 7 . 1 1 49 49 ASN H H 49 8.173 8.173 8.255 -0.082 17482 3862 1 7 . 1 1 50 50 LYS N N 50 120.215 120.215 122.218 -2.003 17482 3863 1 7 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.631 -0.323 17482 3864 1 7 . 1 1 50 50 LYS C C 50 176.950 176.950 175.815 1.135 17482 3865 1 7 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.027 0.801 17482 3866 1 7 . 1 1 50 50 LYS CB C 50 33.031 33.031 32.669 0.362 17482 3867 1 7 . 1 1 50 50 LYS H H 50 8.098 8.098 8.285 -0.187 17482 3868 1 7 . 1 1 51 51 GLY N N 51 109.286 109.286 111.533 -2.247 17482 3869 1 7 . 1 1 51 51 GLY C C 51 175.251 175.251 174.733 0.518 17482 3870 1 7 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.517 0.396 17482 3871 1 7 . 1 1 51 51 GLY H H 51 8.295 8.295 8.646 -0.351 17482 3872 1 7 . 1 1 52 52 VAL N N 52 119.528 119.528 120.676 -1.148 17482 3873 1 7 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.635 0.229 17482 3874 1 7 . 1 1 52 52 VAL C C 52 176.372 176.372 177.010 -0.638 17482 3875 1 7 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.443 -0.097 17482 3876 1 7 . 1 1 52 52 VAL CB C 52 32.230 32.230 32.080 0.151 17482 3877 1 7 . 1 1 52 52 VAL H H 52 7.940 7.940 7.959 -0.019 17482 3878 1 7 . 1 1 53 53 PHE N N 53 118.265 118.265 118.937 -0.672 17482 3879 1 7 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.411 0.182 17482 3880 1 7 . 1 1 53 53 PHE C C 53 176.441 176.441 177.863 -1.422 17482 3881 1 7 . 1 1 53 53 PHE CA C 53 58.676 58.676 60.035 -1.359 17482 3882 1 7 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.688 -0.053 17482 3883 1 7 . 1 1 53 53 PHE H H 53 8.046 8.046 8.169 -0.123 17482 3884 1 7 . 1 1 54 54 GLN N N 54 119.441 119.441 119.538 -0.097 17482 3885 1 7 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.014 0.157 17482 3886 1 7 . 1 1 54 54 GLN C C 54 177.166 177.166 178.300 -1.134 17482 3887 1 7 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.201 -1.652 17482 3888 1 7 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.461 1.038 17482 3889 1 7 . 1 1 54 54 GLN H H 54 7.978 7.978 7.916 0.062 17482 3890 1 7 . 1 1 55 55 GLY N N 55 107.822 107.822 107.938 -0.116 17482 3891 1 7 . 1 1 55 55 GLY C C 55 175.294 175.294 176.141 -0.847 17482 3892 1 7 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.630 -0.442 17482 3893 1 7 . 1 1 55 55 GLY H H 55 8.120 8.120 7.828 0.292 17482 3894 1 7 . 1 1 56 56 VAL N N 56 119.174 119.174 122.431 -3.257 17482 3895 1 7 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.621 0.351 17482 3896 1 7 . 1 1 56 56 VAL C C 56 176.527 176.527 177.065 -0.538 17482 3897 1 7 . 1 1 56 56 VAL CA C 56 64.004 64.004 64.931 -0.927 17482 3898 1 7 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.639 0.553 17482 3899 1 7 . 1 1 56 56 VAL H H 56 7.774 7.774 7.830 -0.056 17482 3900 1 7 . 1 1 57 57 HIS N N 57 119.221 119.221 120.011 -0.790 17482 3901 1 7 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.372 0.170 17482 3902 1 7 . 1 1 57 57 HIS CA C 57 56.973 56.973 59.197 -2.224 17482 3903 1 7 . 1 1 57 57 HIS CB C 57 29.608 29.608 29.783 -0.175 17482 3904 1 7 . 1 1 57 57 HIS H H 57 8.201 8.201 8.499 -0.298 17482 3905 1 7 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.298 0.282 17482 3906 1 7 . 1 1 58 58 ASP C C 58 177.097 177.097 177.556 -0.459 17482 3907 1 7 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.822 -1.801 17482 3908 1 7 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.587 0.649 17482 3909 1 7 . 1 1 59 59 SER N N 59 116.347 116.347 114.335 2.012 17482 3910 1 7 . 1 1 59 59 SER HA H 59 4.372 4.372 4.206 0.166 17482 3911 1 7 . 1 1 59 59 SER C C 59 175.087 175.087 175.816 -0.729 17482 3912 1 7 . 1 1 59 59 SER CA C 59 59.207 59.207 60.282 -1.075 17482 3913 1 7 . 1 1 59 59 SER CB C 59 63.780 63.780 63.341 0.439 17482 3914 1 7 . 1 1 59 59 SER H H 59 8.134 8.134 7.488 0.646 17482 3915 1 7 . 1 1 60 60 ALA N N 60 125.097 125.097 123.656 1.441 17482 3916 1 7 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.059 0.194 17482 3917 1 7 . 1 1 60 60 ALA C C 60 178.192 178.192 179.291 -1.099 17482 3918 1 7 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.132 -0.571 17482 3919 1 7 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.520 0.558 17482 3920 1 7 . 1 1 60 60 ALA H H 60 8.203 8.203 7.473 0.730 17482 3921 1 7 . 1 1 61 61 GLU N N 61 118.432 118.432 118.492 -0.060 17482 3922 1 7 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.043 0.157 17482 3923 1 7 . 1 1 61 61 GLU C C 61 177.036 177.036 177.533 -0.497 17482 3924 1 7 . 1 1 61 61 GLU CA C 61 57.224 57.224 58.293 -1.069 17482 3925 1 7 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.501 0.727 17482 3926 1 7 . 1 1 61 61 GLU H H 61 8.095 8.095 7.873 0.222 17482 3927 1 7 . 1 1 62 62 LYS N N 62 120.770 120.770 117.564 3.206 17482 3928 1 7 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.406 -0.109 17482 3929 1 7 . 1 1 62 62 LYS C C 62 177.450 177.450 175.953 1.497 17482 3930 1 7 . 1 1 62 62 LYS CA C 62 56.826 56.826 55.546 1.280 17482 3931 1 7 . 1 1 62 62 LYS CB C 62 32.943 32.943 34.267 -1.324 17482 3932 1 7 . 1 1 62 62 LYS H H 62 7.969 7.969 8.199 -0.230 17482 3933 1 7 . 1 1 63 63 GLY N N 63 108.912 108.912 107.288 1.624 17482 3934 1 7 . 1 1 63 63 GLY C C 63 174.432 174.432 173.671 0.761 17482 3935 1 7 . 1 1 63 63 GLY CA C 63 45.751 45.751 45.133 0.618 17482 3936 1 7 . 1 1 63 63 GLY H H 63 8.287 8.287 8.436 -0.149 17482 3937 1 7 . 1 1 64 64 LYS N N 64 120.529 120.529 120.906 -0.377 17482 3938 1 7 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.615 -0.317 17482 3939 1 7 . 1 1 64 64 LYS C C 64 176.622 176.622 174.507 2.115 17482 3940 1 7 . 1 1 64 64 LYS CA C 64 56.731 56.731 55.508 1.223 17482 3941 1 7 . 1 1 64 64 LYS CB C 64 33.117 33.117 34.186 -1.069 17482 3942 1 7 . 1 1 64 64 LYS H H 64 8.019 8.019 7.816 0.203 17482 3943 1 7 . 1 1 65 65 ASP N N 65 120.673 120.673 119.630 1.043 17482 3944 1 7 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.812 -0.232 17482 3945 1 7 . 1 1 65 65 ASP C C 65 176.226 176.226 174.709 1.517 17482 3946 1 7 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.735 1.048 17482 3947 1 7 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.194 -1.022 17482 3948 1 7 . 1 1 65 65 ASP H H 65 8.296 8.296 8.202 0.094 17482 3949 1 7 . 1 1 66 66 ASN N N 66 118.902 118.902 119.972 -1.070 17482 3950 1 7 . 1 1 66 66 ASN HA H 66 4.690 4.690 5.418 -0.728 17482 3951 1 7 . 1 1 66 66 ASN C C 66 175.217 175.217 174.332 0.885 17482 3952 1 7 . 1 1 66 66 ASN CA C 66 53.475 53.475 52.381 1.094 17482 3953 1 7 . 1 1 66 66 ASN CB C 66 39.117 39.117 40.337 -1.220 17482 3954 1 7 . 1 1 66 66 ASN H H 66 8.212 8.212 8.672 -0.460 17482 3955 1 7 . 1 1 67 67 ALA N N 67 124.149 124.149 123.886 0.263 17482 3956 1 7 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.419 -0.119 17482 3957 1 7 . 1 1 67 67 ALA C C 67 177.890 177.890 176.508 1.382 17482 3958 1 7 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.784 0.269 17482 3959 1 7 . 1 1 67 67 ALA CB C 67 19.427 19.427 19.761 -0.334 17482 3960 1 7 . 1 1 67 67 ALA H H 67 8.212 8.212 8.229 -0.017 17482 3961 1 7 . 1 1 68 68 GLU N N 68 119.216 119.216 118.753 0.463 17482 3962 1 7 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.317 -0.046 17482 3963 1 7 . 1 1 68 68 GLU C C 68 177.243 177.243 175.866 1.377 17482 3964 1 7 . 1 1 68 68 GLU CA C 68 56.797 56.797 55.825 0.972 17482 3965 1 7 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.233 -0.074 17482 3966 1 7 . 1 1 68 68 GLU H H 68 8.286 8.286 8.387 -0.101 17482 3967 1 7 . 1 1 69 69 GLY N N 69 109.637 109.637 110.046 -0.409 17482 3968 1 7 . 1 1 69 69 GLY C C 69 174.371 174.371 173.464 0.907 17482 3969 1 7 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.432 0.202 17482 3970 1 7 . 1 1 69 69 GLY H H 69 8.293 8.293 8.033 0.260 17482 3971 1 7 . 1 1 70 70 GLN N N 70 119.629 119.629 119.747 -0.118 17482 3972 1 7 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.362 0.031 17482 3973 1 7 . 1 1 70 70 GLN C C 70 176.502 176.502 175.091 1.411 17482 3974 1 7 . 1 1 70 70 GLN CA C 70 56.046 56.046 56.220 -0.174 17482 3975 1 7 . 1 1 70 70 GLN CB C 70 29.627 29.627 29.842 -0.215 17482 3976 1 7 . 1 1 70 70 GLN H H 70 8.201 8.201 8.330 -0.129 17482 3977 1 7 . 1 1 71 71 GLY N N 71 109.977 109.977 112.589 -2.612 17482 3978 1 7 . 1 1 71 71 GLY C C 71 173.992 173.992 172.716 1.276 17482 3979 1 7 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.937 0.697 17482 3980 1 7 . 1 1 71 71 GLY H H 71 8.424 8.424 8.256 0.168 17482 3981 1 7 . 1 1 72 72 GLU N N 72 120.532 120.532 121.802 -1.270 17482 3982 1 7 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.257 0.154 17482 3983 1 7 . 1 1 72 72 GLU C C 72 176.639 176.639 175.831 0.808 17482 3984 1 7 . 1 1 72 72 GLU CA C 72 56.618 56.618 57.750 -1.132 17482 3985 1 7 . 1 1 72 72 GLU CB C 72 30.731 30.731 29.584 1.147 17482 3986 1 7 . 1 1 72 72 GLU H H 72 8.244 8.244 8.383 -0.139 17482 3987 1 7 . 1 1 73 73 SER N N 73 117.827 117.827 119.367 -1.540 17482 3988 1 7 . 1 1 73 73 SER HA H 73 4.589 4.589 4.493 0.096 17482 3989 1 7 . 1 1 73 73 SER C C 73 175.475 175.475 174.571 0.904 17482 3990 1 7 . 1 1 73 73 SER CA C 73 58.064 58.064 57.740 0.324 17482 3991 1 7 . 1 1 73 73 SER CB C 73 64.761 64.761 64.319 0.442 17482 3992 1 7 . 1 1 73 73 SER H H 73 8.689 8.689 8.357 0.332 17482 3993 1 7 . 1 1 74 74 LEU N N 74 124.414 124.414 125.787 -1.373 17482 3994 1 7 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.096 0.105 17482 3995 1 7 . 1 1 74 74 LEU C C 74 178.735 178.735 177.552 1.183 17482 3996 1 7 . 1 1 74 74 LEU CA C 74 57.895 57.895 56.953 0.942 17482 3997 1 7 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.337 0.597 17482 3998 1 7 . 1 1 74 74 LEU H H 74 8.514 8.514 8.634 -0.120 17482 3999 1 7 . 1 1 75 75 ALA N N 75 120.291 120.291 120.210 0.081 17482 4000 1 7 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.971 0.019 17482 4001 1 7 . 1 1 75 75 ALA C C 75 179.046 179.046 180.025 -0.979 17482 4002 1 7 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.915 0.352 17482 4003 1 7 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.627 0.968 17482 4004 1 7 . 1 1 75 75 ALA H H 75 8.160 8.160 8.286 -0.126 17482 4005 1 7 . 1 1 76 76 ASP N N 76 117.288 117.288 116.812 0.476 17482 4006 1 7 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.445 -0.039 17482 4007 1 7 . 1 1 76 76 ASP C C 76 178.476 178.476 178.246 0.230 17482 4008 1 7 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.970 0.163 17482 4009 1 7 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.053 -0.401 17482 4010 1 7 . 1 1 76 76 ASP H H 76 7.773 7.773 8.136 -0.363 17482 4011 1 7 . 1 1 77 77 GLN N N 77 119.454 119.454 118.988 0.466 17482 4012 1 7 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.207 -0.045 17482 4013 1 7 . 1 1 77 77 GLN C C 77 178.037 178.037 178.184 -0.147 17482 4014 1 7 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.053 0.328 17482 4015 1 7 . 1 1 77 77 GLN CB C 77 29.480 29.480 29.004 0.476 17482 4016 1 7 . 1 1 77 77 GLN H H 77 7.994 7.994 7.748 0.246 17482 4017 1 7 . 1 1 78 78 ALA N N 78 121.577 121.577 123.168 -1.591 17482 4018 1 7 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.166 -0.017 17482 4019 1 7 . 1 1 78 78 ALA C C 78 178.977 178.977 179.542 -0.565 17482 4020 1 7 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.249 -0.118 17482 4021 1 7 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.266 0.389 17482 4022 1 7 . 1 1 78 78 ALA H H 78 8.498 8.498 8.343 0.155 17482 4023 1 7 . 1 1 79 79 ARG N N 79 117.138 117.138 118.408 -1.270 17482 4024 1 7 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.015 -0.003 17482 4025 1 7 . 1 1 79 79 ARG C C 79 175.449 175.449 178.808 -3.359 17482 4026 1 7 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.356 0.147 17482 4027 1 7 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.894 0.252 17482 4028 1 7 . 1 1 79 79 ARG H H 79 8.101 8.101 7.864 0.237 17482 4029 1 7 . 1 1 80 80 ASP N N 80 120.784 120.784 119.595 1.189 17482 4030 1 7 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.514 -0.001 17482 4031 1 7 . 1 1 80 80 ASP C C 80 178.882 178.882 178.470 0.412 17482 4032 1 7 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.565 -0.689 17482 4033 1 7 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.972 -0.644 17482 4034 1 7 . 1 1 80 80 ASP H H 80 8.000 8.000 7.730 0.270 17482 4035 1 7 . 1 1 81 81 TYR N N 81 120.298 120.298 121.058 -0.760 17482 4036 1 7 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.303 0.128 17482 4037 1 7 . 1 1 81 81 TYR C C 81 177.855 177.855 177.546 0.309 17482 4038 1 7 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.404 0.430 17482 4039 1 7 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.673 -0.195 17482 4040 1 7 . 1 1 81 81 TYR H H 81 8.127 8.127 7.571 0.556 17482 4041 1 7 . 1 1 82 82 MET N N 82 118.452 118.452 117.723 0.729 17482 4042 1 7 . 1 1 82 82 MET HA H 82 4.239 4.239 3.908 0.331 17482 4043 1 7 . 1 1 82 82 MET C C 82 178.175 178.175 178.787 -0.612 17482 4044 1 7 . 1 1 82 82 MET CA C 82 58.757 58.757 58.395 0.362 17482 4045 1 7 . 1 1 82 82 MET CB C 82 32.631 32.631 31.939 0.692 17482 4046 1 7 . 1 1 82 82 MET H H 82 8.382 8.382 8.841 -0.459 17482 4047 1 7 . 1 1 83 83 GLY N N 83 106.740 106.740 105.453 1.287 17482 4048 1 7 . 1 1 83 83 GLY C C 83 176.717 176.717 175.236 1.481 17482 4049 1 7 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.194 0.137 17482 4050 1 7 . 1 1 83 83 GLY H H 83 8.308 8.308 7.980 0.328 17482 4051 1 7 . 1 1 84 84 ALA N N 84 125.357 125.357 124.045 1.312 17482 4052 1 7 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.187 0.100 17482 4053 1 7 . 1 1 84 84 ALA C C 84 180.149 180.149 179.261 0.888 17482 4054 1 7 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.602 0.046 17482 4055 1 7 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.277 0.264 17482 4056 1 7 . 1 1 84 84 ALA H H 84 7.905 7.905 7.439 0.466 17482 4057 1 7 . 1 1 85 85 ALA N N 85 121.332 121.332 120.689 0.643 17482 4058 1 7 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.955 0.070 17482 4059 1 7 . 1 1 85 85 ALA C C 85 178.847 178.847 179.689 -0.842 17482 4060 1 7 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.919 0.364 17482 4061 1 7 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.010 0.477 17482 4062 1 7 . 1 1 85 85 ALA H H 85 8.341 8.341 7.612 0.729 17482 4063 1 7 . 1 1 86 86 LYS N N 86 116.980 116.980 119.147 -2.167 17482 4064 1 7 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.885 -0.013 17482 4065 1 7 . 1 1 86 86 LYS C C 86 178.485 178.485 178.796 -0.311 17482 4066 1 7 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.938 0.255 17482 4067 1 7 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.128 0.203 17482 4068 1 7 . 1 1 86 86 LYS H H 86 8.360 8.360 7.669 0.691 17482 4069 1 7 . 1 1 87 87 SER N N 87 113.632 113.632 115.024 -1.392 17482 4070 1 7 . 1 1 87 87 SER HA H 87 4.299 4.299 4.158 0.141 17482 4071 1 7 . 1 1 87 87 SER C C 87 176.467 176.467 176.844 -0.377 17482 4072 1 7 . 1 1 87 87 SER CA C 87 61.614 61.614 61.428 0.186 17482 4073 1 7 . 1 1 87 87 SER CB C 87 63.064 63.064 62.963 0.101 17482 4074 1 7 . 1 1 87 87 SER H H 87 7.863 7.863 7.723 0.140 17482 4075 1 7 . 1 1 88 88 LYS N N 88 120.925 120.925 121.302 -0.377 17482 4076 1 7 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.025 0.320 17482 4077 1 7 . 1 1 88 88 LYS C C 88 178.502 178.502 178.927 -0.425 17482 4078 1 7 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.630 -0.934 17482 4079 1 7 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.202 -0.191 17482 4080 1 7 . 1 1 88 88 LYS H H 88 7.843 7.843 7.679 0.164 17482 4081 1 7 . 1 1 89 89 LEU N N 89 119.955 119.955 121.047 -1.092 17482 4082 1 7 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.908 0.197 17482 4083 1 7 . 1 1 89 89 LEU C C 89 178.209 178.209 178.535 -0.326 17482 4084 1 7 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.023 0.174 17482 4085 1 7 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.574 0.057 17482 4086 1 7 . 1 1 89 89 LEU H H 89 8.174 8.174 8.438 -0.264 17482 4087 1 7 . 1 1 90 90 ASN N N 90 117.013 117.013 116.329 0.684 17482 4088 1 7 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.395 -0.002 17482 4089 1 7 . 1 1 90 90 ASN C C 90 174.164 174.164 177.632 -3.468 17482 4090 1 7 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.642 0.524 17482 4091 1 7 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.116 0.836 17482 4092 1 7 . 1 1 90 90 ASN H H 90 8.223 8.223 8.249 -0.026 17482 4093 1 7 . 1 1 91 91 ASP N N 91 119.959 119.959 118.918 1.041 17482 4094 1 7 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.459 -0.002 17482 4095 1 7 . 1 1 91 91 ASP C C 91 178.804 178.804 177.694 1.110 17482 4096 1 7 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.177 0.261 17482 4097 1 7 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.782 -0.603 17482 4098 1 7 . 1 1 91 91 ASP H H 91 8.043 8.043 7.514 0.529 17482 4099 1 7 . 1 1 92 92 ALA N N 92 123.900 123.900 122.821 1.079 17482 4100 1 7 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.232 -0.029 17482 4101 1 7 . 1 1 92 92 ALA C C 92 178.951 178.951 179.662 -0.711 17482 4102 1 7 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.995 0.542 17482 4103 1 7 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.776 -0.273 17482 4104 1 7 . 1 1 92 92 ALA H H 92 8.256 8.256 7.604 0.652 17482 4105 1 7 . 1 1 93 93 VAL N N 93 118.228 118.228 119.890 -1.662 17482 4106 1 7 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.496 0.098 17482 4107 1 7 . 1 1 93 93 VAL C C 93 178.761 178.761 177.977 0.784 17482 4108 1 7 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.701 -0.545 17482 4109 1 7 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.154 0.641 17482 4110 1 7 . 1 1 93 93 VAL H H 93 8.449 8.449 8.609 -0.160 17482 4111 1 7 . 1 1 94 94 GLU N N 94 120.485 120.485 119.491 0.994 17482 4112 1 7 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.933 0.112 17482 4113 1 7 . 1 1 94 94 GLU C C 94 179.347 179.347 179.323 0.024 17482 4114 1 7 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.112 -0.481 17482 4115 1 7 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.639 -0.108 17482 4116 1 7 . 1 1 94 94 GLU H H 94 8.175 8.175 7.862 0.313 17482 4117 1 7 . 1 1 95 95 TYR N N 95 120.806 120.806 119.322 1.484 17482 4118 1 7 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.286 -0.058 17482 4119 1 7 . 1 1 95 95 TYR C C 95 178.407 178.407 177.443 0.964 17482 4120 1 7 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.094 0.467 17482 4121 1 7 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.528 0.103 17482 4122 1 7 . 1 1 95 95 TYR H H 95 8.197 8.197 7.382 0.815 17482 4123 1 7 . 1 1 96 96 VAL N N 96 118.584 118.584 119.781 -1.197 17482 4124 1 7 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.600 -0.117 17482 4125 1 7 . 1 1 96 96 VAL C C 96 177.752 177.752 177.873 -0.121 17482 4126 1 7 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.013 -0.333 17482 4127 1 7 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.498 0.524 17482 4128 1 7 . 1 1 96 96 VAL H H 96 8.525 8.525 8.468 0.057 17482 4129 1 7 . 1 1 97 97 SER N N 97 114.566 114.566 114.706 -0.140 17482 4130 1 7 . 1 1 97 97 SER HA H 97 4.080 4.080 4.109 -0.029 17482 4131 1 7 . 1 1 97 97 SER C C 97 176.803 176.803 176.933 -0.130 17482 4132 1 7 . 1 1 97 97 SER CA C 97 61.800 61.800 62.637 -0.837 17482 4133 1 7 . 1 1 97 97 SER CB C 97 63.258 63.258 62.790 0.468 17482 4134 1 7 . 1 1 97 97 SER H H 97 8.642 8.642 8.799 -0.157 17482 4135 1 7 . 1 1 98 98 GLY N N 98 107.586 107.586 106.814 0.772 17482 4136 1 7 . 1 1 98 98 GLY C C 98 175.553 175.553 175.443 0.110 17482 4137 1 7 . 1 1 98 98 GLY CA C 98 46.556 46.556 46.108 0.448 17482 4138 1 7 . 1 1 98 98 GLY H H 98 7.926 7.926 7.682 0.244 17482 4139 1 7 . 1 1 99 99 ARG N N 99 119.948 119.948 119.678 0.270 17482 4140 1 7 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.653 -0.450 17482 4141 1 7 . 1 1 99 99 ARG C C 99 177.830 177.830 177.828 0.002 17482 4142 1 7 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.325 -0.195 17482 4143 1 7 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.375 -0.163 17482 4144 1 7 . 1 1 99 99 ARG H H 99 7.611 7.611 7.589 0.022 17482 4145 1 7 . 1 1 100 100 VAL N N 100 116.709 116.709 117.047 -0.338 17482 4146 1 7 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.797 0.143 17482 4147 1 7 . 1 1 100 100 VAL C C 100 176.381 176.381 177.277 -0.896 17482 4148 1 7 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.135 -1.204 17482 4149 1 7 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.627 0.704 17482 4150 1 7 . 1 1 100 100 VAL H H 100 7.906 7.906 8.043 -0.137 17482 4151 1 7 . 1 1 101 101 HIS N N 101 117.584 117.584 118.104 -0.520 17482 4152 1 7 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.477 0.298 17482 4153 1 7 . 1 1 101 101 HIS C C 101 175.484 175.484 176.708 -1.224 17482 4154 1 7 . 1 1 101 101 HIS CA C 101 55.862 55.862 57.640 -1.778 17482 4155 1 7 . 1 1 101 101 HIS CB C 101 29.517 29.517 30.786 -1.269 17482 4156 1 7 . 1 1 101 101 HIS H H 101 8.061 8.061 7.486 0.575 17482 4157 1 7 . 1 1 102 102 GLY N N 102 109.164 109.164 106.212 2.952 17482 4158 1 7 . 1 1 102 102 GLY C C 102 174.121 174.121 173.998 0.123 17482 4159 1 7 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.604 0.115 17482 4160 1 7 . 1 1 102 102 GLY H H 102 7.990 7.990 8.377 -0.387 17482 4161 1 7 . 1 1 103 103 GLU N N 103 120.493 120.493 119.075 1.418 17482 4162 1 7 . 1 1 103 103 GLU HA H 103 4.315 4.315 3.855 0.460 17482 4163 1 7 . 1 1 103 103 GLU C C 103 176.467 176.467 175.349 1.118 17482 4164 1 7 . 1 1 103 103 GLU CA C 103 56.451 56.451 57.126 -0.675 17482 4165 1 7 . 1 1 103 103 GLU CB C 103 30.731 30.731 28.265 2.466 17482 4166 1 7 . 1 1 103 103 GLU H H 103 8.320 8.320 7.993 0.327 17482 4167 1 7 . 1 1 104 104 GLU N N 104 122.018 122.018 122.076 -0.058 17482 4168 1 7 . 1 1 104 104 GLU HA H 104 4.263 4.263 3.987 0.276 17482 4169 1 7 . 1 1 104 104 GLU C C 104 175.820 175.820 175.074 0.746 17482 4170 1 7 . 1 1 104 104 GLU CA C 104 56.480 56.480 57.290 -0.810 17482 4171 1 7 . 1 1 104 104 GLU CB C 104 30.654 30.654 29.676 0.978 17482 4172 1 7 . 1 1 104 104 GLU H H 104 8.358 8.358 8.688 -0.330 17482 4173 1 7 . 1 1 105 105 ASP N N 105 122.625 122.625 122.224 0.401 17482 4174 1 7 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.730 0.168 17482 4175 1 7 . 1 1 105 105 ASP CA C 105 51.728 51.728 52.785 -1.057 17482 4176 1 7 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.703 -0.089 17482 4177 1 7 . 1 1 105 105 ASP H H 105 8.350 8.350 8.269 0.081 17482 4178 1 7 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.701 -0.235 17482 4179 1 7 . 1 1 106 106 PRO C C 106 177.605 177.605 176.592 1.013 17482 4180 1 7 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.325 0.596 17482 4181 1 7 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.276 0.021 17482 4182 1 7 . 1 1 107 107 THR N N 107 111.954 111.954 116.473 -4.519 17482 4183 1 7 . 1 1 107 107 THR HA H 107 4.281 4.281 4.338 -0.057 17482 4184 1 7 . 1 1 107 107 THR C C 107 174.889 174.889 174.837 0.052 17482 4185 1 7 . 1 1 107 107 THR CA C 107 62.896 62.896 62.520 0.376 17482 4186 1 7 . 1 1 107 107 THR CB C 107 69.593 69.593 69.606 -0.013 17482 4187 1 7 . 1 1 107 107 THR H H 107 8.355 8.355 8.641 -0.286 17482 4188 1 7 . 1 1 108 108 LYS N N 108 123.177 123.177 122.002 1.175 17482 4189 1 7 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.593 -0.238 17482 4190 1 7 . 1 1 108 108 LYS C C 108 175.406 175.406 176.427 -1.021 17482 4191 1 7 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.619 0.633 17482 4192 1 7 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.771 -0.807 17482 4193 1 7 . 1 1 108 108 LYS H H 108 7.739 7.739 8.019 -0.280 17482 4194 1 8 . 1 1 2 2 SER HA H 2 4.546 4.546 5.406 -0.860 17482 4195 1 8 . 1 1 2 2 SER CA C 2 58.499 58.499 57.170 1.329 17482 4196 1 8 . 1 1 2 2 SER CB C 2 64.011 64.011 65.246 -1.235 17482 4197 1 8 . 1 1 3 3 ASP HA H 3 4.602 4.602 5.473 -0.871 17482 4198 1 8 . 1 1 3 3 ASP C C 3 176.010 176.010 174.711 1.299 17482 4199 1 8 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.013 1.723 17482 4200 1 8 . 1 1 3 3 ASP CB C 3 41.269 41.269 42.242 -0.973 17482 4201 1 8 . 1 1 4 4 ALA N N 4 123.253 123.253 120.883 2.370 17482 4202 1 8 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.410 -0.084 17482 4203 1 8 . 1 1 4 4 ALA C C 4 178.097 178.097 176.672 1.425 17482 4204 1 8 . 1 1 4 4 ALA CA C 4 52.847 52.847 51.474 1.373 17482 4205 1 8 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.199 -0.876 17482 4206 1 8 . 1 1 4 4 ALA H H 4 8.095 8.095 8.165 -0.070 17482 4207 1 8 . 1 1 5 5 GLY N N 5 107.651 107.651 108.093 -0.442 17482 4208 1 8 . 1 1 5 5 GLY C C 5 174.828 174.828 174.484 0.344 17482 4209 1 8 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.772 0.676 17482 4210 1 8 . 1 1 5 5 GLY H H 5 8.167 8.167 8.264 -0.097 17482 4211 1 8 . 1 1 6 6 ARG N N 6 120.230 120.230 121.684 -1.454 17482 4212 1 8 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.380 -0.031 17482 4213 1 8 . 1 1 6 6 ARG C C 6 176.562 176.562 175.826 0.736 17482 4214 1 8 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.255 0.144 17482 4215 1 8 . 1 1 6 6 ARG CB C 6 30.831 30.831 30.898 -0.068 17482 4216 1 8 . 1 1 6 6 ARG H H 6 8.060 8.060 8.428 -0.368 17482 4217 1 8 . 1 1 7 7 LYS N N 7 121.076 121.076 118.801 2.275 17482 4218 1 8 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.533 -0.276 17482 4219 1 8 . 1 1 7 7 LYS C C 7 177.010 177.010 177.391 -0.381 17482 4220 1 8 . 1 1 7 7 LYS CA C 7 56.920 56.920 55.586 1.334 17482 4221 1 8 . 1 1 7 7 LYS CB C 7 32.831 32.831 34.484 -1.653 17482 4222 1 8 . 1 1 7 7 LYS H H 7 8.181 8.181 8.094 0.087 17482 4223 1 8 . 1 1 8 8 GLY N N 8 108.196 108.196 109.867 -1.671 17482 4224 1 8 . 1 1 8 8 GLY C C 8 174.828 174.828 176.205 -1.377 17482 4225 1 8 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.885 -1.056 17482 4226 1 8 . 1 1 8 8 GLY H H 8 8.141 8.141 9.080 -0.939 17482 4227 1 8 . 1 1 9 9 PHE N N 9 120.374 120.374 121.288 -0.914 17482 4228 1 8 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.563 -0.171 17482 4229 1 8 . 1 1 9 9 PHE C C 9 176.898 176.898 176.968 -0.070 17482 4230 1 8 . 1 1 9 9 PHE CA C 9 59.980 59.980 57.816 2.164 17482 4231 1 8 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.318 0.235 17482 4232 1 8 . 1 1 9 9 PHE H H 9 8.072 8.072 8.226 -0.154 17482 4233 1 8 . 1 1 10 10 GLY N N 10 107.944 107.944 108.631 -0.687 17482 4234 1 8 . 1 1 10 10 GLY C C 10 175.441 175.441 175.647 -0.206 17482 4235 1 8 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.260 -0.438 17482 4236 1 8 . 1 1 10 10 GLY H H 10 8.431 8.431 8.100 0.331 17482 4237 1 8 . 1 1 11 11 GLU N N 11 121.098 121.098 121.697 -0.599 17482 4238 1 8 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.913 0.187 17482 4239 1 8 . 1 1 11 11 GLU C C 11 175.234 175.234 179.363 -4.129 17482 4240 1 8 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.475 -0.504 17482 4241 1 8 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.410 0.488 17482 4242 1 8 . 1 1 11 11 GLU H H 11 8.003 8.003 7.713 0.290 17482 4243 1 8 . 1 1 12 12 LYS N N 12 119.103 119.103 118.430 0.673 17482 4244 1 8 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.035 0.109 17482 4245 1 8 . 1 1 12 12 LYS C C 12 178.520 178.520 178.807 -0.287 17482 4246 1 8 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.022 0.315 17482 4247 1 8 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.595 0.800 17482 4248 1 8 . 1 1 12 12 LYS H H 12 7.930 7.930 7.453 0.477 17482 4249 1 8 . 1 1 13 13 ALA N N 13 121.534 121.534 122.947 -1.413 17482 4250 1 8 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.896 0.115 17482 4251 1 8 . 1 1 13 13 ALA C C 13 178.364 178.364 179.908 -1.544 17482 4252 1 8 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.209 -0.481 17482 4253 1 8 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.832 0.628 17482 4254 1 8 . 1 1 13 13 ALA H H 13 8.216 8.216 8.373 -0.157 17482 4255 1 8 . 1 1 14 14 SER N N 14 111.263 111.263 112.742 -1.479 17482 4256 1 8 . 1 1 14 14 SER HA H 14 4.114 4.114 4.154 -0.040 17482 4257 1 8 . 1 1 14 14 SER C C 14 176.148 176.148 176.973 -0.825 17482 4258 1 8 . 1 1 14 14 SER CA C 14 61.159 61.159 62.149 -0.990 17482 4259 1 8 . 1 1 14 14 SER CB C 14 63.250 63.250 63.064 0.186 17482 4260 1 8 . 1 1 14 14 SER H H 14 8.000 8.000 8.155 -0.155 17482 4261 1 8 . 1 1 15 15 GLU N N 15 119.902 119.902 120.264 -0.362 17482 4262 1 8 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.131 0.035 17482 4263 1 8 . 1 1 15 15 GLU C C 15 177.493 177.493 177.600 -0.107 17482 4264 1 8 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.366 -0.353 17482 4265 1 8 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.635 0.306 17482 4266 1 8 . 1 1 15 15 GLU H H 15 7.724 7.724 7.378 0.346 17482 4267 1 8 . 1 1 16 16 ALA N N 16 120.687 120.687 121.412 -0.725 17482 4268 1 8 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.087 0.174 17482 4269 1 8 . 1 1 16 16 ALA C C 16 177.933 177.933 179.569 -1.636 17482 4270 1 8 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.782 -1.007 17482 4271 1 8 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.389 0.155 17482 4272 1 8 . 1 1 16 16 ALA H H 16 7.726 7.726 8.017 -0.291 17482 4273 1 8 . 1 1 17 17 LEU N N 17 116.559 116.559 115.533 1.026 17482 4274 1 8 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.090 0.269 17482 4275 1 8 . 1 1 17 17 LEU C C 17 176.277 176.277 177.364 -1.087 17482 4276 1 8 . 1 1 17 17 LEU CA C 17 54.934 54.934 57.254 -2.320 17482 4277 1 8 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.558 1.006 17482 4278 1 8 . 1 1 17 17 LEU H H 17 7.634 7.634 7.515 0.119 17482 4279 1 8 . 1 1 18 18 LYS N N 18 120.269 120.269 118.762 1.507 17482 4280 1 8 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.424 0.143 17482 4281 1 8 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.306 -0.817 17482 4282 1 8 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.082 0.438 17482 4283 1 8 . 1 1 18 18 LYS H H 18 7.761 7.761 7.444 0.317 17482 4284 1 8 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.419 0.024 17482 4285 1 8 . 1 1 19 19 PRO C C 19 176.984 176.984 175.821 1.163 17482 4286 1 8 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.200 0.633 17482 4287 1 8 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.227 0.020 17482 4288 1 8 . 1 1 20 20 ASP N N 20 119.103 119.103 115.695 3.408 17482 4289 1 8 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.706 -0.104 17482 4290 1 8 . 1 1 20 20 ASP C C 20 176.639 176.639 174.835 1.804 17482 4291 1 8 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.211 0.286 17482 4292 1 8 . 1 1 20 20 ASP CB C 20 41.231 41.231 40.584 0.647 17482 4293 1 8 . 1 1 20 20 ASP H H 20 8.383 8.383 8.354 0.029 17482 4294 1 8 . 1 1 21 21 SER N N 21 115.970 115.970 113.903 2.067 17482 4295 1 8 . 1 1 21 21 SER HA H 21 4.376 4.376 4.637 -0.261 17482 4296 1 8 . 1 1 21 21 SER C C 21 174.889 174.889 173.518 1.371 17482 4297 1 8 . 1 1 21 21 SER CA C 21 59.093 59.093 57.864 1.229 17482 4298 1 8 . 1 1 21 21 SER CB C 21 63.860 63.860 64.905 -1.045 17482 4299 1 8 . 1 1 21 21 SER H H 21 8.054 8.054 7.687 0.367 17482 4300 1 8 . 1 1 22 22 GLN N N 22 120.766 120.766 119.121 1.645 17482 4301 1 8 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.479 -0.201 17482 4302 1 8 . 1 1 22 22 GLN C C 22 175.984 175.984 176.332 -0.348 17482 4303 1 8 . 1 1 22 22 GLN CA C 22 56.739 56.739 55.977 0.762 17482 4304 1 8 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.829 -0.638 17482 4305 1 8 . 1 1 22 22 GLN H H 22 8.452 8.452 8.581 -0.129 17482 4306 1 8 . 1 1 23 23 LYS N N 23 120.410 120.410 121.032 -0.622 17482 4307 1 8 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.482 -0.145 17482 4308 1 8 . 1 1 23 23 LYS C C 23 176.191 176.191 175.682 0.509 17482 4309 1 8 . 1 1 23 23 LYS CA C 23 56.208 56.208 55.867 0.341 17482 4310 1 8 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.621 1.115 17482 4311 1 8 . 1 1 23 23 LYS H H 23 7.935 7.935 7.955 -0.020 17482 4312 1 8 . 1 1 24 24 SER N N 24 117.302 117.302 111.739 5.563 17482 4313 1 8 . 1 1 24 24 SER HA H 24 4.492 4.492 4.106 0.386 17482 4314 1 8 . 1 1 24 24 SER C C 24 175.717 175.717 174.793 0.924 17482 4315 1 8 . 1 1 24 24 SER CA C 24 58.145 58.145 59.208 -1.063 17482 4316 1 8 . 1 1 24 24 SER CB C 24 63.815 63.815 62.645 1.169 17482 4317 1 8 . 1 1 24 24 SER H H 24 8.365 8.365 8.248 0.117 17482 4318 1 8 . 1 1 25 25 TYR N N 25 121.904 121.904 120.975 0.929 17482 4319 1 8 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.250 0.132 17482 4320 1 8 . 1 1 25 25 TYR C C 25 177.752 177.752 176.878 0.874 17482 4321 1 8 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.580 -0.635 17482 4322 1 8 . 1 1 25 25 TYR CB C 25 37.821 37.821 38.069 -0.248 17482 4323 1 8 . 1 1 25 25 TYR H H 25 8.205 8.205 7.819 0.386 17482 4324 1 8 . 1 1 26 26 ALA N N 26 121.123 121.123 121.315 -0.192 17482 4325 1 8 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.890 0.167 17482 4326 1 8 . 1 1 26 26 ALA C C 26 179.037 179.037 179.448 -0.411 17482 4327 1 8 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.788 -0.251 17482 4328 1 8 . 1 1 26 26 ALA CB C 26 18.474 18.474 17.928 0.546 17482 4329 1 8 . 1 1 26 26 ALA H H 26 8.233 8.233 8.288 -0.055 17482 4330 1 8 . 1 1 27 27 GLU N N 27 117.313 117.313 118.203 -0.890 17482 4331 1 8 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.085 -0.068 17482 4332 1 8 . 1 1 27 27 GLU C C 27 179.166 179.166 179.009 0.157 17482 4333 1 8 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.116 0.362 17482 4334 1 8 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.662 0.204 17482 4335 1 8 . 1 1 27 27 GLU H H 27 7.922 7.922 7.894 0.028 17482 4336 1 8 . 1 1 28 28 GLN N N 28 118.602 118.602 119.466 -0.864 17482 4337 1 8 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.883 0.305 17482 4338 1 8 . 1 1 28 28 GLN C C 28 179.132 179.132 178.862 0.270 17482 4339 1 8 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.774 0.071 17482 4340 1 8 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.393 0.989 17482 4341 1 8 . 1 1 28 28 GLN H H 28 8.179 8.179 7.608 0.571 17482 4342 1 8 . 1 1 29 29 GLY N N 29 107.984 107.984 107.008 0.976 17482 4343 1 8 . 1 1 29 29 GLY C C 29 174.518 174.518 175.742 -1.224 17482 4344 1 8 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.784 0.802 17482 4345 1 8 . 1 1 29 29 GLY H H 29 8.804 8.804 8.649 0.155 17482 4346 1 8 . 1 1 30 30 LYS N N 30 121.339 121.339 122.174 -0.835 17482 4347 1 8 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.898 0.063 17482 4348 1 8 . 1 1 30 30 LYS C C 30 178.925 178.925 179.210 -0.285 17482 4349 1 8 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.218 0.182 17482 4350 1 8 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.258 0.169 17482 4351 1 8 . 1 1 30 30 LYS H H 30 8.406 8.406 7.503 0.903 17482 4352 1 8 . 1 1 31 31 GLU N N 31 119.880 119.880 118.355 1.525 17482 4353 1 8 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.026 0.014 17482 4354 1 8 . 1 1 31 31 GLU C C 31 177.761 177.761 179.067 -1.306 17482 4355 1 8 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.272 0.259 17482 4356 1 8 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.468 0.063 17482 4357 1 8 . 1 1 31 31 GLU H H 31 8.090 8.090 8.171 -0.081 17482 4358 1 8 . 1 1 32 32 TYR N N 32 119.786 119.786 121.276 -1.490 17482 4359 1 8 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.185 0.086 17482 4360 1 8 . 1 1 32 32 TYR C C 32 178.054 178.054 177.885 0.169 17482 4361 1 8 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.847 -0.127 17482 4362 1 8 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.596 0.335 17482 4363 1 8 . 1 1 32 32 TYR H H 32 8.052 8.052 7.791 0.261 17482 4364 1 8 . 1 1 33 33 ILE N N 33 116.856 116.856 118.012 -1.156 17482 4365 1 8 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.708 0.084 17482 4366 1 8 . 1 1 33 33 ILE C C 33 177.519 177.519 178.098 -0.579 17482 4367 1 8 . 1 1 33 33 ILE CA C 33 64.019 64.019 64.984 -0.965 17482 4368 1 8 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.614 0.498 17482 4369 1 8 . 1 1 33 33 ILE H H 33 8.249 8.249 8.203 0.046 17482 4370 1 8 . 1 1 34 34 THR N N 34 114.203 114.203 116.552 -2.349 17482 4371 1 8 . 1 1 34 34 THR HA H 34 3.934 3.934 4.036 -0.102 17482 4372 1 8 . 1 1 34 34 THR C C 34 176.579 176.579 176.276 0.303 17482 4373 1 8 . 1 1 34 34 THR CA C 34 66.459 66.459 67.024 -0.565 17482 4374 1 8 . 1 1 34 34 THR CB C 34 68.845 68.845 68.218 0.627 17482 4375 1 8 . 1 1 34 34 THR H H 34 8.254 8.254 8.054 0.200 17482 4376 1 8 . 1 1 35 35 ASP N N 35 121.116 121.116 120.470 0.646 17482 4377 1 8 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.424 0.072 17482 4378 1 8 . 1 1 35 35 ASP C C 35 177.933 177.933 177.970 -0.037 17482 4379 1 8 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.048 0.014 17482 4380 1 8 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.679 1.149 17482 4381 1 8 . 1 1 35 35 ASP H H 35 7.880 7.880 7.836 0.044 17482 4382 1 8 . 1 1 36 36 LYS N N 36 116.457 116.457 119.360 -2.903 17482 4383 1 8 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.062 0.095 17482 4384 1 8 . 1 1 36 36 LYS C C 36 177.968 177.968 178.598 -0.630 17482 4385 1 8 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.762 -1.891 17482 4386 1 8 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.261 -0.348 17482 4387 1 8 . 1 1 36 36 LYS H H 36 7.677 7.677 7.279 0.398 17482 4388 1 8 . 1 1 37 37 ALA N N 37 121.588 121.588 121.356 0.232 17482 4389 1 8 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.011 -0.006 17482 4390 1 8 . 1 1 37 37 ALA C C 37 178.795 178.795 179.637 -0.842 17482 4391 1 8 . 1 1 37 37 ALA CA C 37 55.331 55.331 55.260 0.071 17482 4392 1 8 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.212 0.262 17482 4393 1 8 . 1 1 37 37 ALA H H 37 8.296 8.296 8.057 0.239 17482 4394 1 8 . 1 1 38 38 ASP N N 38 116.490 116.490 118.223 -1.733 17482 4395 1 8 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.510 -0.101 17482 4396 1 8 . 1 1 38 38 ASP C C 38 178.347 178.347 178.417 -0.070 17482 4397 1 8 . 1 1 38 38 ASP CA C 38 56.729 56.729 56.755 -0.026 17482 4398 1 8 . 1 1 38 38 ASP CB C 38 41.048 41.048 40.926 0.122 17482 4399 1 8 . 1 1 38 38 ASP H H 38 8.046 8.046 7.614 0.432 17482 4400 1 8 . 1 1 39 39 LYS N N 39 118.627 118.627 120.683 -2.056 17482 4401 1 8 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.073 0.075 17482 4402 1 8 . 1 1 39 39 LYS C C 39 178.588 178.588 179.070 -0.482 17482 4403 1 8 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.501 -1.275 17482 4404 1 8 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.614 0.044 17482 4405 1 8 . 1 1 39 39 LYS H H 39 7.757 7.757 7.421 0.336 17482 4406 1 8 . 1 1 40 40 VAL N N 40 116.146 116.146 119.233 -3.087 17482 4407 1 8 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.953 -0.044 17482 4408 1 8 . 1 1 40 40 VAL C C 40 176.683 176.683 177.540 -0.857 17482 4409 1 8 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.037 -0.629 17482 4410 1 8 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.250 1.084 17482 4411 1 8 . 1 1 40 40 VAL H H 40 7.792 7.792 8.403 -0.611 17482 4412 1 8 . 1 1 41 41 ALA N N 41 122.561 122.561 121.004 1.557 17482 4413 1 8 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.242 -0.119 17482 4414 1 8 . 1 1 41 41 ALA C C 41 179.106 179.106 179.849 -0.743 17482 4415 1 8 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.634 -0.105 17482 4416 1 8 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.491 0.109 17482 4417 1 8 . 1 1 41 41 ALA H H 41 8.094 8.094 7.474 0.620 17482 4418 1 8 . 1 1 42 42 GLY N N 42 105.072 105.072 106.525 -1.453 17482 4419 1 8 . 1 1 42 42 GLY C C 42 174.941 174.941 176.086 -1.145 17482 4420 1 8 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.448 -0.421 17482 4421 1 8 . 1 1 42 42 GLY H H 42 8.044 8.044 8.273 -0.229 17482 4422 1 8 . 1 1 43 43 LYS N N 43 119.123 119.123 119.176 -0.053 17482 4423 1 8 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.200 0.141 17482 4424 1 8 . 1 1 43 43 LYS C C 43 176.631 176.631 176.033 0.598 17482 4425 1 8 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.946 -0.149 17482 4426 1 8 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.714 0.682 17482 4427 1 8 . 1 1 43 43 LYS H H 43 7.834 7.834 8.144 -0.310 17482 4428 1 8 . 1 1 44 44 VAL N N 44 116.413 116.413 119.284 -2.871 17482 4429 1 8 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.164 -0.018 17482 4430 1 8 . 1 1 44 44 VAL C C 44 175.018 175.018 174.960 0.058 17482 4431 1 8 . 1 1 44 44 VAL CA C 44 62.331 62.331 61.134 1.197 17482 4432 1 8 . 1 1 44 44 VAL CB C 44 32.641 32.641 33.769 -1.128 17482 4433 1 8 . 1 1 44 44 VAL H H 44 7.650 7.650 7.118 0.532 17482 4434 1 8 . 1 1 45 45 GLN N N 45 122.078 122.078 122.751 -0.673 17482 4435 1 8 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.120 0.539 17482 4436 1 8 . 1 1 45 45 GLN CA C 45 53.664 53.664 55.739 -2.075 17482 4437 1 8 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.002 1.327 17482 4438 1 8 . 1 1 45 45 GLN H H 45 8.154 8.154 8.623 -0.469 17482 4439 1 8 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.541 -0.108 17482 4440 1 8 . 1 1 46 46 PRO C C 46 177.329 177.329 176.277 1.052 17482 4441 1 8 . 1 1 46 46 PRO CA C 46 63.754 63.754 63.216 0.538 17482 4442 1 8 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.241 -0.010 17482 4443 1 8 . 1 1 47 47 GLU N N 47 119.456 119.456 117.855 1.601 17482 4444 1 8 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.224 -0.013 17482 4445 1 8 . 1 1 47 47 GLU C C 47 176.484 176.484 175.431 1.053 17482 4446 1 8 . 1 1 47 47 GLU CA C 47 57.468 57.468 57.218 0.250 17482 4447 1 8 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.195 1.134 17482 4448 1 8 . 1 1 47 47 GLU H H 47 8.491 8.491 8.562 -0.071 17482 4449 1 8 . 1 1 48 48 ASP N N 48 119.108 119.108 119.356 -0.248 17482 4450 1 8 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.792 -0.207 17482 4451 1 8 . 1 1 48 48 ASP C C 48 175.863 175.863 175.995 -0.132 17482 4452 1 8 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.311 1.268 17482 4453 1 8 . 1 1 48 48 ASP CB C 48 41.131 41.131 40.336 0.796 17482 4454 1 8 . 1 1 48 48 ASP H H 48 8.137 8.137 8.103 0.034 17482 4455 1 8 . 1 1 49 49 ASN N N 49 117.714 117.714 118.186 -0.472 17482 4456 1 8 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.885 -0.220 17482 4457 1 8 . 1 1 49 49 ASN C C 49 174.975 174.975 174.003 0.972 17482 4458 1 8 . 1 1 49 49 ASN CA C 49 53.728 53.728 52.489 1.239 17482 4459 1 8 . 1 1 49 49 ASN CB C 49 39.131 39.131 40.730 -1.599 17482 4460 1 8 . 1 1 49 49 ASN H H 49 8.173 8.173 7.810 0.363 17482 4461 1 8 . 1 1 50 50 LYS N N 50 120.215 120.215 119.198 1.017 17482 4462 1 8 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.601 -0.293 17482 4463 1 8 . 1 1 50 50 LYS C C 50 176.950 176.950 175.669 1.281 17482 4464 1 8 . 1 1 50 50 LYS CA C 50 56.828 56.828 55.600 1.228 17482 4465 1 8 . 1 1 50 50 LYS CB C 50 33.031 33.031 32.777 0.254 17482 4466 1 8 . 1 1 50 50 LYS H H 50 8.098 8.098 8.449 -0.351 17482 4467 1 8 . 1 1 51 51 GLY N N 51 109.286 109.286 112.572 -3.286 17482 4468 1 8 . 1 1 51 51 GLY C C 51 175.251 175.251 174.068 1.183 17482 4469 1 8 . 1 1 51 51 GLY CA C 51 45.913 45.913 44.493 1.420 17482 4470 1 8 . 1 1 51 51 GLY H H 51 8.295 8.295 8.434 -0.139 17482 4471 1 8 . 1 1 52 52 VAL N N 52 119.528 119.528 122.878 -3.350 17482 4472 1 8 . 1 1 52 52 VAL HA H 52 3.864 3.864 4.178 -0.314 17482 4473 1 8 . 1 1 52 52 VAL C C 52 176.372 176.372 177.087 -0.715 17482 4474 1 8 . 1 1 52 52 VAL CA C 52 64.346 64.346 63.205 1.141 17482 4475 1 8 . 1 1 52 52 VAL CB C 52 32.230 32.230 32.045 0.185 17482 4476 1 8 . 1 1 52 52 VAL H H 52 7.940 7.940 8.194 -0.254 17482 4477 1 8 . 1 1 53 53 PHE N N 53 118.265 118.265 121.268 -3.003 17482 4478 1 8 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.271 0.322 17482 4479 1 8 . 1 1 53 53 PHE C C 53 176.441 176.441 177.685 -1.244 17482 4480 1 8 . 1 1 53 53 PHE CA C 53 58.676 58.676 61.116 -2.440 17482 4481 1 8 . 1 1 53 53 PHE CB C 53 38.635 38.635 37.894 0.741 17482 4482 1 8 . 1 1 53 53 PHE H H 53 8.046 8.046 8.399 -0.353 17482 4483 1 8 . 1 1 54 54 GLN N N 54 119.441 119.441 116.924 2.517 17482 4484 1 8 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.057 0.114 17482 4485 1 8 . 1 1 54 54 GLN C C 54 177.166 177.166 178.516 -1.350 17482 4486 1 8 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.053 -1.504 17482 4487 1 8 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.230 1.269 17482 4488 1 8 . 1 1 54 54 GLN H H 54 7.978 7.978 8.739 -0.761 17482 4489 1 8 . 1 1 55 55 GLY N N 55 107.822 107.822 106.331 1.491 17482 4490 1 8 . 1 1 55 55 GLY C C 55 175.294 175.294 175.557 -0.263 17482 4491 1 8 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.364 -0.176 17482 4492 1 8 . 1 1 55 55 GLY H H 55 8.120 8.120 8.207 -0.087 17482 4493 1 8 . 1 1 56 56 VAL N N 56 119.174 119.174 121.687 -2.513 17482 4494 1 8 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.548 0.424 17482 4495 1 8 . 1 1 56 56 VAL C C 56 176.527 176.527 176.893 -0.366 17482 4496 1 8 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.939 -1.935 17482 4497 1 8 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.318 0.874 17482 4498 1 8 . 1 1 56 56 VAL H H 56 7.774 7.774 7.169 0.605 17482 4499 1 8 . 1 1 57 57 HIS N N 57 119.221 119.221 116.735 2.486 17482 4500 1 8 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.471 0.071 17482 4501 1 8 . 1 1 57 57 HIS CA C 57 56.973 56.973 57.561 -0.588 17482 4502 1 8 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.383 -0.775 17482 4503 1 8 . 1 1 57 57 HIS H H 57 8.201 8.201 7.585 0.616 17482 4504 1 8 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.515 0.065 17482 4505 1 8 . 1 1 58 58 ASP C C 58 177.097 177.097 178.284 -1.187 17482 4506 1 8 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.462 -1.441 17482 4507 1 8 . 1 1 58 58 ASP CB C 58 41.236 41.236 41.113 0.123 17482 4508 1 8 . 1 1 59 59 SER N N 59 116.347 116.347 115.964 0.383 17482 4509 1 8 . 1 1 59 59 SER HA H 59 4.372 4.372 4.180 0.192 17482 4510 1 8 . 1 1 59 59 SER C C 59 175.087 175.087 175.928 -0.841 17482 4511 1 8 . 1 1 59 59 SER CA C 59 59.207 59.207 61.204 -1.997 17482 4512 1 8 . 1 1 59 59 SER CB C 59 63.780 63.780 62.840 0.940 17482 4513 1 8 . 1 1 59 59 SER H H 59 8.134 8.134 8.520 -0.386 17482 4514 1 8 . 1 1 60 60 ALA N N 60 125.097 125.097 122.930 2.167 17482 4515 1 8 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.118 0.135 17482 4516 1 8 . 1 1 60 60 ALA C C 60 178.192 178.192 178.641 -0.449 17482 4517 1 8 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.231 -0.670 17482 4518 1 8 . 1 1 60 60 ALA CB C 60 19.078 19.078 19.105 -0.028 17482 4519 1 8 . 1 1 60 60 ALA H H 60 8.203 8.203 7.854 0.349 17482 4520 1 8 . 1 1 61 61 GLU N N 61 118.432 118.432 116.591 1.841 17482 4521 1 8 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.429 -0.229 17482 4522 1 8 . 1 1 61 61 GLU C C 61 177.036 177.036 176.669 0.367 17482 4523 1 8 . 1 1 61 61 GLU CA C 61 57.224 57.224 56.425 0.799 17482 4524 1 8 . 1 1 61 61 GLU CB C 61 30.228 30.228 31.168 -0.940 17482 4525 1 8 . 1 1 61 61 GLU H H 61 8.095 8.095 7.916 0.179 17482 4526 1 8 . 1 1 62 62 LYS N N 62 120.770 120.770 118.238 2.532 17482 4527 1 8 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.013 0.284 17482 4528 1 8 . 1 1 62 62 LYS C C 62 177.450 177.450 175.153 2.297 17482 4529 1 8 . 1 1 62 62 LYS CA C 62 56.826 56.826 57.498 -0.672 17482 4530 1 8 . 1 1 62 62 LYS CB C 62 32.943 32.943 32.405 0.538 17482 4531 1 8 . 1 1 62 62 LYS H H 62 7.969 7.969 8.025 -0.056 17482 4532 1 8 . 1 1 63 63 GLY N N 63 108.912 108.912 108.508 0.404 17482 4533 1 8 . 1 1 63 63 GLY C C 63 174.432 174.432 173.147 1.285 17482 4534 1 8 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.573 1.178 17482 4535 1 8 . 1 1 63 63 GLY H H 63 8.287 8.287 8.315 -0.028 17482 4536 1 8 . 1 1 64 64 LYS N N 64 120.529 120.529 119.468 1.061 17482 4537 1 8 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.278 0.020 17482 4538 1 8 . 1 1 64 64 LYS C C 64 176.622 176.622 175.287 1.335 17482 4539 1 8 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.243 0.488 17482 4540 1 8 . 1 1 64 64 LYS CB C 64 33.117 33.117 33.251 -0.134 17482 4541 1 8 . 1 1 64 64 LYS H H 64 8.019 8.019 7.822 0.197 17482 4542 1 8 . 1 1 65 65 ASP N N 65 120.673 120.673 118.718 1.955 17482 4543 1 8 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.780 -0.200 17482 4544 1 8 . 1 1 65 65 ASP C C 65 176.226 176.226 174.531 1.695 17482 4545 1 8 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.569 1.214 17482 4546 1 8 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.050 -0.877 17482 4547 1 8 . 1 1 65 65 ASP H H 65 8.296 8.296 8.144 0.152 17482 4548 1 8 . 1 1 66 66 ASN N N 66 118.902 118.902 118.565 0.337 17482 4549 1 8 . 1 1 66 66 ASN HA H 66 4.690 4.690 5.156 -0.466 17482 4550 1 8 . 1 1 66 66 ASN C C 66 175.217 175.217 174.233 0.984 17482 4551 1 8 . 1 1 66 66 ASN CA C 66 53.475 53.475 52.878 0.597 17482 4552 1 8 . 1 1 66 66 ASN CB C 66 39.117 39.117 40.353 -1.236 17482 4553 1 8 . 1 1 66 66 ASN H H 66 8.212 8.212 8.488 -0.276 17482 4554 1 8 . 1 1 67 67 ALA N N 67 124.149 124.149 122.208 1.941 17482 4555 1 8 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.855 -0.555 17482 4556 1 8 . 1 1 67 67 ALA C C 67 177.890 177.890 175.665 2.225 17482 4557 1 8 . 1 1 67 67 ALA CA C 67 53.053 53.053 51.871 1.182 17482 4558 1 8 . 1 1 67 67 ALA CB C 67 19.427 19.427 21.341 -1.914 17482 4559 1 8 . 1 1 67 67 ALA H H 67 8.212 8.212 8.581 -0.369 17482 4560 1 8 . 1 1 68 68 GLU N N 68 119.216 119.216 117.717 1.499 17482 4561 1 8 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.846 -0.575 17482 4562 1 8 . 1 1 68 68 GLU C C 68 177.243 177.243 175.384 1.859 17482 4563 1 8 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.494 0.303 17482 4564 1 8 . 1 1 68 68 GLU CB C 68 30.159 30.159 31.759 -1.599 17482 4565 1 8 . 1 1 68 68 GLU H H 68 8.286 8.286 9.511 -1.225 17482 4566 1 8 . 1 1 69 69 GLY N N 69 109.637 109.637 108.596 1.041 17482 4567 1 8 . 1 1 69 69 GLY C C 69 174.371 174.371 172.800 1.571 17482 4568 1 8 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.021 0.613 17482 4569 1 8 . 1 1 69 69 GLY H H 69 8.293 8.293 8.579 -0.286 17482 4570 1 8 . 1 1 70 70 GLN N N 70 119.629 119.629 117.707 1.922 17482 4571 1 8 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.288 0.105 17482 4572 1 8 . 1 1 70 70 GLN C C 70 176.502 176.502 174.087 2.415 17482 4573 1 8 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.764 0.282 17482 4574 1 8 . 1 1 70 70 GLN CB C 70 29.627 29.627 30.110 -0.483 17482 4575 1 8 . 1 1 70 70 GLN H H 70 8.201 8.201 8.411 -0.210 17482 4576 1 8 . 1 1 71 71 GLY N N 71 109.977 109.977 109.748 0.229 17482 4577 1 8 . 1 1 71 71 GLY C C 71 173.992 173.992 172.689 1.303 17482 4578 1 8 . 1 1 71 71 GLY CA C 71 45.634 45.634 45.139 0.495 17482 4579 1 8 . 1 1 71 71 GLY H H 71 8.424 8.424 8.795 -0.371 17482 4580 1 8 . 1 1 72 72 GLU N N 72 120.532 120.532 121.016 -0.484 17482 4581 1 8 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.860 -0.449 17482 4582 1 8 . 1 1 72 72 GLU C C 72 176.639 176.639 174.924 1.715 17482 4583 1 8 . 1 1 72 72 GLU CA C 72 56.618 56.618 55.237 1.381 17482 4584 1 8 . 1 1 72 72 GLU CB C 72 30.731 30.731 31.457 -0.726 17482 4585 1 8 . 1 1 72 72 GLU H H 72 8.244 8.244 8.711 -0.467 17482 4586 1 8 . 1 1 73 73 SER N N 73 117.827 117.827 119.274 -1.447 17482 4587 1 8 . 1 1 73 73 SER HA H 73 4.589 4.589 4.587 0.002 17482 4588 1 8 . 1 1 73 73 SER C C 73 175.475 175.475 173.855 1.620 17482 4589 1 8 . 1 1 73 73 SER CA C 73 58.064 58.064 57.670 0.394 17482 4590 1 8 . 1 1 73 73 SER CB C 73 64.761 64.761 64.429 0.332 17482 4591 1 8 . 1 1 73 73 SER H H 73 8.689 8.689 8.429 0.260 17482 4592 1 8 . 1 1 74 74 LEU N N 74 124.414 124.414 126.185 -1.771 17482 4593 1 8 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.052 0.149 17482 4594 1 8 . 1 1 74 74 LEU C C 74 178.735 178.735 177.631 1.104 17482 4595 1 8 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.030 0.865 17482 4596 1 8 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.861 0.073 17482 4597 1 8 . 1 1 74 74 LEU H H 74 8.514 8.514 8.480 0.034 17482 4598 1 8 . 1 1 75 75 ALA N N 75 120.291 120.291 120.107 0.184 17482 4599 1 8 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.972 0.018 17482 4600 1 8 . 1 1 75 75 ALA C C 75 179.046 179.046 180.076 -1.030 17482 4601 1 8 . 1 1 75 75 ALA CA C 75 55.267 55.267 55.095 0.172 17482 4602 1 8 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.771 0.823 17482 4603 1 8 . 1 1 75 75 ALA H H 75 8.160 8.160 8.253 -0.093 17482 4604 1 8 . 1 1 76 76 ASP N N 76 117.288 117.288 117.509 -0.221 17482 4605 1 8 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.470 -0.064 17482 4606 1 8 . 1 1 76 76 ASP C C 76 178.476 178.476 178.455 0.021 17482 4607 1 8 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.963 0.170 17482 4608 1 8 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.282 -0.630 17482 4609 1 8 . 1 1 76 76 ASP H H 76 7.773 7.773 7.966 -0.193 17482 4610 1 8 . 1 1 77 77 GLN N N 77 119.454 119.454 119.544 -0.090 17482 4611 1 8 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.191 -0.029 17482 4612 1 8 . 1 1 77 77 GLN C C 77 178.037 178.037 177.838 0.199 17482 4613 1 8 . 1 1 77 77 GLN CA C 77 58.381 58.381 57.965 0.416 17482 4614 1 8 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.284 1.196 17482 4615 1 8 . 1 1 77 77 GLN H H 77 7.994 7.994 7.448 0.546 17482 4616 1 8 . 1 1 78 78 ALA N N 78 121.577 121.577 123.809 -2.232 17482 4617 1 8 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.178 -0.029 17482 4618 1 8 . 1 1 78 78 ALA C C 78 178.977 178.977 179.720 -0.743 17482 4619 1 8 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.236 -0.105 17482 4620 1 8 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.224 0.431 17482 4621 1 8 . 1 1 78 78 ALA H H 78 8.498 8.498 8.474 0.024 17482 4622 1 8 . 1 1 79 79 ARG N N 79 117.138 117.138 118.213 -1.075 17482 4623 1 8 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.070 -0.058 17482 4624 1 8 . 1 1 79 79 ARG C C 79 175.449 175.449 178.748 -3.299 17482 4625 1 8 . 1 1 79 79 ARG CA C 79 59.503 59.503 58.992 0.511 17482 4626 1 8 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.752 0.394 17482 4627 1 8 . 1 1 79 79 ARG H H 79 8.101 8.101 7.700 0.401 17482 4628 1 8 . 1 1 80 80 ASP N N 80 120.784 120.784 119.807 0.977 17482 4629 1 8 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.520 -0.007 17482 4630 1 8 . 1 1 80 80 ASP C C 80 178.882 178.882 178.526 0.356 17482 4631 1 8 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.109 -0.233 17482 4632 1 8 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.087 -0.759 17482 4633 1 8 . 1 1 80 80 ASP H H 80 8.000 8.000 7.621 0.379 17482 4634 1 8 . 1 1 81 81 TYR N N 81 120.298 120.298 121.512 -1.214 17482 4635 1 8 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.310 0.121 17482 4636 1 8 . 1 1 81 81 TYR C C 81 177.855 177.855 177.811 0.044 17482 4637 1 8 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.346 0.487 17482 4638 1 8 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.728 -0.250 17482 4639 1 8 . 1 1 81 81 TYR H H 81 8.127 8.127 7.778 0.349 17482 4640 1 8 . 1 1 82 82 MET N N 82 118.452 118.452 117.635 0.817 17482 4641 1 8 . 1 1 82 82 MET HA H 82 4.239 4.239 3.948 0.291 17482 4642 1 8 . 1 1 82 82 MET C C 82 178.175 178.175 178.745 -0.570 17482 4643 1 8 . 1 1 82 82 MET CA C 82 58.757 58.757 58.335 0.422 17482 4644 1 8 . 1 1 82 82 MET CB C 82 32.631 32.631 32.033 0.598 17482 4645 1 8 . 1 1 82 82 MET H H 82 8.382 8.382 8.731 -0.349 17482 4646 1 8 . 1 1 83 83 GLY N N 83 106.740 106.740 105.446 1.294 17482 4647 1 8 . 1 1 83 83 GLY C C 83 176.717 176.717 175.207 1.510 17482 4648 1 8 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.214 0.117 17482 4649 1 8 . 1 1 83 83 GLY H H 83 8.308 8.308 8.014 0.294 17482 4650 1 8 . 1 1 84 84 ALA N N 84 125.357 125.357 123.001 2.356 17482 4651 1 8 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.296 -0.009 17482 4652 1 8 . 1 1 84 84 ALA C C 84 180.149 180.149 179.116 1.033 17482 4653 1 8 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.131 0.517 17482 4654 1 8 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.408 0.133 17482 4655 1 8 . 1 1 84 84 ALA H H 84 7.905 7.905 7.529 0.376 17482 4656 1 8 . 1 1 85 85 ALA N N 85 121.332 121.332 121.458 -0.126 17482 4657 1 8 . 1 1 85 85 ALA HA H 85 4.025 4.025 4.015 0.010 17482 4658 1 8 . 1 1 85 85 ALA C C 85 178.847 178.847 179.578 -0.731 17482 4659 1 8 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.737 0.546 17482 4660 1 8 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.285 0.202 17482 4661 1 8 . 1 1 85 85 ALA H H 85 8.341 8.341 7.763 0.578 17482 4662 1 8 . 1 1 86 86 LYS N N 86 116.980 116.980 119.701 -2.721 17482 4663 1 8 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.899 -0.027 17482 4664 1 8 . 1 1 86 86 LYS C C 86 178.485 178.485 178.748 -0.263 17482 4665 1 8 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.927 0.266 17482 4666 1 8 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.199 0.132 17482 4667 1 8 . 1 1 86 86 LYS H H 86 8.360 8.360 7.816 0.544 17482 4668 1 8 . 1 1 87 87 SER N N 87 113.632 113.632 114.194 -0.562 17482 4669 1 8 . 1 1 87 87 SER HA H 87 4.299 4.299 4.066 0.233 17482 4670 1 8 . 1 1 87 87 SER C C 87 176.467 176.467 176.469 -0.002 17482 4671 1 8 . 1 1 87 87 SER CA C 87 61.614 61.614 61.472 0.142 17482 4672 1 8 . 1 1 87 87 SER CB C 87 63.064 63.064 62.921 0.143 17482 4673 1 8 . 1 1 87 87 SER H H 87 7.863 7.863 7.640 0.223 17482 4674 1 8 . 1 1 88 88 LYS N N 88 120.925 120.925 121.350 -0.425 17482 4675 1 8 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.037 0.308 17482 4676 1 8 . 1 1 88 88 LYS C C 88 178.502 178.502 178.917 -0.415 17482 4677 1 8 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.559 -0.863 17482 4678 1 8 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.179 -0.168 17482 4679 1 8 . 1 1 88 88 LYS H H 88 7.843 7.843 7.476 0.367 17482 4680 1 8 . 1 1 89 89 LEU N N 89 119.955 119.955 120.930 -0.975 17482 4681 1 8 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.903 0.202 17482 4682 1 8 . 1 1 89 89 LEU C C 89 178.209 178.209 178.415 -0.206 17482 4683 1 8 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.997 0.200 17482 4684 1 8 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.632 -0.001 17482 4685 1 8 . 1 1 89 89 LEU H H 89 8.174 8.174 8.404 -0.230 17482 4686 1 8 . 1 1 90 90 ASN N N 90 117.013 117.013 116.451 0.562 17482 4687 1 8 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.362 0.031 17482 4688 1 8 . 1 1 90 90 ASN C C 90 174.164 174.164 177.506 -3.342 17482 4689 1 8 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.821 0.345 17482 4690 1 8 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.290 0.662 17482 4691 1 8 . 1 1 90 90 ASN H H 90 8.223 8.223 8.267 -0.044 17482 4692 1 8 . 1 1 91 91 ASP N N 91 119.959 119.959 118.702 1.257 17482 4693 1 8 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.469 -0.012 17482 4694 1 8 . 1 1 91 91 ASP C C 91 178.804 178.804 177.769 1.035 17482 4695 1 8 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.446 -0.008 17482 4696 1 8 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.664 -0.485 17482 4697 1 8 . 1 1 91 91 ASP H H 91 8.043 8.043 7.493 0.550 17482 4698 1 8 . 1 1 92 92 ALA N N 92 123.900 123.900 122.560 1.340 17482 4699 1 8 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.282 -0.079 17482 4700 1 8 . 1 1 92 92 ALA C C 92 178.951 178.951 179.586 -0.635 17482 4701 1 8 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.980 0.557 17482 4702 1 8 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.760 -0.256 17482 4703 1 8 . 1 1 92 92 ALA H H 92 8.256 8.256 7.624 0.632 17482 4704 1 8 . 1 1 93 93 VAL N N 93 118.228 118.228 119.583 -1.355 17482 4705 1 8 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.548 0.046 17482 4706 1 8 . 1 1 93 93 VAL C C 93 178.761 178.761 178.117 0.644 17482 4707 1 8 . 1 1 93 93 VAL CA C 93 67.157 67.157 66.746 0.411 17482 4708 1 8 . 1 1 93 93 VAL CB C 93 31.795 31.795 30.420 1.375 17482 4709 1 8 . 1 1 93 93 VAL H H 93 8.449 8.449 8.670 -0.221 17482 4710 1 8 . 1 1 94 94 GLU N N 94 120.485 120.485 119.423 1.062 17482 4711 1 8 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.954 0.091 17482 4712 1 8 . 1 1 94 94 GLU C C 94 179.347 179.347 179.367 -0.020 17482 4713 1 8 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.089 -0.458 17482 4714 1 8 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.529 0.003 17482 4715 1 8 . 1 1 94 94 GLU H H 94 8.175 8.175 7.855 0.320 17482 4716 1 8 . 1 1 95 95 TYR N N 95 120.806 120.806 119.566 1.240 17482 4717 1 8 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.285 -0.057 17482 4718 1 8 . 1 1 95 95 TYR C C 95 178.407 178.407 177.568 0.839 17482 4719 1 8 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.173 0.388 17482 4720 1 8 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.545 0.086 17482 4721 1 8 . 1 1 95 95 TYR H H 95 8.197 8.197 7.388 0.809 17482 4722 1 8 . 1 1 96 96 VAL N N 96 118.584 118.584 119.822 -1.238 17482 4723 1 8 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.595 -0.112 17482 4724 1 8 . 1 1 96 96 VAL C C 96 177.752 177.752 177.817 -0.065 17482 4725 1 8 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.143 -0.463 17482 4726 1 8 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.534 0.488 17482 4727 1 8 . 1 1 96 96 VAL H H 96 8.525 8.525 8.504 0.021 17482 4728 1 8 . 1 1 97 97 SER N N 97 114.566 114.566 114.816 -0.250 17482 4729 1 8 . 1 1 97 97 SER HA H 97 4.080 4.080 4.129 -0.049 17482 4730 1 8 . 1 1 97 97 SER C C 97 176.803 176.803 177.049 -0.246 17482 4731 1 8 . 1 1 97 97 SER CA C 97 61.800 61.800 62.450 -0.650 17482 4732 1 8 . 1 1 97 97 SER CB C 97 63.258 63.258 62.814 0.444 17482 4733 1 8 . 1 1 97 97 SER H H 97 8.642 8.642 8.795 -0.153 17482 4734 1 8 . 1 1 98 98 GLY N N 98 107.586 107.586 107.284 0.302 17482 4735 1 8 . 1 1 98 98 GLY C C 98 175.553 175.553 175.224 0.329 17482 4736 1 8 . 1 1 98 98 GLY CA C 98 46.556 46.556 46.047 0.509 17482 4737 1 8 . 1 1 98 98 GLY H H 98 7.926 7.926 7.665 0.261 17482 4738 1 8 . 1 1 99 99 ARG N N 99 119.948 119.948 120.446 -0.498 17482 4739 1 8 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.171 0.032 17482 4740 1 8 . 1 1 99 99 ARG C C 99 177.830 177.830 178.560 -0.730 17482 4741 1 8 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.839 -0.710 17482 4742 1 8 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.543 -0.331 17482 4743 1 8 . 1 1 99 99 ARG H H 99 7.611 7.611 7.473 0.138 17482 4744 1 8 . 1 1 100 100 VAL N N 100 116.709 116.709 117.870 -1.161 17482 4745 1 8 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.825 0.115 17482 4746 1 8 . 1 1 100 100 VAL C C 100 176.381 176.381 177.365 -0.984 17482 4747 1 8 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.489 -1.558 17482 4748 1 8 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.830 0.501 17482 4749 1 8 . 1 1 100 100 VAL H H 100 7.906 7.906 8.355 -0.449 17482 4750 1 8 . 1 1 101 101 HIS N N 101 117.584 117.584 119.396 -1.812 17482 4751 1 8 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.645 0.130 17482 4752 1 8 . 1 1 101 101 HIS C C 101 175.484 175.484 174.018 1.466 17482 4753 1 8 . 1 1 101 101 HIS CA C 101 55.862 55.862 55.533 0.329 17482 4754 1 8 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.176 0.341 17482 4755 1 8 . 1 1 101 101 HIS H H 101 8.061 8.061 7.562 0.498 17482 4756 1 8 . 1 1 102 102 GLY N N 102 109.164 109.164 109.505 -0.341 17482 4757 1 8 . 1 1 102 102 GLY C C 102 174.121 174.121 172.775 1.346 17482 4758 1 8 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.262 0.457 17482 4759 1 8 . 1 1 102 102 GLY H H 102 7.990 7.990 8.100 -0.110 17482 4760 1 8 . 1 1 103 103 GLU N N 103 120.493 120.493 118.657 1.836 17482 4761 1 8 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.619 -0.304 17482 4762 1 8 . 1 1 103 103 GLU C C 103 176.467 176.467 175.450 1.017 17482 4763 1 8 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.808 0.643 17482 4764 1 8 . 1 1 103 103 GLU CB C 103 30.731 30.731 31.543 -0.812 17482 4765 1 8 . 1 1 103 103 GLU H H 103 8.320 8.320 8.563 -0.243 17482 4766 1 8 . 1 1 104 104 GLU N N 104 122.018 122.018 119.430 2.588 17482 4767 1 8 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.562 -0.299 17482 4768 1 8 . 1 1 104 104 GLU C C 104 175.820 175.820 175.022 0.798 17482 4769 1 8 . 1 1 104 104 GLU CA C 104 56.480 56.480 55.888 0.592 17482 4770 1 8 . 1 1 104 104 GLU CB C 104 30.654 30.654 30.890 -0.235 17482 4771 1 8 . 1 1 104 104 GLU H H 104 8.358 8.358 8.534 -0.176 17482 4772 1 8 . 1 1 105 105 ASP N N 105 122.625 122.625 120.004 2.621 17482 4773 1 8 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.933 -0.035 17482 4774 1 8 . 1 1 105 105 ASP CA C 105 51.728 51.728 52.621 -0.893 17482 4775 1 8 . 1 1 105 105 ASP CB C 105 41.614 41.614 40.734 0.880 17482 4776 1 8 . 1 1 105 105 ASP H H 105 8.350 8.350 7.910 0.440 17482 4777 1 8 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.576 -0.110 17482 4778 1 8 . 1 1 106 106 PRO C C 106 177.605 177.605 175.762 1.843 17482 4779 1 8 . 1 1 106 106 PRO CA C 106 63.921 63.921 62.839 1.082 17482 4780 1 8 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.373 -0.077 17482 4781 1 8 . 1 1 107 107 THR N N 107 111.954 111.954 112.213 -0.259 17482 4782 1 8 . 1 1 107 107 THR HA H 107 4.281 4.281 4.393 -0.112 17482 4783 1 8 . 1 1 107 107 THR C C 107 174.889 174.889 173.115 1.774 17482 4784 1 8 . 1 1 107 107 THR CA C 107 62.896 62.896 61.350 1.546 17482 4785 1 8 . 1 1 107 107 THR CB C 107 69.593 69.593 70.806 -1.213 17482 4786 1 8 . 1 1 107 107 THR H H 107 8.355 8.355 7.785 0.570 17482 4787 1 8 . 1 1 108 108 LYS N N 108 123.177 123.177 120.729 2.448 17482 4788 1 8 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.101 0.254 17482 4789 1 8 . 1 1 108 108 LYS C C 108 175.406 175.406 175.968 -0.562 17482 4790 1 8 . 1 1 108 108 LYS CA C 108 56.252 56.252 57.244 -0.992 17482 4791 1 8 . 1 1 108 108 LYS CB C 108 32.964 32.964 32.556 0.408 17482 4792 1 8 . 1 1 108 108 LYS H H 108 7.739 7.739 8.783 -1.044 17482 4793 1 9 . 1 1 2 2 SER HA H 2 4.546 4.546 5.039 -0.493 17482 4794 1 9 . 1 1 2 2 SER CA C 2 58.499 58.499 57.106 1.393 17482 4795 1 9 . 1 1 2 2 SER CB C 2 64.011 64.011 64.325 -0.314 17482 4796 1 9 . 1 1 3 3 ASP HA H 3 4.602 4.602 5.061 -0.459 17482 4797 1 9 . 1 1 3 3 ASP C C 3 176.010 176.010 174.929 1.081 17482 4798 1 9 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.981 0.755 17482 4799 1 9 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.488 -0.219 17482 4800 1 9 . 1 1 4 4 ALA N N 4 123.253 123.253 120.338 2.915 17482 4801 1 9 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.410 -0.084 17482 4802 1 9 . 1 1 4 4 ALA C C 4 178.097 178.097 176.024 2.073 17482 4803 1 9 . 1 1 4 4 ALA CA C 4 52.847 52.847 51.762 1.085 17482 4804 1 9 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.814 -1.491 17482 4805 1 9 . 1 1 4 4 ALA H H 4 8.095 8.095 8.079 0.016 17482 4806 1 9 . 1 1 5 5 GLY N N 5 107.651 107.651 106.719 0.932 17482 4807 1 9 . 1 1 5 5 GLY C C 5 174.828 174.828 173.100 1.728 17482 4808 1 9 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.766 0.682 17482 4809 1 9 . 1 1 5 5 GLY H H 5 8.167 8.167 8.947 -0.780 17482 4810 1 9 . 1 1 6 6 ARG N N 6 120.230 120.230 119.335 0.895 17482 4811 1 9 . 1 1 6 6 ARG HA H 6 4.349 4.349 3.999 0.350 17482 4812 1 9 . 1 1 6 6 ARG C C 6 176.562 176.562 175.251 1.311 17482 4813 1 9 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.611 -0.212 17482 4814 1 9 . 1 1 6 6 ARG CB C 6 30.831 30.831 29.993 0.838 17482 4815 1 9 . 1 1 6 6 ARG H H 6 8.060 8.060 8.562 -0.502 17482 4816 1 9 . 1 1 7 7 LYS N N 7 121.076 121.076 115.838 5.238 17482 4817 1 9 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.038 0.219 17482 4818 1 9 . 1 1 7 7 LYS C C 7 177.010 177.010 177.626 -0.616 17482 4819 1 9 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.512 0.408 17482 4820 1 9 . 1 1 7 7 LYS CB C 7 32.831 32.831 32.106 0.725 17482 4821 1 9 . 1 1 7 7 LYS H H 7 8.181 8.181 8.409 -0.228 17482 4822 1 9 . 1 1 8 8 GLY N N 8 108.196 108.196 107.900 0.296 17482 4823 1 9 . 1 1 8 8 GLY C C 8 174.828 174.828 175.594 -0.766 17482 4824 1 9 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.486 -0.657 17482 4825 1 9 . 1 1 8 8 GLY H H 8 8.141 8.141 8.587 -0.446 17482 4826 1 9 . 1 1 9 9 PHE N N 9 120.374 120.374 122.763 -2.389 17482 4827 1 9 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.720 -0.328 17482 4828 1 9 . 1 1 9 9 PHE C C 9 176.898 176.898 176.856 0.042 17482 4829 1 9 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.572 1.408 17482 4830 1 9 . 1 1 9 9 PHE CB C 9 39.553 39.553 38.890 0.663 17482 4831 1 9 . 1 1 9 9 PHE H H 9 8.072 8.072 8.353 -0.281 17482 4832 1 9 . 1 1 10 10 GLY N N 10 107.944 107.944 108.256 -0.312 17482 4833 1 9 . 1 1 10 10 GLY C C 10 175.441 175.441 176.256 -0.815 17482 4834 1 9 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.268 -0.446 17482 4835 1 9 . 1 1 10 10 GLY H H 10 8.431 8.431 8.624 -0.193 17482 4836 1 9 . 1 1 11 11 GLU N N 11 121.098 121.098 121.852 -0.754 17482 4837 1 9 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.036 0.064 17482 4838 1 9 . 1 1 11 11 GLU C C 11 175.234 175.234 179.391 -4.157 17482 4839 1 9 . 1 1 11 11 GLU CA C 11 58.971 58.971 60.093 -1.122 17482 4840 1 9 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.530 0.368 17482 4841 1 9 . 1 1 11 11 GLU H H 11 8.003 8.003 8.633 -0.630 17482 4842 1 9 . 1 1 12 12 LYS N N 12 119.103 119.103 118.143 0.960 17482 4843 1 9 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.007 0.137 17482 4844 1 9 . 1 1 12 12 LYS C C 12 178.520 178.520 178.931 -0.411 17482 4845 1 9 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.273 0.064 17482 4846 1 9 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.641 0.753 17482 4847 1 9 . 1 1 12 12 LYS H H 12 7.930 7.930 7.603 0.327 17482 4848 1 9 . 1 1 13 13 ALA N N 13 121.534 121.534 122.645 -1.111 17482 4849 1 9 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.887 0.124 17482 4850 1 9 . 1 1 13 13 ALA C C 13 178.364 178.364 179.878 -1.514 17482 4851 1 9 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.158 -0.430 17482 4852 1 9 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.846 0.614 17482 4853 1 9 . 1 1 13 13 ALA H H 13 8.216 8.216 8.353 -0.137 17482 4854 1 9 . 1 1 14 14 SER N N 14 111.263 111.263 113.551 -2.288 17482 4855 1 9 . 1 1 14 14 SER HA H 14 4.114 4.114 4.110 0.004 17482 4856 1 9 . 1 1 14 14 SER C C 14 176.148 176.148 177.104 -0.956 17482 4857 1 9 . 1 1 14 14 SER CA C 14 61.159 61.159 62.172 -1.013 17482 4858 1 9 . 1 1 14 14 SER CB C 14 63.250 63.250 63.008 0.242 17482 4859 1 9 . 1 1 14 14 SER H H 14 8.000 8.000 8.013 -0.013 17482 4860 1 9 . 1 1 15 15 GLU N N 15 119.902 119.902 120.767 -0.865 17482 4861 1 9 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.072 0.094 17482 4862 1 9 . 1 1 15 15 GLU C C 15 177.493 177.493 178.154 -0.661 17482 4863 1 9 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.996 -0.983 17482 4864 1 9 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.563 0.378 17482 4865 1 9 . 1 1 15 15 GLU H H 15 7.724 7.724 7.631 0.093 17482 4866 1 9 . 1 1 16 16 ALA N N 16 120.687 120.687 122.126 -1.439 17482 4867 1 9 . 1 1 16 16 ALA HA H 16 4.261 4.261 3.996 0.265 17482 4868 1 9 . 1 1 16 16 ALA C C 16 177.933 177.933 179.255 -1.322 17482 4869 1 9 . 1 1 16 16 ALA CA C 16 53.775 53.775 55.055 -1.280 17482 4870 1 9 . 1 1 16 16 ALA CB C 16 19.544 19.544 18.883 0.661 17482 4871 1 9 . 1 1 16 16 ALA H H 16 7.726 7.726 7.882 -0.156 17482 4872 1 9 . 1 1 17 17 LEU N N 17 116.559 116.559 116.251 0.308 17482 4873 1 9 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.116 0.243 17482 4874 1 9 . 1 1 17 17 LEU C C 17 176.277 176.277 178.104 -1.827 17482 4875 1 9 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.816 -1.882 17482 4876 1 9 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.657 0.907 17482 4877 1 9 . 1 1 17 17 LEU H H 17 7.634 7.634 7.533 0.101 17482 4878 1 9 . 1 1 18 18 LYS N N 18 120.269 120.269 120.298 -0.029 17482 4879 1 9 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.207 0.360 17482 4880 1 9 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.906 -1.417 17482 4881 1 9 . 1 1 18 18 LYS CB C 18 32.520 32.520 31.224 1.296 17482 4882 1 9 . 1 1 18 18 LYS H H 18 7.761 7.761 7.572 0.189 17482 4883 1 9 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.370 0.073 17482 4884 1 9 . 1 1 19 19 PRO C C 19 176.984 176.984 176.338 0.646 17482 4885 1 9 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.412 1.421 17482 4886 1 9 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.421 -0.174 17482 4887 1 9 . 1 1 20 20 ASP N N 20 119.103 119.103 118.557 0.546 17482 4888 1 9 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.428 0.174 17482 4889 1 9 . 1 1 20 20 ASP C C 20 176.639 176.639 176.164 0.475 17482 4890 1 9 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.313 0.184 17482 4891 1 9 . 1 1 20 20 ASP CB C 20 41.231 41.231 40.872 0.359 17482 4892 1 9 . 1 1 20 20 ASP H H 20 8.383 8.383 8.305 0.078 17482 4893 1 9 . 1 1 21 21 SER N N 21 115.970 115.970 114.432 1.538 17482 4894 1 9 . 1 1 21 21 SER HA H 21 4.376 4.376 4.317 0.059 17482 4895 1 9 . 1 1 21 21 SER C C 21 174.889 174.889 174.627 0.262 17482 4896 1 9 . 1 1 21 21 SER CA C 21 59.093 59.093 58.365 0.728 17482 4897 1 9 . 1 1 21 21 SER CB C 21 63.860 63.860 63.708 0.152 17482 4898 1 9 . 1 1 21 21 SER H H 21 8.054 8.054 8.132 -0.078 17482 4899 1 9 . 1 1 22 22 GLN N N 22 120.766 120.766 120.910 -0.144 17482 4900 1 9 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.125 0.153 17482 4901 1 9 . 1 1 22 22 GLN C C 22 175.984 175.984 175.136 0.848 17482 4902 1 9 . 1 1 22 22 GLN CA C 22 56.739 56.739 56.715 0.024 17482 4903 1 9 . 1 1 22 22 GLN CB C 22 29.191 29.191 28.864 0.327 17482 4904 1 9 . 1 1 22 22 GLN H H 22 8.452 8.452 8.414 0.038 17482 4905 1 9 . 1 1 23 23 LYS N N 23 120.410 120.410 122.877 -2.467 17482 4906 1 9 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.756 -0.419 17482 4907 1 9 . 1 1 23 23 LYS C C 23 176.191 176.191 175.573 0.618 17482 4908 1 9 . 1 1 23 23 LYS CA C 23 56.208 56.208 55.315 0.893 17482 4909 1 9 . 1 1 23 23 LYS CB C 23 33.736 33.736 33.844 -0.108 17482 4910 1 9 . 1 1 23 23 LYS H H 23 7.935 7.935 8.078 -0.143 17482 4911 1 9 . 1 1 24 24 SER N N 24 117.302 117.302 114.210 3.092 17482 4912 1 9 . 1 1 24 24 SER HA H 24 4.492 4.492 4.775 -0.283 17482 4913 1 9 . 1 1 24 24 SER C C 24 175.717 175.717 174.357 1.360 17482 4914 1 9 . 1 1 24 24 SER CA C 24 58.145 58.145 57.364 0.782 17482 4915 1 9 . 1 1 24 24 SER CB C 24 63.815 63.815 64.360 -0.545 17482 4916 1 9 . 1 1 24 24 SER H H 24 8.365 8.365 7.997 0.368 17482 4917 1 9 . 1 1 25 25 TYR N N 25 121.904 121.904 124.058 -2.154 17482 4918 1 9 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.353 0.029 17482 4919 1 9 . 1 1 25 25 TYR C C 25 177.752 177.752 177.565 0.187 17482 4920 1 9 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.634 -0.689 17482 4921 1 9 . 1 1 25 25 TYR CB C 25 37.821 37.821 38.010 -0.189 17482 4922 1 9 . 1 1 25 25 TYR H H 25 8.205 8.205 8.785 -0.580 17482 4923 1 9 . 1 1 26 26 ALA N N 26 121.123 121.123 120.441 0.682 17482 4924 1 9 . 1 1 26 26 ALA HA H 26 4.057 4.057 4.009 0.048 17482 4925 1 9 . 1 1 26 26 ALA C C 26 179.037 179.037 180.161 -1.124 17482 4926 1 9 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.175 0.361 17482 4927 1 9 . 1 1 26 26 ALA CB C 26 18.474 18.474 17.764 0.710 17482 4928 1 9 . 1 1 26 26 ALA H H 26 8.233 8.233 8.512 -0.279 17482 4929 1 9 . 1 1 27 27 GLU N N 27 117.313 117.313 118.073 -0.760 17482 4930 1 9 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.099 -0.082 17482 4931 1 9 . 1 1 27 27 GLU C C 27 179.166 179.166 179.055 0.111 17482 4932 1 9 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.365 0.113 17482 4933 1 9 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.737 0.129 17482 4934 1 9 . 1 1 27 27 GLU H H 27 7.922 7.922 7.903 0.019 17482 4935 1 9 . 1 1 28 28 GLN N N 28 118.602 118.602 119.805 -1.203 17482 4936 1 9 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.962 0.226 17482 4937 1 9 . 1 1 28 28 GLN C C 28 179.132 179.132 178.899 0.233 17482 4938 1 9 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.741 0.104 17482 4939 1 9 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.482 0.900 17482 4940 1 9 . 1 1 28 28 GLN H H 28 8.179 8.179 7.847 0.332 17482 4941 1 9 . 1 1 29 29 GLY N N 29 107.984 107.984 106.838 1.146 17482 4942 1 9 . 1 1 29 29 GLY C C 29 174.518 174.518 175.659 -1.141 17482 4943 1 9 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.636 0.950 17482 4944 1 9 . 1 1 29 29 GLY H H 29 8.804 8.804 8.369 0.435 17482 4945 1 9 . 1 1 30 30 LYS N N 30 121.339 121.339 122.325 -0.986 17482 4946 1 9 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.847 0.114 17482 4947 1 9 . 1 1 30 30 LYS C C 30 178.925 178.925 179.065 -0.140 17482 4948 1 9 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.168 0.232 17482 4949 1 9 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.285 0.142 17482 4950 1 9 . 1 1 30 30 LYS H H 30 8.406 8.406 7.473 0.933 17482 4951 1 9 . 1 1 31 31 GLU N N 31 119.880 119.880 118.902 0.978 17482 4952 1 9 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.094 -0.054 17482 4953 1 9 . 1 1 31 31 GLU C C 31 177.761 177.761 179.232 -1.471 17482 4954 1 9 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.904 0.627 17482 4955 1 9 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.486 0.045 17482 4956 1 9 . 1 1 31 31 GLU H H 31 8.090 8.090 8.138 -0.048 17482 4957 1 9 . 1 1 32 32 TYR N N 32 119.786 119.786 121.186 -1.400 17482 4958 1 9 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.141 0.130 17482 4959 1 9 . 1 1 32 32 TYR C C 32 178.054 178.054 177.579 0.475 17482 4960 1 9 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.783 -0.063 17482 4961 1 9 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.613 0.318 17482 4962 1 9 . 1 1 32 32 TYR H H 32 8.052 8.052 7.751 0.301 17482 4963 1 9 . 1 1 33 33 ILE N N 33 116.856 116.856 118.027 -1.171 17482 4964 1 9 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.613 0.179 17482 4965 1 9 . 1 1 33 33 ILE C C 33 177.519 177.519 177.882 -0.363 17482 4966 1 9 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.097 -1.078 17482 4967 1 9 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.693 0.418 17482 4968 1 9 . 1 1 33 33 ILE H H 33 8.249 8.249 8.233 0.016 17482 4969 1 9 . 1 1 34 34 THR N N 34 114.203 114.203 113.730 0.473 17482 4970 1 9 . 1 1 34 34 THR HA H 34 3.934 3.934 3.756 0.178 17482 4971 1 9 . 1 1 34 34 THR C C 34 176.579 176.579 176.665 -0.086 17482 4972 1 9 . 1 1 34 34 THR CA C 34 66.459 66.459 66.591 -0.132 17482 4973 1 9 . 1 1 34 34 THR CB C 34 68.845 68.845 68.404 0.441 17482 4974 1 9 . 1 1 34 34 THR H H 34 8.254 8.254 8.166 0.088 17482 4975 1 9 . 1 1 35 35 ASP N N 35 121.116 121.116 120.640 0.476 17482 4976 1 9 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.347 0.149 17482 4977 1 9 . 1 1 35 35 ASP C C 35 177.933 177.933 178.451 -0.518 17482 4978 1 9 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.343 -0.281 17482 4979 1 9 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.778 1.050 17482 4980 1 9 . 1 1 35 35 ASP H H 35 7.880 7.880 7.971 -0.091 17482 4981 1 9 . 1 1 36 36 LYS N N 36 116.457 116.457 118.841 -2.384 17482 4982 1 9 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.044 0.113 17482 4983 1 9 . 1 1 36 36 LYS C C 36 177.968 177.968 178.658 -0.690 17482 4984 1 9 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.688 -1.817 17482 4985 1 9 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.279 -0.366 17482 4986 1 9 . 1 1 36 36 LYS H H 36 7.677 7.677 7.475 0.202 17482 4987 1 9 . 1 1 37 37 ALA N N 37 121.588 121.588 121.646 -0.058 17482 4988 1 9 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.113 -0.108 17482 4989 1 9 . 1 1 37 37 ALA C C 37 178.795 178.795 179.896 -1.101 17482 4990 1 9 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.910 0.421 17482 4991 1 9 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.143 0.331 17482 4992 1 9 . 1 1 37 37 ALA H H 37 8.296 8.296 8.241 0.055 17482 4993 1 9 . 1 1 38 38 ASP N N 38 116.490 116.490 118.975 -2.485 17482 4994 1 9 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.493 -0.084 17482 4995 1 9 . 1 1 38 38 ASP C C 38 178.347 178.347 178.466 -0.119 17482 4996 1 9 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.249 -0.520 17482 4997 1 9 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.082 -0.034 17482 4998 1 9 . 1 1 38 38 ASP H H 38 8.046 8.046 8.037 0.009 17482 4999 1 9 . 1 1 39 39 LYS N N 39 118.627 118.627 120.884 -2.257 17482 5000 1 9 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.087 0.061 17482 5001 1 9 . 1 1 39 39 LYS C C 39 178.588 178.588 178.940 -0.352 17482 5002 1 9 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.566 -1.341 17482 5003 1 9 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.639 0.018 17482 5004 1 9 . 1 1 39 39 LYS H H 39 7.757 7.757 7.790 -0.033 17482 5005 1 9 . 1 1 40 40 VAL N N 40 116.146 116.146 118.727 -2.581 17482 5006 1 9 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.746 0.163 17482 5007 1 9 . 1 1 40 40 VAL C C 40 176.683 176.683 176.904 -0.221 17482 5008 1 9 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.601 -1.193 17482 5009 1 9 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.711 0.623 17482 5010 1 9 . 1 1 40 40 VAL H H 40 7.792 7.792 7.997 -0.205 17482 5011 1 9 . 1 1 41 41 ALA N N 41 122.561 122.561 120.794 1.767 17482 5012 1 9 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.238 -0.115 17482 5013 1 9 . 1 1 41 41 ALA C C 41 179.106 179.106 180.159 -1.053 17482 5014 1 9 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.488 0.041 17482 5015 1 9 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.670 -0.069 17482 5016 1 9 . 1 1 41 41 ALA H H 41 8.094 8.094 7.470 0.624 17482 5017 1 9 . 1 1 42 42 GLY N N 42 105.072 105.072 106.851 -1.779 17482 5018 1 9 . 1 1 42 42 GLY C C 42 174.941 174.941 175.924 -0.983 17482 5019 1 9 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.503 -0.476 17482 5020 1 9 . 1 1 42 42 GLY H H 42 8.044 8.044 8.274 -0.230 17482 5021 1 9 . 1 1 43 43 LYS N N 43 119.123 119.123 118.690 0.433 17482 5022 1 9 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.131 0.210 17482 5023 1 9 . 1 1 43 43 LYS C C 43 176.631 176.631 177.010 -0.379 17482 5024 1 9 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.361 0.436 17482 5025 1 9 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.321 1.075 17482 5026 1 9 . 1 1 43 43 LYS H H 43 7.834 7.834 8.041 -0.207 17482 5027 1 9 . 1 1 44 44 VAL N N 44 116.413 116.413 121.239 -4.826 17482 5028 1 9 . 1 1 44 44 VAL HA H 44 4.146 4.146 3.864 0.282 17482 5029 1 9 . 1 1 44 44 VAL C C 44 175.018 175.018 175.748 -0.730 17482 5030 1 9 . 1 1 44 44 VAL CA C 44 62.331 62.331 63.790 -1.459 17482 5031 1 9 . 1 1 44 44 VAL CB C 44 32.641 32.641 31.960 0.681 17482 5032 1 9 . 1 1 44 44 VAL H H 44 7.650 7.650 7.260 0.390 17482 5033 1 9 . 1 1 45 45 GLN N N 45 122.078 122.078 126.785 -4.707 17482 5034 1 9 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.725 -0.066 17482 5035 1 9 . 1 1 45 45 GLN CA C 45 53.664 53.664 53.316 0.348 17482 5036 1 9 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.346 0.983 17482 5037 1 9 . 1 1 45 45 GLN H H 45 8.154 8.154 8.369 -0.215 17482 5038 1 9 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.384 0.049 17482 5039 1 9 . 1 1 46 46 PRO C C 46 177.329 177.329 176.440 0.889 17482 5040 1 9 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.768 0.986 17482 5041 1 9 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.188 0.043 17482 5042 1 9 . 1 1 47 47 GLU N N 47 119.456 119.456 117.210 2.246 17482 5043 1 9 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.178 0.033 17482 5044 1 9 . 1 1 47 47 GLU C C 47 176.484 176.484 175.553 0.931 17482 5045 1 9 . 1 1 47 47 GLU CA C 47 57.468 57.468 56.486 0.982 17482 5046 1 9 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.892 0.437 17482 5047 1 9 . 1 1 47 47 GLU H H 47 8.491 8.491 8.353 0.138 17482 5048 1 9 . 1 1 48 48 ASP N N 48 119.108 119.108 122.648 -3.540 17482 5049 1 9 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.533 0.052 17482 5050 1 9 . 1 1 48 48 ASP C C 48 175.863 175.863 176.789 -0.926 17482 5051 1 9 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.813 0.766 17482 5052 1 9 . 1 1 48 48 ASP CB C 48 41.131 41.131 41.329 -0.198 17482 5053 1 9 . 1 1 48 48 ASP H H 48 8.137 8.137 8.397 -0.260 17482 5054 1 9 . 1 1 49 49 ASN N N 49 117.714 117.714 119.660 -1.946 17482 5055 1 9 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.529 0.136 17482 5056 1 9 . 1 1 49 49 ASN C C 49 174.975 174.975 174.784 0.191 17482 5057 1 9 . 1 1 49 49 ASN CA C 49 53.728 53.728 54.364 -0.636 17482 5058 1 9 . 1 1 49 49 ASN CB C 49 39.131 39.131 37.414 1.717 17482 5059 1 9 . 1 1 49 49 ASN H H 49 8.173 8.173 8.598 -0.425 17482 5060 1 9 . 1 1 50 50 LYS N N 50 120.215 120.215 121.746 -1.531 17482 5061 1 9 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.465 -0.157 17482 5062 1 9 . 1 1 50 50 LYS C C 50 176.950 176.950 175.819 1.131 17482 5063 1 9 . 1 1 50 50 LYS CA C 50 56.828 56.828 57.128 -0.300 17482 5064 1 9 . 1 1 50 50 LYS CB C 50 33.031 33.031 33.040 -0.009 17482 5065 1 9 . 1 1 50 50 LYS H H 50 8.098 8.098 8.361 -0.263 17482 5066 1 9 . 1 1 51 51 GLY N N 51 109.286 109.286 107.925 1.361 17482 5067 1 9 . 1 1 51 51 GLY C C 51 175.251 175.251 175.276 -0.025 17482 5068 1 9 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.626 0.287 17482 5069 1 9 . 1 1 51 51 GLY H H 51 8.295 8.295 8.301 -0.006 17482 5070 1 9 . 1 1 52 52 VAL N N 52 119.528 119.528 121.785 -2.257 17482 5071 1 9 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.866 -0.002 17482 5072 1 9 . 1 1 52 52 VAL C C 52 176.372 176.372 177.400 -1.028 17482 5073 1 9 . 1 1 52 52 VAL CA C 52 64.346 64.346 63.699 0.647 17482 5074 1 9 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.657 0.573 17482 5075 1 9 . 1 1 52 52 VAL H H 52 7.940 7.940 8.326 -0.386 17482 5076 1 9 . 1 1 53 53 PHE N N 53 118.265 118.265 120.105 -1.840 17482 5077 1 9 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.215 0.378 17482 5078 1 9 . 1 1 53 53 PHE C C 53 176.441 176.441 178.554 -2.113 17482 5079 1 9 . 1 1 53 53 PHE CA C 53 58.676 58.676 61.734 -3.058 17482 5080 1 9 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.505 0.130 17482 5081 1 9 . 1 1 53 53 PHE H H 53 8.046 8.046 8.260 -0.214 17482 5082 1 9 . 1 1 54 54 GLN N N 54 119.441 119.441 118.972 0.469 17482 5083 1 9 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.091 0.080 17482 5084 1 9 . 1 1 54 54 GLN C C 54 177.166 177.166 178.894 -1.728 17482 5085 1 9 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.143 -1.594 17482 5086 1 9 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.253 1.246 17482 5087 1 9 . 1 1 54 54 GLN H H 54 7.978 7.978 8.378 -0.400 17482 5088 1 9 . 1 1 55 55 GLY N N 55 107.822 107.822 107.503 0.319 17482 5089 1 9 . 1 1 55 55 GLY C C 55 175.294 175.294 176.425 -1.131 17482 5090 1 9 . 1 1 55 55 GLY CA C 55 46.188 46.188 47.081 -0.893 17482 5091 1 9 . 1 1 55 55 GLY H H 55 8.120 8.120 7.833 0.287 17482 5092 1 9 . 1 1 56 56 VAL N N 56 119.174 119.174 121.927 -2.753 17482 5093 1 9 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.657 0.315 17482 5094 1 9 . 1 1 56 56 VAL C C 56 176.527 176.527 177.702 -1.175 17482 5095 1 9 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.481 -1.477 17482 5096 1 9 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.212 0.980 17482 5097 1 9 . 1 1 56 56 VAL H H 56 7.774 7.774 7.577 0.197 17482 5098 1 9 . 1 1 57 57 HIS N N 57 119.221 119.221 119.108 0.113 17482 5099 1 9 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.406 0.136 17482 5100 1 9 . 1 1 57 57 HIS CA C 57 56.973 56.973 58.753 -1.780 17482 5101 1 9 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.179 -0.571 17482 5102 1 9 . 1 1 57 57 HIS H H 57 8.201 8.201 8.367 -0.166 17482 5103 1 9 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.297 0.283 17482 5104 1 9 . 1 1 58 58 ASP C C 58 177.097 177.097 178.254 -1.157 17482 5105 1 9 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.763 -1.742 17482 5106 1 9 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.157 1.079 17482 5107 1 9 . 1 1 59 59 SER N N 59 116.347 116.347 115.552 0.795 17482 5108 1 9 . 1 1 59 59 SER HA H 59 4.372 4.372 4.136 0.236 17482 5109 1 9 . 1 1 59 59 SER C C 59 175.087 175.087 176.405 -1.318 17482 5110 1 9 . 1 1 59 59 SER CA C 59 59.207 59.207 60.892 -1.685 17482 5111 1 9 . 1 1 59 59 SER CB C 59 63.780 63.780 62.795 0.985 17482 5112 1 9 . 1 1 59 59 SER H H 59 8.134 8.134 7.575 0.559 17482 5113 1 9 . 1 1 60 60 ALA N N 60 125.097 125.097 124.147 0.950 17482 5114 1 9 . 1 1 60 60 ALA HA H 60 4.253 4.253 3.966 0.287 17482 5115 1 9 . 1 1 60 60 ALA C C 60 178.192 178.192 178.380 -0.188 17482 5116 1 9 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.371 -0.810 17482 5117 1 9 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.004 1.074 17482 5118 1 9 . 1 1 60 60 ALA H H 60 8.203 8.203 7.702 0.501 17482 5119 1 9 . 1 1 61 61 GLU N N 61 118.432 118.432 118.046 0.386 17482 5120 1 9 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.014 0.186 17482 5121 1 9 . 1 1 61 61 GLU C C 61 177.036 177.036 177.286 -0.250 17482 5122 1 9 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.874 -0.651 17482 5123 1 9 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.867 0.361 17482 5124 1 9 . 1 1 61 61 GLU H H 61 8.095 8.095 7.797 0.298 17482 5125 1 9 . 1 1 62 62 LYS N N 62 120.770 120.770 119.695 1.075 17482 5126 1 9 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.094 0.203 17482 5127 1 9 . 1 1 62 62 LYS C C 62 177.450 177.450 176.067 1.383 17482 5128 1 9 . 1 1 62 62 LYS CA C 62 56.826 56.826 57.336 -0.510 17482 5129 1 9 . 1 1 62 62 LYS CB C 62 32.943 32.943 32.682 0.261 17482 5130 1 9 . 1 1 62 62 LYS H H 62 7.969 7.969 7.597 0.372 17482 5131 1 9 . 1 1 63 63 GLY N N 63 108.912 108.912 111.222 -2.310 17482 5132 1 9 . 1 1 63 63 GLY C C 63 174.432 174.432 173.256 1.176 17482 5133 1 9 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.459 1.292 17482 5134 1 9 . 1 1 63 63 GLY H H 63 8.287 8.287 8.061 0.226 17482 5135 1 9 . 1 1 64 64 LYS N N 64 120.529 120.529 121.469 -0.940 17482 5136 1 9 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.999 -0.701 17482 5137 1 9 . 1 1 64 64 LYS C C 64 176.622 176.622 175.436 1.186 17482 5138 1 9 . 1 1 64 64 LYS CA C 64 56.731 56.731 55.562 1.169 17482 5139 1 9 . 1 1 64 64 LYS CB C 64 33.117 33.117 35.313 -2.196 17482 5140 1 9 . 1 1 64 64 LYS H H 64 8.019 8.019 8.553 -0.534 17482 5141 1 9 . 1 1 65 65 ASP N N 65 120.673 120.673 119.690 0.983 17482 5142 1 9 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.939 -0.359 17482 5143 1 9 . 1 1 65 65 ASP C C 65 176.226 176.226 174.781 1.445 17482 5144 1 9 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.442 1.341 17482 5145 1 9 . 1 1 65 65 ASP CB C 65 41.172 41.172 43.149 -1.977 17482 5146 1 9 . 1 1 65 65 ASP H H 65 8.296 8.296 8.580 -0.284 17482 5147 1 9 . 1 1 66 66 ASN N N 66 118.902 118.902 116.904 1.998 17482 5148 1 9 . 1 1 66 66 ASN HA H 66 4.690 4.690 5.344 -0.654 17482 5149 1 9 . 1 1 66 66 ASN C C 66 175.217 175.217 173.513 1.704 17482 5150 1 9 . 1 1 66 66 ASN CA C 66 53.475 53.475 52.897 0.578 17482 5151 1 9 . 1 1 66 66 ASN CB C 66 39.117 39.117 40.896 -1.779 17482 5152 1 9 . 1 1 66 66 ASN H H 66 8.212 8.212 8.736 -0.524 17482 5153 1 9 . 1 1 67 67 ALA N N 67 124.149 124.149 121.972 2.177 17482 5154 1 9 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.995 -0.695 17482 5155 1 9 . 1 1 67 67 ALA C C 67 177.890 177.890 176.605 1.285 17482 5156 1 9 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.178 0.875 17482 5157 1 9 . 1 1 67 67 ALA CB C 67 19.427 19.427 20.855 -1.429 17482 5158 1 9 . 1 1 67 67 ALA H H 67 8.212 8.212 8.627 -0.415 17482 5159 1 9 . 1 1 68 68 GLU N N 68 119.216 119.216 119.798 -0.582 17482 5160 1 9 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.406 -0.135 17482 5161 1 9 . 1 1 68 68 GLU C C 68 177.243 177.243 177.092 0.151 17482 5162 1 9 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.197 0.600 17482 5163 1 9 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.229 -0.070 17482 5164 1 9 . 1 1 68 68 GLU H H 68 8.286 8.286 9.008 -0.722 17482 5165 1 9 . 1 1 69 69 GLY N N 69 109.637 109.637 108.649 0.988 17482 5166 1 9 . 1 1 69 69 GLY C C 69 174.371 174.371 174.028 0.343 17482 5167 1 9 . 1 1 69 69 GLY CA C 69 45.634 45.634 44.591 1.043 17482 5168 1 9 . 1 1 69 69 GLY H H 69 8.293 8.293 7.954 0.339 17482 5169 1 9 . 1 1 70 70 GLN N N 70 119.629 119.629 119.904 -0.275 17482 5170 1 9 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.307 0.086 17482 5171 1 9 . 1 1 70 70 GLN C C 70 176.502 176.502 176.549 -0.047 17482 5172 1 9 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.323 0.723 17482 5173 1 9 . 1 1 70 70 GLN CB C 70 29.627 29.627 30.108 -0.481 17482 5174 1 9 . 1 1 70 70 GLN H H 70 8.201 8.201 8.589 -0.388 17482 5175 1 9 . 1 1 71 71 GLY N N 71 109.977 109.977 109.429 0.548 17482 5176 1 9 . 1 1 71 71 GLY C C 71 173.992 173.992 173.787 0.205 17482 5177 1 9 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.538 1.096 17482 5178 1 9 . 1 1 71 71 GLY H H 71 8.424 8.424 7.878 0.546 17482 5179 1 9 . 1 1 72 72 GLU N N 72 120.532 120.532 119.768 0.764 17482 5180 1 9 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.213 0.198 17482 5181 1 9 . 1 1 72 72 GLU C C 72 176.639 176.639 175.386 1.253 17482 5182 1 9 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.516 0.102 17482 5183 1 9 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.341 0.390 17482 5184 1 9 . 1 1 72 72 GLU H H 72 8.244 8.244 8.539 -0.295 17482 5185 1 9 . 1 1 73 73 SER N N 73 117.827 117.827 115.043 2.784 17482 5186 1 9 . 1 1 73 73 SER HA H 73 4.589 4.589 4.674 -0.085 17482 5187 1 9 . 1 1 73 73 SER C C 73 175.475 175.475 174.403 1.072 17482 5188 1 9 . 1 1 73 73 SER CA C 73 58.064 58.064 57.244 0.820 17482 5189 1 9 . 1 1 73 73 SER CB C 73 64.761 64.761 64.316 0.446 17482 5190 1 9 . 1 1 73 73 SER H H 73 8.689 8.689 8.593 0.096 17482 5191 1 9 . 1 1 74 74 LEU N N 74 124.414 124.414 127.798 -3.384 17482 5192 1 9 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.000 0.201 17482 5193 1 9 . 1 1 74 74 LEU C C 74 178.735 178.735 177.882 0.853 17482 5194 1 9 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.590 0.305 17482 5195 1 9 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.897 0.037 17482 5196 1 9 . 1 1 74 74 LEU H H 74 8.514 8.514 8.750 -0.236 17482 5197 1 9 . 1 1 75 75 ALA N N 75 120.291 120.291 120.260 0.031 17482 5198 1 9 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.984 0.006 17482 5199 1 9 . 1 1 75 75 ALA C C 75 179.046 179.046 180.104 -1.058 17482 5200 1 9 . 1 1 75 75 ALA CA C 75 55.267 55.267 55.201 0.066 17482 5201 1 9 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.720 0.874 17482 5202 1 9 . 1 1 75 75 ALA H H 75 8.160 8.160 8.289 -0.129 17482 5203 1 9 . 1 1 76 76 ASP N N 76 117.288 117.288 117.957 -0.669 17482 5204 1 9 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.466 -0.060 17482 5205 1 9 . 1 1 76 76 ASP C C 76 178.476 178.476 178.402 0.074 17482 5206 1 9 . 1 1 76 76 ASP CA C 76 57.133 57.133 57.067 0.066 17482 5207 1 9 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.133 -0.481 17482 5208 1 9 . 1 1 76 76 ASP H H 76 7.773 7.773 7.952 -0.178 17482 5209 1 9 . 1 1 77 77 GLN N N 77 119.454 119.454 119.782 -0.328 17482 5210 1 9 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.216 -0.054 17482 5211 1 9 . 1 1 77 77 GLN C C 77 178.037 178.037 178.062 -0.025 17482 5212 1 9 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.175 0.206 17482 5213 1 9 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.340 1.140 17482 5214 1 9 . 1 1 77 77 GLN H H 77 7.994 7.994 7.481 0.513 17482 5215 1 9 . 1 1 78 78 ALA N N 78 121.577 121.577 122.758 -1.181 17482 5216 1 9 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.214 -0.065 17482 5217 1 9 . 1 1 78 78 ALA C C 78 178.977 178.977 179.672 -0.695 17482 5218 1 9 . 1 1 78 78 ALA CA C 78 55.131 55.131 54.794 0.337 17482 5219 1 9 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.427 0.228 17482 5220 1 9 . 1 1 78 78 ALA H H 78 8.498 8.498 8.569 -0.071 17482 5221 1 9 . 1 1 79 79 ARG N N 79 117.138 117.138 119.584 -2.446 17482 5222 1 9 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.116 -0.104 17482 5223 1 9 . 1 1 79 79 ARG C C 79 175.449 175.449 177.887 -2.438 17482 5224 1 9 . 1 1 79 79 ARG CA C 79 59.503 59.503 58.500 1.003 17482 5225 1 9 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.761 0.385 17482 5226 1 9 . 1 1 79 79 ARG H H 79 8.101 8.101 7.816 0.285 17482 5227 1 9 . 1 1 80 80 ASP N N 80 120.784 120.784 119.231 1.553 17482 5228 1 9 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.381 0.132 17482 5229 1 9 . 1 1 80 80 ASP C C 80 178.882 178.882 178.819 0.063 17482 5230 1 9 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.809 -0.933 17482 5231 1 9 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.002 -0.674 17482 5232 1 9 . 1 1 80 80 ASP H H 80 8.000 8.000 7.896 0.104 17482 5233 1 9 . 1 1 81 81 TYR N N 81 120.298 120.298 120.271 0.027 17482 5234 1 9 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.348 0.083 17482 5235 1 9 . 1 1 81 81 TYR C C 81 177.855 177.855 177.682 0.173 17482 5236 1 9 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.516 0.318 17482 5237 1 9 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.800 -0.322 17482 5238 1 9 . 1 1 81 81 TYR H H 81 8.127 8.127 7.714 0.413 17482 5239 1 9 . 1 1 82 82 MET N N 82 118.452 118.452 118.419 0.033 17482 5240 1 9 . 1 1 82 82 MET HA H 82 4.239 4.239 4.014 0.225 17482 5241 1 9 . 1 1 82 82 MET C C 82 178.175 178.175 178.636 -0.461 17482 5242 1 9 . 1 1 82 82 MET CA C 82 58.757 58.757 58.665 0.092 17482 5243 1 9 . 1 1 82 82 MET CB C 82 32.631 32.631 32.392 0.239 17482 5244 1 9 . 1 1 82 82 MET H H 82 8.382 8.382 8.086 0.296 17482 5245 1 9 . 1 1 83 83 GLY N N 83 106.740 106.740 105.473 1.267 17482 5246 1 9 . 1 1 83 83 GLY C C 83 176.717 176.717 175.135 1.582 17482 5247 1 9 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.294 0.037 17482 5248 1 9 . 1 1 83 83 GLY H H 83 8.308 8.308 8.666 -0.358 17482 5249 1 9 . 1 1 84 84 ALA N N 84 125.357 125.357 122.967 2.390 17482 5250 1 9 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.278 0.009 17482 5251 1 9 . 1 1 84 84 ALA C C 84 180.149 180.149 179.084 1.065 17482 5252 1 9 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.095 0.553 17482 5253 1 9 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.359 0.182 17482 5254 1 9 . 1 1 84 84 ALA H H 84 7.905 7.905 7.577 0.328 17482 5255 1 9 . 1 1 85 85 ALA N N 85 121.332 121.332 121.443 -0.111 17482 5256 1 9 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.988 0.037 17482 5257 1 9 . 1 1 85 85 ALA C C 85 178.847 178.847 179.574 -0.727 17482 5258 1 9 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.725 0.558 17482 5259 1 9 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.308 0.179 17482 5260 1 9 . 1 1 85 85 ALA H H 85 8.341 8.341 7.759 0.582 17482 5261 1 9 . 1 1 86 86 LYS N N 86 116.980 116.980 119.976 -2.996 17482 5262 1 9 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.908 -0.036 17482 5263 1 9 . 1 1 86 86 LYS C C 86 178.485 178.485 178.829 -0.344 17482 5264 1 9 . 1 1 86 86 LYS CA C 86 60.193 60.193 60.156 0.037 17482 5265 1 9 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.200 0.132 17482 5266 1 9 . 1 1 86 86 LYS H H 86 8.360 8.360 7.804 0.556 17482 5267 1 9 . 1 1 87 87 SER N N 87 113.632 113.632 114.172 -0.540 17482 5268 1 9 . 1 1 87 87 SER HA H 87 4.299 4.299 4.062 0.237 17482 5269 1 9 . 1 1 87 87 SER C C 87 176.467 176.467 176.477 -0.010 17482 5270 1 9 . 1 1 87 87 SER CA C 87 61.614 61.614 61.675 -0.061 17482 5271 1 9 . 1 1 87 87 SER CB C 87 63.064 63.064 62.926 0.138 17482 5272 1 9 . 1 1 87 87 SER H H 87 7.863 7.863 7.643 0.220 17482 5273 1 9 . 1 1 88 88 LYS N N 88 120.925 120.925 121.319 -0.394 17482 5274 1 9 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.026 0.319 17482 5275 1 9 . 1 1 88 88 LYS C C 88 178.502 178.502 178.890 -0.388 17482 5276 1 9 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.557 -0.861 17482 5277 1 9 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.179 -0.168 17482 5278 1 9 . 1 1 88 88 LYS H H 88 7.843 7.843 7.467 0.376 17482 5279 1 9 . 1 1 89 89 LEU N N 89 119.955 119.955 121.218 -1.263 17482 5280 1 9 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.905 0.200 17482 5281 1 9 . 1 1 89 89 LEU C C 89 178.209 178.209 178.554 -0.345 17482 5282 1 9 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.019 0.178 17482 5283 1 9 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.546 0.085 17482 5284 1 9 . 1 1 89 89 LEU H H 89 8.174 8.174 8.439 -0.265 17482 5285 1 9 . 1 1 90 90 ASN N N 90 117.013 117.013 116.473 0.540 17482 5286 1 9 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.392 0.001 17482 5287 1 9 . 1 1 90 90 ASN C C 90 174.164 174.164 177.727 -3.563 17482 5288 1 9 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.333 0.833 17482 5289 1 9 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.010 0.942 17482 5290 1 9 . 1 1 90 90 ASN H H 90 8.223 8.223 8.277 -0.054 17482 5291 1 9 . 1 1 91 91 ASP N N 91 119.959 119.959 118.813 1.146 17482 5292 1 9 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.434 0.023 17482 5293 1 9 . 1 1 91 91 ASP C C 91 178.804 178.804 177.507 1.297 17482 5294 1 9 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.063 0.375 17482 5295 1 9 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.692 -0.513 17482 5296 1 9 . 1 1 91 91 ASP H H 91 8.043 8.043 7.481 0.562 17482 5297 1 9 . 1 1 92 92 ALA N N 92 123.900 123.900 122.396 1.504 17482 5298 1 9 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.253 -0.050 17482 5299 1 9 . 1 1 92 92 ALA C C 92 178.951 178.951 179.539 -0.588 17482 5300 1 9 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.988 0.549 17482 5301 1 9 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.691 -0.187 17482 5302 1 9 . 1 1 92 92 ALA H H 92 8.256 8.256 7.582 0.674 17482 5303 1 9 . 1 1 93 93 VAL N N 93 118.228 118.228 119.870 -1.642 17482 5304 1 9 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.495 0.099 17482 5305 1 9 . 1 1 93 93 VAL C C 93 178.761 178.761 177.993 0.768 17482 5306 1 9 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.686 -0.529 17482 5307 1 9 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.137 0.658 17482 5308 1 9 . 1 1 93 93 VAL H H 93 8.449 8.449 8.599 -0.150 17482 5309 1 9 . 1 1 94 94 GLU N N 94 120.485 120.485 119.351 1.134 17482 5310 1 9 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.943 0.102 17482 5311 1 9 . 1 1 94 94 GLU C C 94 179.347 179.347 179.337 0.010 17482 5312 1 9 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.044 -0.413 17482 5313 1 9 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.618 -0.087 17482 5314 1 9 . 1 1 94 94 GLU H H 94 8.175 8.175 7.868 0.307 17482 5315 1 9 . 1 1 95 95 TYR N N 95 120.806 120.806 119.823 0.983 17482 5316 1 9 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.308 -0.080 17482 5317 1 9 . 1 1 95 95 TYR C C 95 178.407 178.407 177.633 0.774 17482 5318 1 9 . 1 1 95 95 TYR CA C 95 61.561 61.561 60.921 0.640 17482 5319 1 9 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.654 -0.023 17482 5320 1 9 . 1 1 95 95 TYR H H 95 8.197 8.197 7.370 0.827 17482 5321 1 9 . 1 1 96 96 VAL N N 96 118.584 118.584 119.591 -1.007 17482 5322 1 9 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.532 -0.049 17482 5323 1 9 . 1 1 96 96 VAL C C 96 177.752 177.752 177.880 -0.128 17482 5324 1 9 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.178 -0.498 17482 5325 1 9 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.521 0.501 17482 5326 1 9 . 1 1 96 96 VAL H H 96 8.525 8.525 8.593 -0.068 17482 5327 1 9 . 1 1 97 97 SER N N 97 114.566 114.566 114.647 -0.081 17482 5328 1 9 . 1 1 97 97 SER HA H 97 4.080 4.080 4.088 -0.008 17482 5329 1 9 . 1 1 97 97 SER C C 97 176.803 176.803 176.635 0.168 17482 5330 1 9 . 1 1 97 97 SER CA C 97 61.800 61.800 61.656 0.144 17482 5331 1 9 . 1 1 97 97 SER CB C 97 63.258 63.258 62.882 0.376 17482 5332 1 9 . 1 1 97 97 SER H H 97 8.642 8.642 8.788 -0.146 17482 5333 1 9 . 1 1 98 98 GLY N N 98 107.586 107.586 107.058 0.528 17482 5334 1 9 . 1 1 98 98 GLY C C 98 175.553 175.553 175.201 0.352 17482 5335 1 9 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.948 0.608 17482 5336 1 9 . 1 1 98 98 GLY H H 98 7.926 7.926 7.621 0.305 17482 5337 1 9 . 1 1 99 99 ARG N N 99 119.948 119.948 119.447 0.501 17482 5338 1 9 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.289 -0.086 17482 5339 1 9 . 1 1 99 99 ARG C C 99 177.830 177.830 178.227 -0.397 17482 5340 1 9 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.289 -0.160 17482 5341 1 9 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.481 -0.269 17482 5342 1 9 . 1 1 99 99 ARG H H 99 7.611 7.611 7.447 0.164 17482 5343 1 9 . 1 1 100 100 VAL N N 100 116.709 116.709 117.461 -0.752 17482 5344 1 9 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.761 0.179 17482 5345 1 9 . 1 1 100 100 VAL C C 100 176.381 176.381 176.209 0.172 17482 5346 1 9 . 1 1 100 100 VAL CA C 100 63.931 63.931 64.949 -1.018 17482 5347 1 9 . 1 1 100 100 VAL CB C 100 32.331 32.331 32.133 0.198 17482 5348 1 9 . 1 1 100 100 VAL H H 100 7.906 7.906 8.267 -0.361 17482 5349 1 9 . 1 1 101 101 HIS N N 101 117.584 117.584 116.767 0.817 17482 5350 1 9 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.247 0.528 17482 5351 1 9 . 1 1 101 101 HIS C C 101 175.484 175.484 174.217 1.267 17482 5352 1 9 . 1 1 101 101 HIS CA C 101 55.862 55.862 57.470 -1.608 17482 5353 1 9 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.794 -0.277 17482 5354 1 9 . 1 1 101 101 HIS H H 101 8.061 8.061 7.753 0.308 17482 5355 1 9 . 1 1 102 102 GLY N N 102 109.164 109.164 110.118 -0.954 17482 5356 1 9 . 1 1 102 102 GLY C C 102 174.121 174.121 172.784 1.337 17482 5357 1 9 . 1 1 102 102 GLY CA C 102 45.719 45.719 44.629 1.090 17482 5358 1 9 . 1 1 102 102 GLY H H 102 7.990 7.990 7.598 0.392 17482 5359 1 9 . 1 1 103 103 GLU N N 103 120.493 120.493 120.776 -0.283 17482 5360 1 9 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.335 -0.020 17482 5361 1 9 . 1 1 103 103 GLU C C 103 176.467 176.467 175.568 0.899 17482 5362 1 9 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.683 0.768 17482 5363 1 9 . 1 1 103 103 GLU CB C 103 30.731 30.731 31.573 -0.842 17482 5364 1 9 . 1 1 103 103 GLU H H 103 8.320 8.320 8.015 0.305 17482 5365 1 9 . 1 1 104 104 GLU N N 104 122.018 122.018 121.843 0.175 17482 5366 1 9 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.061 0.202 17482 5367 1 9 . 1 1 104 104 GLU C C 104 175.820 175.820 175.247 0.573 17482 5368 1 9 . 1 1 104 104 GLU CA C 104 56.480 56.480 57.072 -0.592 17482 5369 1 9 . 1 1 104 104 GLU CB C 104 30.654 30.654 30.088 0.566 17482 5370 1 9 . 1 1 104 104 GLU H H 104 8.358 8.358 8.548 -0.190 17482 5371 1 9 . 1 1 105 105 ASP N N 105 122.625 122.625 121.013 1.612 17482 5372 1 9 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.748 0.150 17482 5373 1 9 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.813 -2.085 17482 5374 1 9 . 1 1 105 105 ASP CB C 105 41.614 41.614 40.738 0.876 17482 5375 1 9 . 1 1 105 105 ASP H H 105 8.350 8.350 8.348 0.002 17482 5376 1 9 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.592 -0.126 17482 5377 1 9 . 1 1 106 106 PRO C C 106 177.605 177.605 176.206 1.399 17482 5378 1 9 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.058 0.863 17482 5379 1 9 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.399 -0.103 17482 5380 1 9 . 1 1 107 107 THR N N 107 111.954 111.954 112.572 -0.618 17482 5381 1 9 . 1 1 107 107 THR HA H 107 4.281 4.281 4.567 -0.286 17482 5382 1 9 . 1 1 107 107 THR C C 107 174.889 174.889 173.320 1.569 17482 5383 1 9 . 1 1 107 107 THR CA C 107 62.896 62.896 61.152 1.744 17482 5384 1 9 . 1 1 107 107 THR CB C 107 69.593 69.593 70.574 -0.981 17482 5385 1 9 . 1 1 107 107 THR H H 107 8.355 8.355 8.056 0.299 17482 5386 1 9 . 1 1 108 108 LYS N N 108 123.177 123.177 121.238 1.939 17482 5387 1 9 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.545 -0.190 17482 5388 1 9 . 1 1 108 108 LYS C C 108 175.406 175.406 175.982 -0.576 17482 5389 1 9 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.907 0.345 17482 5390 1 9 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.682 -0.718 17482 5391 1 9 . 1 1 108 108 LYS H H 108 7.739 7.739 8.416 -0.677 17482 5392 1 10 . 1 1 2 2 SER HA H 2 4.546 4.546 4.588 -0.042 17482 5393 1 10 . 1 1 2 2 SER CA C 2 58.499 58.499 58.587 -0.088 17482 5394 1 10 . 1 1 2 2 SER CB C 2 64.011 64.011 64.309 -0.298 17482 5395 1 10 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.610 -0.008 17482 5396 1 10 . 1 1 3 3 ASP C C 3 176.010 176.010 174.756 1.254 17482 5397 1 10 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.160 0.576 17482 5398 1 10 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.056 0.213 17482 5399 1 10 . 1 1 4 4 ALA N N 4 123.253 123.253 123.571 -0.318 17482 5400 1 10 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.301 0.025 17482 5401 1 10 . 1 1 4 4 ALA C C 4 178.097 178.097 178.566 -0.469 17482 5402 1 10 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.612 0.235 17482 5403 1 10 . 1 1 4 4 ALA CB C 4 19.323 19.323 19.505 -0.182 17482 5404 1 10 . 1 1 4 4 ALA H H 4 8.095 8.095 8.062 0.033 17482 5405 1 10 . 1 1 5 5 GLY N N 5 107.651 107.651 107.386 0.265 17482 5406 1 10 . 1 1 5 5 GLY C C 5 174.828 174.828 174.773 0.055 17482 5407 1 10 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.813 0.635 17482 5408 1 10 . 1 1 5 5 GLY H H 5 8.167 8.167 8.571 -0.404 17482 5409 1 10 . 1 1 6 6 ARG N N 6 120.230 120.230 120.544 -0.314 17482 5410 1 10 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.263 0.086 17482 5411 1 10 . 1 1 6 6 ARG C C 6 176.562 176.562 176.216 0.346 17482 5412 1 10 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.732 -0.333 17482 5413 1 10 . 1 1 6 6 ARG CB C 6 30.831 30.831 30.686 0.145 17482 5414 1 10 . 1 1 6 6 ARG H H 6 8.060 8.060 7.753 0.307 17482 5415 1 10 . 1 1 7 7 LYS N N 7 121.076 121.076 115.152 5.924 17482 5416 1 10 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.032 0.225 17482 5417 1 10 . 1 1 7 7 LYS C C 7 177.010 177.010 177.306 -0.296 17482 5418 1 10 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.988 -0.068 17482 5419 1 10 . 1 1 7 7 LYS CB C 7 32.831 32.831 31.572 1.260 17482 5420 1 10 . 1 1 7 7 LYS H H 7 8.181 8.181 8.422 -0.241 17482 5421 1 10 . 1 1 8 8 GLY N N 8 108.196 108.196 107.616 0.580 17482 5422 1 10 . 1 1 8 8 GLY C C 8 174.828 174.828 175.825 -0.997 17482 5423 1 10 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.871 -1.042 17482 5424 1 10 . 1 1 8 8 GLY H H 8 8.141 8.141 8.496 -0.355 17482 5425 1 10 . 1 1 9 9 PHE N N 9 120.374 120.374 125.141 -4.767 17482 5426 1 10 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.626 -0.234 17482 5427 1 10 . 1 1 9 9 PHE C C 9 176.898 176.898 177.317 -0.419 17482 5428 1 10 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.899 1.081 17482 5429 1 10 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.513 0.040 17482 5430 1 10 . 1 1 9 9 PHE H H 9 8.072 8.072 8.051 0.021 17482 5431 1 10 . 1 1 10 10 GLY N N 10 107.944 107.944 109.041 -1.097 17482 5432 1 10 . 1 1 10 10 GLY C C 10 175.441 175.441 175.414 0.027 17482 5433 1 10 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.722 -0.900 17482 5434 1 10 . 1 1 10 10 GLY H H 10 8.431 8.431 8.616 -0.185 17482 5435 1 10 . 1 1 11 11 GLU N N 11 121.098 121.098 121.607 -0.509 17482 5436 1 10 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.008 0.092 17482 5437 1 10 . 1 1 11 11 GLU C C 11 175.234 175.234 179.296 -4.062 17482 5438 1 10 . 1 1 11 11 GLU CA C 11 58.971 58.971 60.209 -1.238 17482 5439 1 10 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.399 0.499 17482 5440 1 10 . 1 1 11 11 GLU H H 11 8.003 8.003 8.709 -0.706 17482 5441 1 10 . 1 1 12 12 LYS N N 12 119.103 119.103 118.589 0.514 17482 5442 1 10 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.024 0.120 17482 5443 1 10 . 1 1 12 12 LYS C C 12 178.520 178.520 178.909 -0.389 17482 5444 1 10 . 1 1 12 12 LYS CA C 12 58.337 58.337 59.033 -0.696 17482 5445 1 10 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.131 0.263 17482 5446 1 10 . 1 1 12 12 LYS H H 12 7.930 7.930 7.607 0.323 17482 5447 1 10 . 1 1 13 13 ALA N N 13 121.534 121.534 122.598 -1.064 17482 5448 1 10 . 1 1 13 13 ALA HA H 13 4.011 4.011 4.051 -0.040 17482 5449 1 10 . 1 1 13 13 ALA C C 13 178.364 178.364 179.873 -1.509 17482 5450 1 10 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.242 -0.514 17482 5451 1 10 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.920 0.540 17482 5452 1 10 . 1 1 13 13 ALA H H 13 8.216 8.216 8.494 -0.278 17482 5453 1 10 . 1 1 14 14 SER N N 14 111.263 111.263 112.782 -1.519 17482 5454 1 10 . 1 1 14 14 SER HA H 14 4.114 4.114 4.160 -0.046 17482 5455 1 10 . 1 1 14 14 SER C C 14 176.148 176.148 176.944 -0.796 17482 5456 1 10 . 1 1 14 14 SER CA C 14 61.159 61.159 61.842 -0.683 17482 5457 1 10 . 1 1 14 14 SER CB C 14 63.250 63.250 63.088 0.162 17482 5458 1 10 . 1 1 14 14 SER H H 14 8.000 8.000 8.157 -0.157 17482 5459 1 10 . 1 1 15 15 GLU N N 15 119.902 119.902 120.798 -0.896 17482 5460 1 10 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.159 0.007 17482 5461 1 10 . 1 1 15 15 GLU C C 15 177.493 177.493 177.271 0.222 17482 5462 1 10 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.632 -0.619 17482 5463 1 10 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.589 0.352 17482 5464 1 10 . 1 1 15 15 GLU H H 15 7.724 7.724 7.392 0.332 17482 5465 1 10 . 1 1 16 16 ALA N N 16 120.687 120.687 120.345 0.342 17482 5466 1 10 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.188 0.073 17482 5467 1 10 . 1 1 16 16 ALA C C 16 177.933 177.933 179.699 -1.766 17482 5468 1 10 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.758 -0.983 17482 5469 1 10 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.167 0.377 17482 5470 1 10 . 1 1 16 16 ALA H H 16 7.726 7.726 8.078 -0.352 17482 5471 1 10 . 1 1 17 17 LEU N N 17 116.559 116.559 115.323 1.236 17482 5472 1 10 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.316 0.043 17482 5473 1 10 . 1 1 17 17 LEU C C 17 176.277 176.277 177.643 -1.366 17482 5474 1 10 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.391 -1.457 17482 5475 1 10 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.632 0.932 17482 5476 1 10 . 1 1 17 17 LEU H H 17 7.634 7.634 7.537 0.097 17482 5477 1 10 . 1 1 18 18 LYS N N 18 120.269 120.269 119.976 0.293 17482 5478 1 10 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.241 0.326 17482 5479 1 10 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.818 -1.329 17482 5480 1 10 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.054 0.466 17482 5481 1 10 . 1 1 18 18 LYS H H 18 7.761 7.761 7.682 0.079 17482 5482 1 10 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.384 0.059 17482 5483 1 10 . 1 1 19 19 PRO C C 19 176.984 176.984 176.077 0.907 17482 5484 1 10 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.817 1.016 17482 5485 1 10 . 1 1 19 19 PRO CB C 19 32.247 32.247 30.323 1.925 17482 5486 1 10 . 1 1 20 20 ASP N N 20 119.103 119.103 123.480 -4.377 17482 5487 1 10 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.470 0.132 17482 5488 1 10 . 1 1 20 20 ASP C C 20 176.639 176.639 177.214 -0.575 17482 5489 1 10 . 1 1 20 20 ASP CA C 20 54.497 54.497 55.283 -0.786 17482 5490 1 10 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.570 -0.339 17482 5491 1 10 . 1 1 20 20 ASP H H 20 8.383 8.383 8.120 0.263 17482 5492 1 10 . 1 1 21 21 SER N N 21 115.970 115.970 117.726 -1.756 17482 5493 1 10 . 1 1 21 21 SER HA H 21 4.376 4.376 4.374 0.002 17482 5494 1 10 . 1 1 21 21 SER C C 21 174.889 174.889 174.791 0.098 17482 5495 1 10 . 1 1 21 21 SER CA C 21 59.093 59.093 59.229 -0.136 17482 5496 1 10 . 1 1 21 21 SER CB C 21 63.860 63.860 63.919 -0.059 17482 5497 1 10 . 1 1 21 21 SER H H 21 8.054 8.054 8.801 -0.747 17482 5498 1 10 . 1 1 22 22 GLN N N 22 120.766 120.766 118.901 1.865 17482 5499 1 10 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.448 -0.170 17482 5500 1 10 . 1 1 22 22 GLN C C 22 175.984 175.984 175.353 0.631 17482 5501 1 10 . 1 1 22 22 GLN CA C 22 56.739 56.739 55.965 0.774 17482 5502 1 10 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.547 -0.356 17482 5503 1 10 . 1 1 22 22 GLN H H 22 8.452 8.452 8.279 0.173 17482 5504 1 10 . 1 1 23 23 LYS N N 23 120.410 120.410 122.878 -2.468 17482 5505 1 10 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.492 -0.155 17482 5506 1 10 . 1 1 23 23 LYS C C 23 176.191 176.191 175.384 0.807 17482 5507 1 10 . 1 1 23 23 LYS CA C 23 56.208 56.208 56.443 -0.235 17482 5508 1 10 . 1 1 23 23 LYS CB C 23 33.736 33.736 31.550 2.186 17482 5509 1 10 . 1 1 23 23 LYS H H 23 7.935 7.935 8.436 -0.501 17482 5510 1 10 . 1 1 24 24 SER N N 24 117.302 117.302 117.642 -0.340 17482 5511 1 10 . 1 1 24 24 SER HA H 24 4.492 4.492 4.692 -0.200 17482 5512 1 10 . 1 1 24 24 SER C C 24 175.717 175.717 174.468 1.249 17482 5513 1 10 . 1 1 24 24 SER CA C 24 58.145 58.145 57.001 1.145 17482 5514 1 10 . 1 1 24 24 SER CB C 24 63.815 63.815 65.087 -1.272 17482 5515 1 10 . 1 1 24 24 SER H H 24 8.365 8.365 7.772 0.593 17482 5516 1 10 . 1 1 25 25 TYR N N 25 121.904 121.904 123.542 -1.638 17482 5517 1 10 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.099 0.283 17482 5518 1 10 . 1 1 25 25 TYR C C 25 177.752 177.752 177.309 0.443 17482 5519 1 10 . 1 1 25 25 TYR CA C 25 60.945 60.945 62.438 -1.493 17482 5520 1 10 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.961 -0.140 17482 5521 1 10 . 1 1 25 25 TYR H H 25 8.205 8.205 9.007 -0.802 17482 5522 1 10 . 1 1 26 26 ALA N N 26 121.123 121.123 120.886 0.237 17482 5523 1 10 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.913 0.144 17482 5524 1 10 . 1 1 26 26 ALA C C 26 179.037 179.037 179.969 -0.932 17482 5525 1 10 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.554 -0.018 17482 5526 1 10 . 1 1 26 26 ALA CB C 26 18.474 18.474 17.956 0.518 17482 5527 1 10 . 1 1 26 26 ALA H H 26 8.233 8.233 8.579 -0.346 17482 5528 1 10 . 1 1 27 27 GLU N N 27 117.313 117.313 117.770 -0.457 17482 5529 1 10 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.113 -0.096 17482 5530 1 10 . 1 1 27 27 GLU C C 27 179.166 179.166 179.158 0.008 17482 5531 1 10 . 1 1 27 27 GLU CA C 27 59.478 59.478 58.600 0.878 17482 5532 1 10 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.422 0.444 17482 5533 1 10 . 1 1 27 27 GLU H H 27 7.922 7.922 7.893 0.029 17482 5534 1 10 . 1 1 28 28 GLN N N 28 118.602 118.602 119.309 -0.707 17482 5535 1 10 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.960 0.228 17482 5536 1 10 . 1 1 28 28 GLN C C 28 179.132 179.132 178.668 0.464 17482 5537 1 10 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.746 0.099 17482 5538 1 10 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.486 0.896 17482 5539 1 10 . 1 1 28 28 GLN H H 28 8.179 8.179 7.915 0.264 17482 5540 1 10 . 1 1 29 29 GLY N N 29 107.984 107.984 106.938 1.046 17482 5541 1 10 . 1 1 29 29 GLY C C 29 174.518 174.518 175.691 -1.173 17482 5542 1 10 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.692 0.894 17482 5543 1 10 . 1 1 29 29 GLY H H 29 8.804 8.804 8.497 0.307 17482 5544 1 10 . 1 1 30 30 LYS N N 30 121.339 121.339 122.274 -0.935 17482 5545 1 10 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.894 0.067 17482 5546 1 10 . 1 1 30 30 LYS C C 30 178.925 178.925 179.233 -0.308 17482 5547 1 10 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.217 0.183 17482 5548 1 10 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.269 0.158 17482 5549 1 10 . 1 1 30 30 LYS H H 30 8.406 8.406 7.453 0.953 17482 5550 1 10 . 1 1 31 31 GLU N N 31 119.880 119.880 118.474 1.406 17482 5551 1 10 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.134 -0.094 17482 5552 1 10 . 1 1 31 31 GLU C C 31 177.761 177.761 179.249 -1.488 17482 5553 1 10 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.720 0.811 17482 5554 1 10 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.203 0.328 17482 5555 1 10 . 1 1 31 31 GLU H H 31 8.090 8.090 8.170 -0.080 17482 5556 1 10 . 1 1 32 32 TYR N N 32 119.786 119.786 121.512 -1.726 17482 5557 1 10 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.167 0.104 17482 5558 1 10 . 1 1 32 32 TYR C C 32 178.054 178.054 177.966 0.088 17482 5559 1 10 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.828 -0.108 17482 5560 1 10 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.539 0.391 17482 5561 1 10 . 1 1 32 32 TYR H H 32 8.052 8.052 7.751 0.301 17482 5562 1 10 . 1 1 33 33 ILE N N 33 116.856 116.856 118.059 -1.203 17482 5563 1 10 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.643 0.149 17482 5564 1 10 . 1 1 33 33 ILE C C 33 177.519 177.519 177.867 -0.348 17482 5565 1 10 . 1 1 33 33 ILE CA C 33 64.019 64.019 64.997 -0.978 17482 5566 1 10 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.600 0.511 17482 5567 1 10 . 1 1 33 33 ILE H H 33 8.249 8.249 8.246 0.003 17482 5568 1 10 . 1 1 34 34 THR N N 34 114.203 114.203 114.096 0.107 17482 5569 1 10 . 1 1 34 34 THR HA H 34 3.934 3.934 3.794 0.140 17482 5570 1 10 . 1 1 34 34 THR C C 34 176.579 176.579 176.512 0.067 17482 5571 1 10 . 1 1 34 34 THR CA C 34 66.459 66.459 66.651 -0.192 17482 5572 1 10 . 1 1 34 34 THR CB C 34 68.845 68.845 68.211 0.634 17482 5573 1 10 . 1 1 34 34 THR H H 34 8.254 8.254 8.209 0.045 17482 5574 1 10 . 1 1 35 35 ASP N N 35 121.116 121.116 120.224 0.892 17482 5575 1 10 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.308 0.188 17482 5576 1 10 . 1 1 35 35 ASP C C 35 177.933 177.933 178.319 -0.386 17482 5577 1 10 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.383 -0.321 17482 5578 1 10 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.887 0.941 17482 5579 1 10 . 1 1 35 35 ASP H H 35 7.880 7.880 7.979 -0.099 17482 5580 1 10 . 1 1 36 36 LYS N N 36 116.457 116.457 118.853 -2.396 17482 5581 1 10 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.046 0.111 17482 5582 1 10 . 1 1 36 36 LYS C C 36 177.968 177.968 178.656 -0.688 17482 5583 1 10 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.672 -1.802 17482 5584 1 10 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.279 -0.366 17482 5585 1 10 . 1 1 36 36 LYS H H 36 7.677 7.677 7.481 0.196 17482 5586 1 10 . 1 1 37 37 ALA N N 37 121.588 121.588 121.723 -0.135 17482 5587 1 10 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.114 -0.109 17482 5588 1 10 . 1 1 37 37 ALA C C 37 178.795 178.795 179.938 -1.143 17482 5589 1 10 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.948 0.383 17482 5590 1 10 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.165 0.309 17482 5591 1 10 . 1 1 37 37 ALA H H 37 8.296 8.296 8.252 0.044 17482 5592 1 10 . 1 1 38 38 ASP N N 38 116.490 116.490 118.918 -2.428 17482 5593 1 10 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.503 -0.094 17482 5594 1 10 . 1 1 38 38 ASP C C 38 178.347 178.347 178.505 -0.158 17482 5595 1 10 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.034 -0.305 17482 5596 1 10 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.028 0.020 17482 5597 1 10 . 1 1 38 38 ASP H H 38 8.046 8.046 8.033 0.013 17482 5598 1 10 . 1 1 39 39 LYS N N 39 118.627 118.627 120.709 -2.082 17482 5599 1 10 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.044 0.104 17482 5600 1 10 . 1 1 39 39 LYS C C 39 178.588 178.588 178.824 -0.236 17482 5601 1 10 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.739 -1.512 17482 5602 1 10 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.551 0.106 17482 5603 1 10 . 1 1 39 39 LYS H H 39 7.757 7.757 7.845 -0.088 17482 5604 1 10 . 1 1 40 40 VAL N N 40 116.146 116.146 118.766 -2.620 17482 5605 1 10 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.746 0.163 17482 5606 1 10 . 1 1 40 40 VAL C C 40 176.683 176.683 177.356 -0.673 17482 5607 1 10 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.678 -1.270 17482 5608 1 10 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.661 0.673 17482 5609 1 10 . 1 1 40 40 VAL H H 40 7.792 7.792 8.068 -0.276 17482 5610 1 10 . 1 1 41 41 ALA N N 41 122.561 122.561 121.005 1.556 17482 5611 1 10 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.222 -0.099 17482 5612 1 10 . 1 1 41 41 ALA C C 41 179.106 179.106 179.733 -0.627 17482 5613 1 10 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.539 -0.010 17482 5614 1 10 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.424 0.177 17482 5615 1 10 . 1 1 41 41 ALA H H 41 8.094 8.094 7.522 0.572 17482 5616 1 10 . 1 1 42 42 GLY N N 42 105.072 105.072 106.568 -1.496 17482 5617 1 10 . 1 1 42 42 GLY C C 42 174.941 174.941 176.068 -1.127 17482 5618 1 10 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.439 -0.412 17482 5619 1 10 . 1 1 42 42 GLY H H 42 8.044 8.044 8.262 -0.218 17482 5620 1 10 . 1 1 43 43 LYS N N 43 119.123 119.123 119.521 -0.398 17482 5621 1 10 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.130 0.211 17482 5622 1 10 . 1 1 43 43 LYS C C 43 176.631 176.631 177.049 -0.418 17482 5623 1 10 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.936 -0.139 17482 5624 1 10 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.561 0.835 17482 5625 1 10 . 1 1 43 43 LYS H H 43 7.834 7.834 8.097 -0.263 17482 5626 1 10 . 1 1 44 44 VAL N N 44 116.413 116.413 119.434 -3.021 17482 5627 1 10 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.152 -0.006 17482 5628 1 10 . 1 1 44 44 VAL C C 44 175.018 175.018 174.611 0.407 17482 5629 1 10 . 1 1 44 44 VAL CA C 44 62.331 62.331 60.643 1.688 17482 5630 1 10 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.969 -0.328 17482 5631 1 10 . 1 1 44 44 VAL H H 44 7.650 7.650 7.154 0.496 17482 5632 1 10 . 1 1 45 45 GLN N N 45 122.078 122.078 122.726 -0.648 17482 5633 1 10 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.144 0.515 17482 5634 1 10 . 1 1 45 45 GLN CA C 45 53.664 53.664 55.605 -1.941 17482 5635 1 10 . 1 1 45 45 GLN CB C 45 29.329 29.329 27.958 1.371 17482 5636 1 10 . 1 1 45 45 GLN H H 45 8.154 8.154 8.610 -0.456 17482 5637 1 10 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.591 -0.158 17482 5638 1 10 . 1 1 46 46 PRO C C 46 177.329 177.329 176.853 0.476 17482 5639 1 10 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.650 1.104 17482 5640 1 10 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.047 0.184 17482 5641 1 10 . 1 1 47 47 GLU N N 47 119.456 119.456 118.985 0.471 17482 5642 1 10 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.060 0.151 17482 5643 1 10 . 1 1 47 47 GLU C C 47 176.484 176.484 176.353 0.131 17482 5644 1 10 . 1 1 47 47 GLU CA C 47 57.468 57.468 58.029 -0.561 17482 5645 1 10 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.640 0.689 17482 5646 1 10 . 1 1 47 47 GLU H H 47 8.491 8.491 8.505 -0.014 17482 5647 1 10 . 1 1 48 48 ASP N N 48 119.108 119.108 116.682 2.426 17482 5648 1 10 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.363 0.222 17482 5649 1 10 . 1 1 48 48 ASP C C 48 175.863 175.863 176.241 -0.378 17482 5650 1 10 . 1 1 48 48 ASP CA C 48 54.579 54.579 54.990 -0.411 17482 5651 1 10 . 1 1 48 48 ASP CB C 48 41.131 41.131 41.112 0.019 17482 5652 1 10 . 1 1 48 48 ASP H H 48 8.137 8.137 7.727 0.410 17482 5653 1 10 . 1 1 49 49 ASN N N 49 117.714 117.714 118.425 -0.711 17482 5654 1 10 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.495 0.170 17482 5655 1 10 . 1 1 49 49 ASN C C 49 174.975 174.975 174.931 0.044 17482 5656 1 10 . 1 1 49 49 ASN CA C 49 53.728 53.728 54.980 -1.252 17482 5657 1 10 . 1 1 49 49 ASN CB C 49 39.131 39.131 38.698 0.433 17482 5658 1 10 . 1 1 49 49 ASN H H 49 8.173 8.173 8.560 -0.387 17482 5659 1 10 . 1 1 50 50 LYS N N 50 120.215 120.215 118.102 2.113 17482 5660 1 10 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.546 -0.238 17482 5661 1 10 . 1 1 50 50 LYS C C 50 176.950 176.950 175.267 1.683 17482 5662 1 10 . 1 1 50 50 LYS CA C 50 56.828 56.828 55.295 1.533 17482 5663 1 10 . 1 1 50 50 LYS CB C 50 33.031 33.031 32.116 0.915 17482 5664 1 10 . 1 1 50 50 LYS H H 50 8.098 8.098 7.724 0.374 17482 5665 1 10 . 1 1 51 51 GLY N N 51 109.286 109.286 111.488 -2.202 17482 5666 1 10 . 1 1 51 51 GLY C C 51 175.251 175.251 174.794 0.457 17482 5667 1 10 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.312 0.601 17482 5668 1 10 . 1 1 51 51 GLY H H 51 8.295 8.295 8.653 -0.358 17482 5669 1 10 . 1 1 52 52 VAL N N 52 119.528 119.528 119.175 0.353 17482 5670 1 10 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.787 0.077 17482 5671 1 10 . 1 1 52 52 VAL C C 52 176.372 176.372 176.712 -0.340 17482 5672 1 10 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.792 -0.446 17482 5673 1 10 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.733 0.497 17482 5674 1 10 . 1 1 52 52 VAL H H 52 7.940 7.940 8.168 -0.228 17482 5675 1 10 . 1 1 53 53 PHE N N 53 118.265 118.265 117.254 1.011 17482 5676 1 10 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.432 0.161 17482 5677 1 10 . 1 1 53 53 PHE C C 53 176.441 176.441 177.647 -1.206 17482 5678 1 10 . 1 1 53 53 PHE CA C 53 58.676 58.676 61.033 -2.357 17482 5679 1 10 . 1 1 53 53 PHE CB C 53 38.635 38.635 39.549 -0.914 17482 5680 1 10 . 1 1 53 53 PHE H H 53 8.046 8.046 8.029 0.017 17482 5681 1 10 . 1 1 54 54 GLN N N 54 119.441 119.441 119.951 -0.510 17482 5682 1 10 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.074 0.097 17482 5683 1 10 . 1 1 54 54 GLN C C 54 177.166 177.166 178.488 -1.322 17482 5684 1 10 . 1 1 54 54 GLN CA C 54 57.549 57.549 58.865 -1.316 17482 5685 1 10 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.357 1.142 17482 5686 1 10 . 1 1 54 54 GLN H H 54 7.978 7.978 8.827 -0.849 17482 5687 1 10 . 1 1 55 55 GLY N N 55 107.822 107.822 108.140 -0.318 17482 5688 1 10 . 1 1 55 55 GLY C C 55 175.294 175.294 175.551 -0.257 17482 5689 1 10 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.958 -0.770 17482 5690 1 10 . 1 1 55 55 GLY H H 55 8.120 8.120 8.225 -0.105 17482 5691 1 10 . 1 1 56 56 VAL N N 56 119.174 119.174 119.736 -0.562 17482 5692 1 10 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.666 0.306 17482 5693 1 10 . 1 1 56 56 VAL C C 56 176.527 176.527 176.669 -0.142 17482 5694 1 10 . 1 1 56 56 VAL CA C 56 64.004 64.004 64.740 -0.736 17482 5695 1 10 . 1 1 56 56 VAL CB C 56 32.192 32.192 32.154 0.038 17482 5696 1 10 . 1 1 56 56 VAL H H 56 7.774 7.774 7.623 0.151 17482 5697 1 10 . 1 1 57 57 HIS N N 57 119.221 119.221 117.628 1.593 17482 5698 1 10 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.463 0.079 17482 5699 1 10 . 1 1 57 57 HIS CA C 57 56.973 56.973 57.354 -0.381 17482 5700 1 10 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.583 -0.975 17482 5701 1 10 . 1 1 57 57 HIS H H 57 8.201 8.201 8.335 -0.134 17482 5702 1 10 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.280 0.300 17482 5703 1 10 . 1 1 58 58 ASP C C 58 177.097 177.097 178.158 -1.061 17482 5704 1 10 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.219 -2.198 17482 5705 1 10 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.632 0.604 17482 5706 1 10 . 1 1 59 59 SER N N 59 116.347 116.347 115.530 0.817 17482 5707 1 10 . 1 1 59 59 SER HA H 59 4.372 4.372 4.205 0.167 17482 5708 1 10 . 1 1 59 59 SER C C 59 175.087 175.087 176.325 -1.238 17482 5709 1 10 . 1 1 59 59 SER CA C 59 59.207 59.207 60.955 -1.748 17482 5710 1 10 . 1 1 59 59 SER CB C 59 63.780 63.780 63.287 0.493 17482 5711 1 10 . 1 1 59 59 SER H H 59 8.134 8.134 7.754 0.380 17482 5712 1 10 . 1 1 60 60 ALA N N 60 125.097 125.097 123.409 1.688 17482 5713 1 10 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.264 -0.011 17482 5714 1 10 . 1 1 60 60 ALA C C 60 178.192 178.192 178.385 -0.193 17482 5715 1 10 . 1 1 60 60 ALA CA C 60 53.561 53.561 53.477 0.084 17482 5716 1 10 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.762 0.316 17482 5717 1 10 . 1 1 60 60 ALA H H 60 8.203 8.203 7.795 0.408 17482 5718 1 10 . 1 1 61 61 GLU N N 61 118.432 118.432 118.344 0.088 17482 5719 1 10 . 1 1 61 61 GLU HA H 61 4.200 4.200 3.998 0.202 17482 5720 1 10 . 1 1 61 61 GLU C C 61 177.036 177.036 177.424 -0.388 17482 5721 1 10 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.743 -0.519 17482 5722 1 10 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.539 0.689 17482 5723 1 10 . 1 1 61 61 GLU H H 61 8.095 8.095 7.579 0.516 17482 5724 1 10 . 1 1 62 62 LYS N N 62 120.770 120.770 119.577 1.193 17482 5725 1 10 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.123 0.174 17482 5726 1 10 . 1 1 62 62 LYS C C 62 177.450 177.450 176.432 1.018 17482 5727 1 10 . 1 1 62 62 LYS CA C 62 56.826 56.826 56.850 -0.024 17482 5728 1 10 . 1 1 62 62 LYS CB C 62 32.943 32.943 32.678 0.265 17482 5729 1 10 . 1 1 62 62 LYS H H 62 7.969 7.969 7.718 0.251 17482 5730 1 10 . 1 1 63 63 GLY N N 63 108.912 108.912 111.292 -2.380 17482 5731 1 10 . 1 1 63 63 GLY C C 63 174.432 174.432 172.441 1.991 17482 5732 1 10 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.433 1.318 17482 5733 1 10 . 1 1 63 63 GLY H H 63 8.287 8.287 8.197 0.090 17482 5734 1 10 . 1 1 64 64 LYS N N 64 120.529 120.529 120.935 -0.406 17482 5735 1 10 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.595 -0.297 17482 5736 1 10 . 1 1 64 64 LYS C C 64 176.622 176.622 174.494 2.128 17482 5737 1 10 . 1 1 64 64 LYS CA C 64 56.731 56.731 55.395 1.336 17482 5738 1 10 . 1 1 64 64 LYS CB C 64 33.117 33.117 34.175 -1.058 17482 5739 1 10 . 1 1 64 64 LYS H H 64 8.019 8.019 8.070 -0.051 17482 5740 1 10 . 1 1 65 65 ASP N N 65 120.673 120.673 119.759 0.914 17482 5741 1 10 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.936 -0.356 17482 5742 1 10 . 1 1 65 65 ASP C C 65 176.226 176.226 175.226 1.000 17482 5743 1 10 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.648 1.135 17482 5744 1 10 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.914 -1.742 17482 5745 1 10 . 1 1 65 65 ASP H H 65 8.296 8.296 8.580 -0.284 17482 5746 1 10 . 1 1 66 66 ASN N N 66 118.902 118.902 117.760 1.142 17482 5747 1 10 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.719 -0.029 17482 5748 1 10 . 1 1 66 66 ASN C C 66 175.217 175.217 174.299 0.918 17482 5749 1 10 . 1 1 66 66 ASN CA C 66 53.475 53.475 53.223 0.252 17482 5750 1 10 . 1 1 66 66 ASN CB C 66 39.117 39.117 39.161 -0.044 17482 5751 1 10 . 1 1 66 66 ASN H H 66 8.212 8.212 8.730 -0.518 17482 5752 1 10 . 1 1 67 67 ALA N N 67 124.149 124.149 122.442 1.707 17482 5753 1 10 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.202 0.098 17482 5754 1 10 . 1 1 67 67 ALA C C 67 177.890 177.890 176.471 1.419 17482 5755 1 10 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.733 0.320 17482 5756 1 10 . 1 1 67 67 ALA CB C 67 19.427 19.427 18.848 0.579 17482 5757 1 10 . 1 1 67 67 ALA H H 67 8.212 8.212 7.847 0.365 17482 5758 1 10 . 1 1 68 68 GLU N N 68 119.216 119.216 120.470 -1.254 17482 5759 1 10 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.289 -0.018 17482 5760 1 10 . 1 1 68 68 GLU C C 68 177.243 177.243 176.724 0.519 17482 5761 1 10 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.069 0.729 17482 5762 1 10 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.120 0.038 17482 5763 1 10 . 1 1 68 68 GLU H H 68 8.286 8.286 8.728 -0.442 17482 5764 1 10 . 1 1 69 69 GLY N N 69 109.637 109.637 109.987 -0.350 17482 5765 1 10 . 1 1 69 69 GLY C C 69 174.371 174.371 173.195 1.176 17482 5766 1 10 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.374 0.260 17482 5767 1 10 . 1 1 69 69 GLY H H 69 8.293 8.293 8.205 0.088 17482 5768 1 10 . 1 1 70 70 GLN N N 70 119.629 119.629 119.033 0.596 17482 5769 1 10 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.333 0.060 17482 5770 1 10 . 1 1 70 70 GLN C C 70 176.502 176.502 175.230 1.272 17482 5771 1 10 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.904 0.143 17482 5772 1 10 . 1 1 70 70 GLN CB C 70 29.627 29.627 29.164 0.463 17482 5773 1 10 . 1 1 70 70 GLN H H 70 8.201 8.201 8.307 -0.106 17482 5774 1 10 . 1 1 71 71 GLY N N 71 109.977 109.977 113.044 -3.067 17482 5775 1 10 . 1 1 71 71 GLY C C 71 173.992 173.992 174.258 -0.266 17482 5776 1 10 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.915 0.719 17482 5777 1 10 . 1 1 71 71 GLY H H 71 8.424 8.424 8.450 -0.026 17482 5778 1 10 . 1 1 72 72 GLU N N 72 120.532 120.532 122.722 -2.190 17482 5779 1 10 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.389 0.022 17482 5780 1 10 . 1 1 72 72 GLU C C 72 176.639 176.639 176.315 0.324 17482 5781 1 10 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.232 0.386 17482 5782 1 10 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.309 0.422 17482 5783 1 10 . 1 1 72 72 GLU H H 72 8.244 8.244 8.290 -0.046 17482 5784 1 10 . 1 1 73 73 SER N N 73 117.827 117.827 120.003 -2.176 17482 5785 1 10 . 1 1 73 73 SER HA H 73 4.589 4.589 4.295 0.294 17482 5786 1 10 . 1 1 73 73 SER C C 73 175.475 175.475 175.818 -0.343 17482 5787 1 10 . 1 1 73 73 SER CA C 73 58.064 58.064 58.862 -0.798 17482 5788 1 10 . 1 1 73 73 SER CB C 73 64.761 64.761 62.998 1.763 17482 5789 1 10 . 1 1 73 73 SER H H 73 8.689 8.689 8.770 -0.081 17482 5790 1 10 . 1 1 74 74 LEU N N 74 124.414 124.414 128.829 -4.415 17482 5791 1 10 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.016 0.185 17482 5792 1 10 . 1 1 74 74 LEU C C 74 178.735 178.735 177.633 1.102 17482 5793 1 10 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.468 0.427 17482 5794 1 10 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.725 0.209 17482 5795 1 10 . 1 1 74 74 LEU H H 74 8.514 8.514 8.429 0.085 17482 5796 1 10 . 1 1 75 75 ALA N N 75 120.291 120.291 119.869 0.422 17482 5797 1 10 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.975 0.015 17482 5798 1 10 . 1 1 75 75 ALA C C 75 179.046 179.046 180.095 -1.049 17482 5799 1 10 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.981 0.286 17482 5800 1 10 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.680 0.914 17482 5801 1 10 . 1 1 75 75 ALA H H 75 8.160 8.160 8.292 -0.132 17482 5802 1 10 . 1 1 76 76 ASP N N 76 117.288 117.288 117.385 -0.097 17482 5803 1 10 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.516 -0.110 17482 5804 1 10 . 1 1 76 76 ASP C C 76 178.476 178.476 178.713 -0.237 17482 5805 1 10 . 1 1 76 76 ASP CA C 76 57.133 57.133 57.113 0.020 17482 5806 1 10 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.194 -0.542 17482 5807 1 10 . 1 1 76 76 ASP H H 76 7.773 7.773 8.175 -0.402 17482 5808 1 10 . 1 1 77 77 GLN N N 77 119.454 119.454 118.859 0.595 17482 5809 1 10 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.181 -0.019 17482 5810 1 10 . 1 1 77 77 GLN C C 77 178.037 178.037 178.105 -0.068 17482 5811 1 10 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.272 0.109 17482 5812 1 10 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.952 0.528 17482 5813 1 10 . 1 1 77 77 GLN H H 77 7.994 7.994 7.542 0.452 17482 5814 1 10 . 1 1 78 78 ALA N N 78 121.577 121.577 123.178 -1.601 17482 5815 1 10 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.173 -0.024 17482 5816 1 10 . 1 1 78 78 ALA C C 78 178.977 178.977 179.493 -0.516 17482 5817 1 10 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.294 -0.163 17482 5818 1 10 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.265 0.391 17482 5819 1 10 . 1 1 78 78 ALA H H 78 8.498 8.498 8.724 -0.226 17482 5820 1 10 . 1 1 79 79 ARG N N 79 117.138 117.138 118.464 -1.326 17482 5821 1 10 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.041 -0.029 17482 5822 1 10 . 1 1 79 79 ARG C C 79 175.449 175.449 178.799 -3.350 17482 5823 1 10 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.119 0.384 17482 5824 1 10 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.817 0.329 17482 5825 1 10 . 1 1 79 79 ARG H H 79 8.101 8.101 7.795 0.306 17482 5826 1 10 . 1 1 80 80 ASP N N 80 120.784 120.784 119.615 1.169 17482 5827 1 10 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.526 -0.013 17482 5828 1 10 . 1 1 80 80 ASP C C 80 178.882 178.882 178.501 0.381 17482 5829 1 10 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.117 -0.241 17482 5830 1 10 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.922 -0.594 17482 5831 1 10 . 1 1 80 80 ASP H H 80 8.000 8.000 7.705 0.295 17482 5832 1 10 . 1 1 81 81 TYR N N 81 120.298 120.298 121.136 -0.838 17482 5833 1 10 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.323 0.108 17482 5834 1 10 . 1 1 81 81 TYR C C 81 177.855 177.855 177.668 0.187 17482 5835 1 10 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.416 0.418 17482 5836 1 10 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.711 -0.233 17482 5837 1 10 . 1 1 81 81 TYR H H 81 8.127 8.127 7.604 0.522 17482 5838 1 10 . 1 1 82 82 MET N N 82 118.452 118.452 118.035 0.417 17482 5839 1 10 . 1 1 82 82 MET HA H 82 4.239 4.239 3.934 0.305 17482 5840 1 10 . 1 1 82 82 MET C C 82 178.175 178.175 178.641 -0.466 17482 5841 1 10 . 1 1 82 82 MET CA C 82 58.757 58.757 58.486 0.271 17482 5842 1 10 . 1 1 82 82 MET CB C 82 32.631 32.631 31.890 0.741 17482 5843 1 10 . 1 1 82 82 MET H H 82 8.382 8.382 8.953 -0.571 17482 5844 1 10 . 1 1 83 83 GLY N N 83 106.740 106.740 105.643 1.097 17482 5845 1 10 . 1 1 83 83 GLY C C 83 176.717 176.717 175.434 1.283 17482 5846 1 10 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.250 0.081 17482 5847 1 10 . 1 1 83 83 GLY H H 83 8.308 8.308 8.072 0.236 17482 5848 1 10 . 1 1 84 84 ALA N N 84 125.357 125.357 123.694 1.663 17482 5849 1 10 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.352 -0.065 17482 5850 1 10 . 1 1 84 84 ALA C C 84 180.149 180.149 179.217 0.932 17482 5851 1 10 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.167 0.480 17482 5852 1 10 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.459 0.082 17482 5853 1 10 . 1 1 84 84 ALA H H 84 7.905 7.905 7.497 0.408 17482 5854 1 10 . 1 1 85 85 ALA N N 85 121.332 121.332 121.832 -0.500 17482 5855 1 10 . 1 1 85 85 ALA HA H 85 4.025 4.025 4.009 0.016 17482 5856 1 10 . 1 1 85 85 ALA C C 85 178.847 178.847 179.365 -0.518 17482 5857 1 10 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.956 0.327 17482 5858 1 10 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.372 0.115 17482 5859 1 10 . 1 1 85 85 ALA H H 85 8.341 8.341 8.035 0.306 17482 5860 1 10 . 1 1 86 86 LYS N N 86 116.980 116.980 118.841 -1.861 17482 5861 1 10 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.912 -0.040 17482 5862 1 10 . 1 1 86 86 LYS C C 86 178.485 178.485 178.725 -0.240 17482 5863 1 10 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.748 0.445 17482 5864 1 10 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.606 0.725 17482 5865 1 10 . 1 1 86 86 LYS H H 86 8.360 8.360 8.688 -0.328 17482 5866 1 10 . 1 1 87 87 SER N N 87 113.632 113.632 115.051 -1.419 17482 5867 1 10 . 1 1 87 87 SER HA H 87 4.299 4.299 4.190 0.109 17482 5868 1 10 . 1 1 87 87 SER C C 87 176.467 176.467 176.684 -0.217 17482 5869 1 10 . 1 1 87 87 SER CA C 87 61.614 61.614 61.073 0.541 17482 5870 1 10 . 1 1 87 87 SER CB C 87 63.064 63.064 62.927 0.137 17482 5871 1 10 . 1 1 87 87 SER H H 87 7.863 7.863 7.656 0.207 17482 5872 1 10 . 1 1 88 88 LYS N N 88 120.925 120.925 121.622 -0.697 17482 5873 1 10 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.037 0.308 17482 5874 1 10 . 1 1 88 88 LYS C C 88 178.502 178.502 178.943 -0.441 17482 5875 1 10 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.573 -0.877 17482 5876 1 10 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.194 -0.182 17482 5877 1 10 . 1 1 88 88 LYS H H 88 7.843 7.843 7.500 0.343 17482 5878 1 10 . 1 1 89 89 LEU N N 89 119.955 119.955 121.581 -1.626 17482 5879 1 10 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.918 0.187 17482 5880 1 10 . 1 1 89 89 LEU C C 89 178.209 178.209 178.521 -0.312 17482 5881 1 10 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.005 0.192 17482 5882 1 10 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.524 0.107 17482 5883 1 10 . 1 1 89 89 LEU H H 89 8.174 8.174 8.530 -0.356 17482 5884 1 10 . 1 1 90 90 ASN N N 90 117.013 117.013 116.366 0.647 17482 5885 1 10 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.378 0.015 17482 5886 1 10 . 1 1 90 90 ASN C C 90 174.164 174.164 177.829 -3.665 17482 5887 1 10 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.410 0.756 17482 5888 1 10 . 1 1 90 90 ASN CB C 90 38.952 38.952 37.925 1.027 17482 5889 1 10 . 1 1 90 90 ASN H H 90 8.223 8.223 8.091 0.132 17482 5890 1 10 . 1 1 91 91 ASP N N 91 119.959 119.959 119.161 0.798 17482 5891 1 10 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.432 0.025 17482 5892 1 10 . 1 1 91 91 ASP C C 91 178.804 178.804 177.393 1.411 17482 5893 1 10 . 1 1 91 91 ASP CA C 91 57.438 57.438 56.774 0.664 17482 5894 1 10 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.742 -0.563 17482 5895 1 10 . 1 1 91 91 ASP H H 91 8.043 8.043 7.484 0.559 17482 5896 1 10 . 1 1 92 92 ALA N N 92 123.900 123.900 122.407 1.493 17482 5897 1 10 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.284 -0.081 17482 5898 1 10 . 1 1 92 92 ALA C C 92 178.951 178.951 179.563 -0.612 17482 5899 1 10 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.881 0.656 17482 5900 1 10 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.765 -0.261 17482 5901 1 10 . 1 1 92 92 ALA H H 92 8.256 8.256 7.592 0.664 17482 5902 1 10 . 1 1 93 93 VAL N N 93 118.228 118.228 119.647 -1.419 17482 5903 1 10 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.451 0.143 17482 5904 1 10 . 1 1 93 93 VAL C C 93 178.761 178.761 177.990 0.771 17482 5905 1 10 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.403 -0.246 17482 5906 1 10 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.279 0.516 17482 5907 1 10 . 1 1 93 93 VAL H H 93 8.449 8.449 8.673 -0.224 17482 5908 1 10 . 1 1 94 94 GLU N N 94 120.485 120.485 119.351 1.134 17482 5909 1 10 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.961 0.084 17482 5910 1 10 . 1 1 94 94 GLU C C 94 179.347 179.347 179.289 0.058 17482 5911 1 10 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.066 -0.435 17482 5912 1 10 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.509 0.021 17482 5913 1 10 . 1 1 94 94 GLU H H 94 8.175 8.175 7.856 0.319 17482 5914 1 10 . 1 1 95 95 TYR N N 95 120.806 120.806 119.716 1.090 17482 5915 1 10 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.295 -0.067 17482 5916 1 10 . 1 1 95 95 TYR C C 95 178.407 178.407 177.616 0.791 17482 5917 1 10 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.181 0.380 17482 5918 1 10 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.605 0.026 17482 5919 1 10 . 1 1 95 95 TYR H H 95 8.197 8.197 7.381 0.816 17482 5920 1 10 . 1 1 96 96 VAL N N 96 118.584 118.584 119.612 -1.028 17482 5921 1 10 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.679 -0.196 17482 5922 1 10 . 1 1 96 96 VAL C C 96 177.752 177.752 178.278 -0.526 17482 5923 1 10 . 1 1 96 96 VAL CA C 96 66.680 66.680 66.246 0.435 17482 5924 1 10 . 1 1 96 96 VAL CB C 96 32.022 32.022 30.787 1.235 17482 5925 1 10 . 1 1 96 96 VAL H H 96 8.525 8.525 8.531 -0.006 17482 5926 1 10 . 1 1 97 97 SER N N 97 114.566 114.566 114.820 -0.254 17482 5927 1 10 . 1 1 97 97 SER HA H 97 4.080 4.080 4.153 -0.073 17482 5928 1 10 . 1 1 97 97 SER C C 97 176.803 176.803 176.838 -0.035 17482 5929 1 10 . 1 1 97 97 SER CA C 97 61.800 61.800 62.354 -0.554 17482 5930 1 10 . 1 1 97 97 SER CB C 97 63.258 63.258 62.906 0.352 17482 5931 1 10 . 1 1 97 97 SER H H 97 8.642 8.642 8.866 -0.224 17482 5932 1 10 . 1 1 98 98 GLY N N 98 107.586 107.586 106.656 0.930 17482 5933 1 10 . 1 1 98 98 GLY C C 98 175.553 175.553 175.208 0.345 17482 5934 1 10 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.736 0.820 17482 5935 1 10 . 1 1 98 98 GLY H H 98 7.926 7.926 7.642 0.284 17482 5936 1 10 . 1 1 99 99 ARG N N 99 119.948 119.948 120.287 -0.339 17482 5937 1 10 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.265 -0.062 17482 5938 1 10 . 1 1 99 99 ARG C C 99 177.830 177.830 178.690 -0.860 17482 5939 1 10 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.166 -0.037 17482 5940 1 10 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.717 -0.505 17482 5941 1 10 . 1 1 99 99 ARG H H 99 7.611 7.611 7.432 0.179 17482 5942 1 10 . 1 1 100 100 VAL N N 100 116.709 116.709 118.102 -1.393 17482 5943 1 10 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.685 0.255 17482 5944 1 10 . 1 1 100 100 VAL C C 100 176.381 176.381 176.907 -0.526 17482 5945 1 10 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.874 -1.943 17482 5946 1 10 . 1 1 100 100 VAL CB C 100 32.331 32.331 32.042 0.289 17482 5947 1 10 . 1 1 100 100 VAL H H 100 7.906 7.906 8.436 -0.530 17482 5948 1 10 . 1 1 101 101 HIS N N 101 117.584 117.584 114.645 2.939 17482 5949 1 10 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.579 0.196 17482 5950 1 10 . 1 1 101 101 HIS C C 101 175.484 175.484 174.556 0.928 17482 5951 1 10 . 1 1 101 101 HIS CA C 101 55.862 55.862 55.597 0.265 17482 5952 1 10 . 1 1 101 101 HIS CB C 101 29.517 29.517 31.896 -2.379 17482 5953 1 10 . 1 1 101 101 HIS H H 101 8.061 8.061 7.663 0.398 17482 5954 1 10 . 1 1 102 102 GLY N N 102 109.164 109.164 109.414 -0.250 17482 5955 1 10 . 1 1 102 102 GLY C C 102 174.121 174.121 173.831 0.290 17482 5956 1 10 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.561 0.158 17482 5957 1 10 . 1 1 102 102 GLY H H 102 7.990 7.990 8.543 -0.553 17482 5958 1 10 . 1 1 103 103 GLU N N 103 120.493 120.493 121.858 -1.365 17482 5959 1 10 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.180 0.135 17482 5960 1 10 . 1 1 103 103 GLU C C 103 176.467 176.467 177.649 -1.182 17482 5961 1 10 . 1 1 103 103 GLU CA C 103 56.451 56.451 56.147 0.304 17482 5962 1 10 . 1 1 103 103 GLU CB C 103 30.731 30.731 31.145 -0.414 17482 5963 1 10 . 1 1 103 103 GLU H H 103 8.320 8.320 8.293 0.027 17482 5964 1 10 . 1 1 104 104 GLU N N 104 122.018 122.018 119.254 2.764 17482 5965 1 10 . 1 1 104 104 GLU HA H 104 4.263 4.263 3.942 0.321 17482 5966 1 10 . 1 1 104 104 GLU C C 104 175.820 175.820 175.935 -0.115 17482 5967 1 10 . 1 1 104 104 GLU CA C 104 56.480 56.480 58.377 -1.897 17482 5968 1 10 . 1 1 104 104 GLU CB C 104 30.654 30.654 29.201 1.452 17482 5969 1 10 . 1 1 104 104 GLU H H 104 8.358 8.358 8.546 -0.188 17482 5970 1 10 . 1 1 105 105 ASP N N 105 122.625 122.625 118.092 4.533 17482 5971 1 10 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.515 0.383 17482 5972 1 10 . 1 1 105 105 ASP CA C 105 51.728 51.728 54.788 -3.061 17482 5973 1 10 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.070 0.544 17482 5974 1 10 . 1 1 105 105 ASP H H 105 8.350 8.350 8.266 0.084 17482 5975 1 10 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.487 -0.021 17482 5976 1 10 . 1 1 106 106 PRO C C 106 177.605 177.605 177.977 -0.372 17482 5977 1 10 . 1 1 106 106 PRO CA C 106 63.921 63.921 62.641 1.280 17482 5978 1 10 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.400 -0.104 17482 5979 1 10 . 1 1 107 107 THR N N 107 111.954 111.954 111.830 0.124 17482 5980 1 10 . 1 1 107 107 THR HA H 107 4.281 4.281 4.060 0.221 17482 5981 1 10 . 1 1 107 107 THR C C 107 174.889 174.889 175.437 -0.548 17482 5982 1 10 . 1 1 107 107 THR CA C 107 62.896 62.896 63.987 -1.091 17482 5983 1 10 . 1 1 107 107 THR CB C 107 69.593 69.593 68.930 0.663 17482 5984 1 10 . 1 1 107 107 THR H H 107 8.355 8.355 8.192 0.163 17482 5985 1 10 . 1 1 108 108 LYS N N 108 123.177 123.177 121.825 1.352 17482 5986 1 10 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.428 -0.073 17482 5987 1 10 . 1 1 108 108 LYS C C 108 175.406 175.406 175.596 -0.190 17482 5988 1 10 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.842 0.410 17482 5989 1 10 . 1 1 108 108 LYS CB C 108 32.964 32.964 31.672 1.292 17482 5990 1 10 . 1 1 108 108 LYS H H 108 7.739 7.739 7.859 -0.120 17482 5991 1 11 . 1 1 2 2 SER HA H 2 4.546 4.546 4.271 0.275 17482 5992 1 11 . 1 1 2 2 SER CA C 2 58.499 58.499 58.898 -0.398 17482 5993 1 11 . 1 1 2 2 SER CB C 2 64.011 64.011 63.058 0.953 17482 5994 1 11 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.624 -0.022 17482 5995 1 11 . 1 1 3 3 ASP C C 3 176.010 176.010 177.248 -1.238 17482 5996 1 11 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.239 0.497 17482 5997 1 11 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.045 0.224 17482 5998 1 11 . 1 1 4 4 ALA N N 4 123.253 123.253 124.383 -1.130 17482 5999 1 11 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.218 0.108 17482 6000 1 11 . 1 1 4 4 ALA C C 4 178.097 178.097 177.861 0.236 17482 6001 1 11 . 1 1 4 4 ALA CA C 4 52.847 52.847 53.854 -1.007 17482 6002 1 11 . 1 1 4 4 ALA CB C 4 19.323 19.323 18.843 0.480 17482 6003 1 11 . 1 1 4 4 ALA H H 4 8.095 8.095 8.246 -0.151 17482 6004 1 11 . 1 1 5 5 GLY N N 5 107.651 107.651 105.303 2.348 17482 6005 1 11 . 1 1 5 5 GLY C C 5 174.828 174.828 172.719 2.109 17482 6006 1 11 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.541 0.908 17482 6007 1 11 . 1 1 5 5 GLY H H 5 8.167 8.167 7.943 0.224 17482 6008 1 11 . 1 1 6 6 ARG N N 6 120.230 120.230 121.162 -0.932 17482 6009 1 11 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.761 -0.412 17482 6010 1 11 . 1 1 6 6 ARG C C 6 176.562 176.562 175.215 1.347 17482 6011 1 11 . 1 1 6 6 ARG CA C 6 56.399 56.399 55.434 0.965 17482 6012 1 11 . 1 1 6 6 ARG CB C 6 30.831 30.831 31.174 -0.343 17482 6013 1 11 . 1 1 6 6 ARG H H 6 8.060 8.060 8.530 -0.470 17482 6014 1 11 . 1 1 7 7 LYS N N 7 121.076 121.076 123.753 -2.677 17482 6015 1 11 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.370 -0.113 17482 6016 1 11 . 1 1 7 7 LYS C C 7 177.010 177.010 176.743 0.267 17482 6017 1 11 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.222 0.698 17482 6018 1 11 . 1 1 7 7 LYS CB C 7 32.831 32.831 33.582 -0.751 17482 6019 1 11 . 1 1 7 7 LYS H H 7 8.181 8.181 8.626 -0.445 17482 6020 1 11 . 1 1 8 8 GLY N N 8 108.196 108.196 113.600 -5.404 17482 6021 1 11 . 1 1 8 8 GLY C C 8 174.828 174.828 175.420 -0.592 17482 6022 1 11 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.056 -0.227 17482 6023 1 11 . 1 1 8 8 GLY H H 8 8.141 8.141 8.652 -0.511 17482 6024 1 11 . 1 1 9 9 PHE N N 9 120.374 120.374 123.124 -2.750 17482 6025 1 11 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.350 0.042 17482 6026 1 11 . 1 1 9 9 PHE C C 9 176.898 176.898 176.988 -0.090 17482 6027 1 11 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.921 1.059 17482 6028 1 11 . 1 1 9 9 PHE CB C 9 39.553 39.553 38.763 0.790 17482 6029 1 11 . 1 1 9 9 PHE H H 9 8.072 8.072 8.232 -0.160 17482 6030 1 11 . 1 1 10 10 GLY N N 10 107.944 107.944 107.331 0.613 17482 6031 1 11 . 1 1 10 10 GLY C C 10 175.441 175.441 176.299 -0.858 17482 6032 1 11 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.363 -0.541 17482 6033 1 11 . 1 1 10 10 GLY H H 10 8.431 8.431 8.599 -0.168 17482 6034 1 11 . 1 1 11 11 GLU N N 11 121.098 121.098 122.112 -1.014 17482 6035 1 11 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.030 0.070 17482 6036 1 11 . 1 1 11 11 GLU C C 11 175.234 175.234 179.224 -3.990 17482 6037 1 11 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.861 -0.890 17482 6038 1 11 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.398 0.500 17482 6039 1 11 . 1 1 11 11 GLU H H 11 8.003 8.003 8.252 -0.249 17482 6040 1 11 . 1 1 12 12 LYS N N 12 119.103 119.103 118.308 0.795 17482 6041 1 11 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.074 0.070 17482 6042 1 11 . 1 1 12 12 LYS C C 12 178.520 178.520 179.172 -0.652 17482 6043 1 11 . 1 1 12 12 LYS CA C 12 58.337 58.337 59.391 -1.054 17482 6044 1 11 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.352 0.042 17482 6045 1 11 . 1 1 12 12 LYS H H 12 7.930 7.930 7.461 0.469 17482 6046 1 11 . 1 1 13 13 ALA N N 13 121.534 121.534 123.484 -1.950 17482 6047 1 11 . 1 1 13 13 ALA HA H 13 4.011 4.011 4.344 -0.333 17482 6048 1 11 . 1 1 13 13 ALA C C 13 178.364 178.364 180.210 -1.846 17482 6049 1 11 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.137 -0.409 17482 6050 1 11 . 1 1 13 13 ALA CB C 13 18.460 18.460 18.231 0.229 17482 6051 1 11 . 1 1 13 13 ALA H H 13 8.216 8.216 8.755 -0.539 17482 6052 1 11 . 1 1 14 14 SER N N 14 111.263 111.263 112.488 -1.225 17482 6053 1 11 . 1 1 14 14 SER HA H 14 4.114 4.114 4.223 -0.109 17482 6054 1 11 . 1 1 14 14 SER C C 14 176.148 176.148 176.908 -0.760 17482 6055 1 11 . 1 1 14 14 SER CA C 14 61.159 61.159 61.828 -0.669 17482 6056 1 11 . 1 1 14 14 SER CB C 14 63.250 63.250 62.914 0.336 17482 6057 1 11 . 1 1 14 14 SER H H 14 8.000 8.000 8.231 -0.231 17482 6058 1 11 . 1 1 15 15 GLU N N 15 119.902 119.902 120.206 -0.304 17482 6059 1 11 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.156 0.010 17482 6060 1 11 . 1 1 15 15 GLU C C 15 177.493 177.493 177.888 -0.395 17482 6061 1 11 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.802 -0.789 17482 6062 1 11 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.581 0.360 17482 6063 1 11 . 1 1 15 15 GLU H H 15 7.724 7.724 7.483 0.241 17482 6064 1 11 . 1 1 16 16 ALA N N 16 120.687 120.687 122.368 -1.681 17482 6065 1 11 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.073 0.188 17482 6066 1 11 . 1 1 16 16 ALA C C 16 177.933 177.933 179.169 -1.236 17482 6067 1 11 . 1 1 16 16 ALA CA C 16 53.775 53.775 55.049 -1.274 17482 6068 1 11 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.067 0.477 17482 6069 1 11 . 1 1 16 16 ALA H H 16 7.726 7.726 8.198 -0.472 17482 6070 1 11 . 1 1 17 17 LEU N N 17 116.559 116.559 116.297 0.262 17482 6071 1 11 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.127 0.232 17482 6072 1 11 . 1 1 17 17 LEU C C 17 176.277 176.277 177.946 -1.669 17482 6073 1 11 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.948 -2.014 17482 6074 1 11 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.609 0.955 17482 6075 1 11 . 1 1 17 17 LEU H H 17 7.634 7.634 7.578 0.056 17482 6076 1 11 . 1 1 18 18 LYS N N 18 120.269 120.269 119.520 0.749 17482 6077 1 11 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.315 0.252 17482 6078 1 11 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.743 -1.254 17482 6079 1 11 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.366 0.154 17482 6080 1 11 . 1 1 18 18 LYS H H 18 7.761 7.761 7.553 0.208 17482 6081 1 11 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.402 0.041 17482 6082 1 11 . 1 1 19 19 PRO C C 19 176.984 176.984 175.965 1.019 17482 6083 1 11 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.254 0.579 17482 6084 1 11 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.367 -0.120 17482 6085 1 11 . 1 1 20 20 ASP N N 20 119.103 119.103 117.237 1.866 17482 6086 1 11 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.759 -0.157 17482 6087 1 11 . 1 1 20 20 ASP C C 20 176.639 176.639 175.689 0.950 17482 6088 1 11 . 1 1 20 20 ASP CA C 20 54.497 54.497 53.507 0.990 17482 6089 1 11 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.968 -0.737 17482 6090 1 11 . 1 1 20 20 ASP H H 20 8.383 8.383 8.353 0.030 17482 6091 1 11 . 1 1 21 21 SER N N 21 115.970 115.970 115.669 0.301 17482 6092 1 11 . 1 1 21 21 SER HA H 21 4.376 4.376 4.429 -0.053 17482 6093 1 11 . 1 1 21 21 SER C C 21 174.889 174.889 174.980 -0.091 17482 6094 1 11 . 1 1 21 21 SER CA C 21 59.093 59.093 58.939 0.154 17482 6095 1 11 . 1 1 21 21 SER CB C 21 63.860 63.860 63.911 -0.051 17482 6096 1 11 . 1 1 21 21 SER H H 21 8.054 8.054 8.471 -0.417 17482 6097 1 11 . 1 1 22 22 GLN N N 22 120.766 120.766 117.762 3.004 17482 6098 1 11 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.235 0.043 17482 6099 1 11 . 1 1 22 22 GLN C C 22 175.984 175.984 176.577 -0.593 17482 6100 1 11 . 1 1 22 22 GLN CA C 22 56.739 56.739 57.220 -0.481 17482 6101 1 11 . 1 1 22 22 GLN CB C 22 29.191 29.191 28.941 0.250 17482 6102 1 11 . 1 1 22 22 GLN H H 22 8.452 8.452 8.508 -0.056 17482 6103 1 11 . 1 1 23 23 LYS N N 23 120.410 120.410 120.318 0.092 17482 6104 1 11 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.557 -0.220 17482 6105 1 11 . 1 1 23 23 LYS C C 23 176.191 176.191 175.368 0.823 17482 6106 1 11 . 1 1 23 23 LYS CA C 23 56.208 56.208 55.126 1.082 17482 6107 1 11 . 1 1 23 23 LYS CB C 23 33.736 33.736 31.199 2.537 17482 6108 1 11 . 1 1 23 23 LYS H H 23 7.935 7.935 7.596 0.339 17482 6109 1 11 . 1 1 24 24 SER N N 24 117.302 117.302 116.943 0.359 17482 6110 1 11 . 1 1 24 24 SER HA H 24 4.492 4.492 4.658 -0.166 17482 6111 1 11 . 1 1 24 24 SER C C 24 175.717 175.717 174.892 0.825 17482 6112 1 11 . 1 1 24 24 SER CA C 24 58.145 58.145 57.569 0.577 17482 6113 1 11 . 1 1 24 24 SER CB C 24 63.815 63.815 64.007 -0.192 17482 6114 1 11 . 1 1 24 24 SER H H 24 8.365 8.365 8.561 -0.196 17482 6115 1 11 . 1 1 25 25 TYR N N 25 121.904 121.904 123.841 -1.937 17482 6116 1 11 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.431 -0.049 17482 6117 1 11 . 1 1 25 25 TYR C C 25 177.752 177.752 177.161 0.591 17482 6118 1 11 . 1 1 25 25 TYR CA C 25 60.945 60.945 62.028 -1.083 17482 6119 1 11 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.636 0.184 17482 6120 1 11 . 1 1 25 25 TYR H H 25 8.205 8.205 8.665 -0.460 17482 6121 1 11 . 1 1 26 26 ALA N N 26 121.123 121.123 121.137 -0.014 17482 6122 1 11 . 1 1 26 26 ALA HA H 26 4.057 4.057 4.045 0.012 17482 6123 1 11 . 1 1 26 26 ALA C C 26 179.037 179.037 180.243 -1.206 17482 6124 1 11 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.236 0.301 17482 6125 1 11 . 1 1 26 26 ALA CB C 26 18.474 18.474 17.776 0.698 17482 6126 1 11 . 1 1 26 26 ALA H H 26 8.233 8.233 8.467 -0.234 17482 6127 1 11 . 1 1 27 27 GLU N N 27 117.313 117.313 118.073 -0.760 17482 6128 1 11 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.189 -0.172 17482 6129 1 11 . 1 1 27 27 GLU C C 27 179.166 179.166 179.181 -0.015 17482 6130 1 11 . 1 1 27 27 GLU CA C 27 59.478 59.478 58.864 0.614 17482 6131 1 11 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.583 0.283 17482 6132 1 11 . 1 1 27 27 GLU H H 27 7.922 7.922 7.905 0.017 17482 6133 1 11 . 1 1 28 28 GLN N N 28 118.602 118.602 119.259 -0.657 17482 6134 1 11 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.941 0.247 17482 6135 1 11 . 1 1 28 28 GLN C C 28 179.132 179.132 178.685 0.447 17482 6136 1 11 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.714 0.131 17482 6137 1 11 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.409 0.973 17482 6138 1 11 . 1 1 28 28 GLN H H 28 8.179 8.179 7.729 0.450 17482 6139 1 11 . 1 1 29 29 GLY N N 29 107.984 107.984 106.983 1.001 17482 6140 1 11 . 1 1 29 29 GLY C C 29 174.518 174.518 175.715 -1.197 17482 6141 1 11 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.736 0.850 17482 6142 1 11 . 1 1 29 29 GLY H H 29 8.804 8.804 8.584 0.220 17482 6143 1 11 . 1 1 30 30 LYS N N 30 121.339 121.339 122.211 -0.872 17482 6144 1 11 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.898 0.063 17482 6145 1 11 . 1 1 30 30 LYS C C 30 178.925 178.925 178.771 0.154 17482 6146 1 11 . 1 1 30 30 LYS CA C 30 60.400 60.400 59.933 0.467 17482 6147 1 11 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.355 0.072 17482 6148 1 11 . 1 1 30 30 LYS H H 30 8.406 8.406 7.416 0.990 17482 6149 1 11 . 1 1 31 31 GLU N N 31 119.880 119.880 119.462 0.418 17482 6150 1 11 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.100 -0.060 17482 6151 1 11 . 1 1 31 31 GLU C C 31 177.761 177.761 178.689 -0.928 17482 6152 1 11 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.611 0.920 17482 6153 1 11 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.083 0.448 17482 6154 1 11 . 1 1 31 31 GLU H H 31 8.090 8.090 8.240 -0.150 17482 6155 1 11 . 1 1 32 32 TYR N N 32 119.786 119.786 120.354 -0.568 17482 6156 1 11 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.128 0.143 17482 6157 1 11 . 1 1 32 32 TYR C C 32 178.054 178.054 177.906 0.148 17482 6158 1 11 . 1 1 32 32 TYR CA C 32 61.720 61.720 62.017 -0.297 17482 6159 1 11 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.486 0.445 17482 6160 1 11 . 1 1 32 32 TYR H H 32 8.052 8.052 7.685 0.367 17482 6161 1 11 . 1 1 33 33 ILE N N 33 116.856 116.856 118.092 -1.236 17482 6162 1 11 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.679 0.113 17482 6163 1 11 . 1 1 33 33 ILE C C 33 177.519 177.519 178.052 -0.533 17482 6164 1 11 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.656 -1.637 17482 6165 1 11 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.820 0.291 17482 6166 1 11 . 1 1 33 33 ILE H H 33 8.249 8.249 7.933 0.316 17482 6167 1 11 . 1 1 34 34 THR N N 34 114.203 114.203 114.522 -0.319 17482 6168 1 11 . 1 1 34 34 THR HA H 34 3.934 3.934 3.868 0.066 17482 6169 1 11 . 1 1 34 34 THR C C 34 176.579 176.579 176.496 0.083 17482 6170 1 11 . 1 1 34 34 THR CA C 34 66.459 66.459 66.711 -0.252 17482 6171 1 11 . 1 1 34 34 THR CB C 34 68.845 68.845 67.885 0.960 17482 6172 1 11 . 1 1 34 34 THR H H 34 8.254 8.254 7.933 0.321 17482 6173 1 11 . 1 1 35 35 ASP N N 35 121.116 121.116 121.425 -0.309 17482 6174 1 11 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.303 0.193 17482 6175 1 11 . 1 1 35 35 ASP C C 35 177.933 177.933 178.394 -0.461 17482 6176 1 11 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.478 -0.416 17482 6177 1 11 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.436 1.392 17482 6178 1 11 . 1 1 35 35 ASP H H 35 7.880 7.880 8.205 -0.325 17482 6179 1 11 . 1 1 36 36 LYS N N 36 116.457 116.457 118.929 -2.472 17482 6180 1 11 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.078 0.079 17482 6181 1 11 . 1 1 36 36 LYS C C 36 177.968 177.968 178.696 -0.728 17482 6182 1 11 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.786 -1.915 17482 6183 1 11 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.331 -0.418 17482 6184 1 11 . 1 1 36 36 LYS H H 36 7.677 7.677 7.646 0.031 17482 6185 1 11 . 1 1 37 37 ALA N N 37 121.588 121.588 121.720 -0.132 17482 6186 1 11 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.146 -0.141 17482 6187 1 11 . 1 1 37 37 ALA C C 37 178.795 178.795 180.047 -1.252 17482 6188 1 11 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.795 0.536 17482 6189 1 11 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.285 0.189 17482 6190 1 11 . 1 1 37 37 ALA H H 37 8.296 8.296 8.292 0.004 17482 6191 1 11 . 1 1 38 38 ASP N N 38 116.490 116.490 118.881 -2.391 17482 6192 1 11 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.515 -0.106 17482 6193 1 11 . 1 1 38 38 ASP C C 38 178.347 178.347 178.502 -0.155 17482 6194 1 11 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.080 -0.351 17482 6195 1 11 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.089 -0.041 17482 6196 1 11 . 1 1 38 38 ASP H H 38 8.046 8.046 8.223 -0.177 17482 6197 1 11 . 1 1 39 39 LYS N N 39 118.627 118.627 120.457 -1.830 17482 6198 1 11 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.072 0.076 17482 6199 1 11 . 1 1 39 39 LYS C C 39 178.588 178.588 179.017 -0.429 17482 6200 1 11 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.703 -1.477 17482 6201 1 11 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.634 0.023 17482 6202 1 11 . 1 1 39 39 LYS H H 39 7.757 7.757 7.773 -0.016 17482 6203 1 11 . 1 1 40 40 VAL N N 40 116.146 116.146 118.866 -2.720 17482 6204 1 11 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.704 0.205 17482 6205 1 11 . 1 1 40 40 VAL C C 40 176.683 176.683 177.106 -0.423 17482 6206 1 11 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.956 -1.548 17482 6207 1 11 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.868 0.466 17482 6208 1 11 . 1 1 40 40 VAL H H 40 7.792 7.792 7.955 -0.163 17482 6209 1 11 . 1 1 41 41 ALA N N 41 122.561 122.561 120.869 1.692 17482 6210 1 11 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.235 -0.112 17482 6211 1 11 . 1 1 41 41 ALA C C 41 179.106 179.106 179.710 -0.604 17482 6212 1 11 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.667 -0.138 17482 6213 1 11 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.324 0.277 17482 6214 1 11 . 1 1 41 41 ALA H H 41 8.094 8.094 7.482 0.612 17482 6215 1 11 . 1 1 42 42 GLY N N 42 105.072 105.072 106.624 -1.552 17482 6216 1 11 . 1 1 42 42 GLY C C 42 174.941 174.941 176.069 -1.128 17482 6217 1 11 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.124 -0.097 17482 6218 1 11 . 1 1 42 42 GLY H H 42 8.044 8.044 8.120 -0.076 17482 6219 1 11 . 1 1 43 43 LYS N N 43 119.123 119.123 119.814 -0.691 17482 6220 1 11 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.182 0.159 17482 6221 1 11 . 1 1 43 43 LYS C C 43 176.631 176.631 176.728 -0.097 17482 6222 1 11 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.834 -0.037 17482 6223 1 11 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.659 0.737 17482 6224 1 11 . 1 1 43 43 LYS H H 43 7.834 7.834 8.121 -0.287 17482 6225 1 11 . 1 1 44 44 VAL N N 44 116.413 116.413 119.229 -2.816 17482 6226 1 11 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.180 -0.034 17482 6227 1 11 . 1 1 44 44 VAL C C 44 175.018 175.018 174.406 0.612 17482 6228 1 11 . 1 1 44 44 VAL CA C 44 62.331 62.331 60.752 1.579 17482 6229 1 11 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.778 -0.137 17482 6230 1 11 . 1 1 44 44 VAL H H 44 7.650 7.650 7.071 0.579 17482 6231 1 11 . 1 1 45 45 GLN N N 45 122.078 122.078 126.996 -4.918 17482 6232 1 11 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.746 -0.087 17482 6233 1 11 . 1 1 45 45 GLN CA C 45 53.664 53.664 53.132 0.532 17482 6234 1 11 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.366 0.963 17482 6235 1 11 . 1 1 45 45 GLN H H 45 8.154 8.154 8.563 -0.409 17482 6236 1 11 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.327 0.106 17482 6237 1 11 . 1 1 46 46 PRO C C 46 177.329 177.329 176.932 0.397 17482 6238 1 11 . 1 1 46 46 PRO CA C 46 63.754 63.754 64.012 -0.258 17482 6239 1 11 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.145 0.086 17482 6240 1 11 . 1 1 47 47 GLU N N 47 119.456 119.456 117.446 2.010 17482 6241 1 11 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.355 -0.144 17482 6242 1 11 . 1 1 47 47 GLU C C 47 176.484 176.484 175.206 1.278 17482 6243 1 11 . 1 1 47 47 GLU CA C 47 57.468 57.468 56.512 0.956 17482 6244 1 11 . 1 1 47 47 GLU CB C 47 30.329 30.329 30.211 0.118 17482 6245 1 11 . 1 1 47 47 GLU H H 47 8.491 8.491 8.544 -0.053 17482 6246 1 11 . 1 1 48 48 ASP N N 48 119.108 119.108 118.532 0.576 17482 6247 1 11 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.762 -0.177 17482 6248 1 11 . 1 1 48 48 ASP C C 48 175.863 175.863 175.315 0.548 17482 6249 1 11 . 1 1 48 48 ASP CA C 48 54.579 54.579 52.923 1.656 17482 6250 1 11 . 1 1 48 48 ASP CB C 48 41.131 41.131 41.853 -0.722 17482 6251 1 11 . 1 1 48 48 ASP H H 48 8.137 8.137 7.870 0.267 17482 6252 1 11 . 1 1 49 49 ASN N N 49 117.714 117.714 117.111 0.603 17482 6253 1 11 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.902 -0.237 17482 6254 1 11 . 1 1 49 49 ASN C C 49 174.975 174.975 175.018 -0.043 17482 6255 1 11 . 1 1 49 49 ASN CA C 49 53.728 53.728 52.515 1.213 17482 6256 1 11 . 1 1 49 49 ASN CB C 49 39.131 39.131 39.933 -0.802 17482 6257 1 11 . 1 1 49 49 ASN H H 49 8.173 8.173 8.457 -0.284 17482 6258 1 11 . 1 1 50 50 LYS N N 50 120.215 120.215 120.202 0.013 17482 6259 1 11 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.600 -0.292 17482 6260 1 11 . 1 1 50 50 LYS C C 50 176.950 176.950 175.012 1.938 17482 6261 1 11 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.412 0.416 17482 6262 1 11 . 1 1 50 50 LYS CB C 50 33.031 33.031 34.421 -1.390 17482 6263 1 11 . 1 1 50 50 LYS H H 50 8.098 8.098 8.341 -0.243 17482 6264 1 11 . 1 1 51 51 GLY N N 51 109.286 109.286 108.947 0.339 17482 6265 1 11 . 1 1 51 51 GLY C C 51 175.251 175.251 174.276 0.975 17482 6266 1 11 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.405 0.508 17482 6267 1 11 . 1 1 51 51 GLY H H 51 8.295 8.295 8.391 -0.096 17482 6268 1 11 . 1 1 52 52 VAL N N 52 119.528 119.528 125.687 -6.159 17482 6269 1 11 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.702 0.162 17482 6270 1 11 . 1 1 52 52 VAL C C 52 176.372 176.372 177.168 -0.796 17482 6271 1 11 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.006 0.340 17482 6272 1 11 . 1 1 52 52 VAL CB C 52 32.230 32.230 32.076 0.154 17482 6273 1 11 . 1 1 52 52 VAL H H 52 7.940 7.940 8.421 -0.481 17482 6274 1 11 . 1 1 53 53 PHE N N 53 118.265 118.265 119.610 -1.345 17482 6275 1 11 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.169 0.424 17482 6276 1 11 . 1 1 53 53 PHE C C 53 176.441 176.441 178.378 -1.937 17482 6277 1 11 . 1 1 53 53 PHE CA C 53 58.676 58.676 61.069 -2.393 17482 6278 1 11 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.375 0.260 17482 6279 1 11 . 1 1 53 53 PHE H H 53 8.046 8.046 8.267 -0.221 17482 6280 1 11 . 1 1 54 54 GLN N N 54 119.441 119.441 118.992 0.449 17482 6281 1 11 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.077 0.094 17482 6282 1 11 . 1 1 54 54 GLN C C 54 177.166 177.166 178.590 -1.424 17482 6283 1 11 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.031 -1.482 17482 6284 1 11 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.375 1.125 17482 6285 1 11 . 1 1 54 54 GLN H H 54 7.978 7.978 8.217 -0.239 17482 6286 1 11 . 1 1 55 55 GLY N N 55 107.822 107.822 107.128 0.694 17482 6287 1 11 . 1 1 55 55 GLY C C 55 175.294 175.294 176.033 -0.739 17482 6288 1 11 . 1 1 55 55 GLY CA C 55 46.188 46.188 47.306 -1.118 17482 6289 1 11 . 1 1 55 55 GLY H H 55 8.120 8.120 7.791 0.329 17482 6290 1 11 . 1 1 56 56 VAL N N 56 119.174 119.174 121.359 -2.185 17482 6291 1 11 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.605 0.367 17482 6292 1 11 . 1 1 56 56 VAL C C 56 176.527 176.527 177.578 -1.051 17482 6293 1 11 . 1 1 56 56 VAL CA C 56 64.004 64.004 66.314 -2.310 17482 6294 1 11 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.389 0.803 17482 6295 1 11 . 1 1 56 56 VAL H H 56 7.774 7.774 7.446 0.328 17482 6296 1 11 . 1 1 57 57 HIS N N 57 119.221 119.221 117.285 1.936 17482 6297 1 11 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.641 -0.099 17482 6298 1 11 . 1 1 57 57 HIS CA C 57 56.973 56.973 57.892 -0.920 17482 6299 1 11 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.426 -0.818 17482 6300 1 11 . 1 1 57 57 HIS H H 57 8.201 8.201 7.708 0.493 17482 6301 1 11 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.659 -0.079 17482 6302 1 11 . 1 1 58 58 ASP C C 58 177.097 177.097 178.143 -1.046 17482 6303 1 11 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.706 -1.685 17482 6304 1 11 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.824 0.412 17482 6305 1 11 . 1 1 59 59 SER N N 59 116.347 116.347 114.866 1.481 17482 6306 1 11 . 1 1 59 59 SER HA H 59 4.372 4.372 4.043 0.329 17482 6307 1 11 . 1 1 59 59 SER C C 59 175.087 175.087 175.147 -0.060 17482 6308 1 11 . 1 1 59 59 SER CA C 59 59.207 59.207 61.685 -2.478 17482 6309 1 11 . 1 1 59 59 SER CB C 59 63.780 63.780 63.278 0.502 17482 6310 1 11 . 1 1 59 59 SER H H 59 8.134 8.134 8.273 -0.139 17482 6311 1 11 . 1 1 60 60 ALA N N 60 125.097 125.097 121.132 3.965 17482 6312 1 11 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.189 0.064 17482 6313 1 11 . 1 1 60 60 ALA C C 60 178.192 178.192 178.835 -0.643 17482 6314 1 11 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.125 -0.564 17482 6315 1 11 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.970 0.108 17482 6316 1 11 . 1 1 60 60 ALA H H 60 8.203 8.203 8.239 -0.036 17482 6317 1 11 . 1 1 61 61 GLU N N 61 118.432 118.432 117.325 1.107 17482 6318 1 11 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.063 0.137 17482 6319 1 11 . 1 1 61 61 GLU C C 61 177.036 177.036 176.669 0.367 17482 6320 1 11 . 1 1 61 61 GLU CA C 61 57.224 57.224 58.472 -1.248 17482 6321 1 11 . 1 1 61 61 GLU CB C 61 30.228 30.228 30.453 -0.225 17482 6322 1 11 . 1 1 61 61 GLU H H 61 8.095 8.095 7.532 0.563 17482 6323 1 11 . 1 1 62 62 LYS N N 62 120.770 120.770 117.580 3.190 17482 6324 1 11 . 1 1 62 62 LYS HA H 62 4.297 4.297 3.937 0.360 17482 6325 1 11 . 1 1 62 62 LYS C C 62 177.450 177.450 174.981 2.469 17482 6326 1 11 . 1 1 62 62 LYS CA C 62 56.826 56.826 57.072 -0.246 17482 6327 1 11 . 1 1 62 62 LYS CB C 62 32.943 32.943 31.573 1.371 17482 6328 1 11 . 1 1 62 62 LYS H H 62 7.969 7.969 8.460 -0.491 17482 6329 1 11 . 1 1 63 63 GLY N N 63 108.912 108.912 112.044 -3.132 17482 6330 1 11 . 1 1 63 63 GLY C C 63 174.432 174.432 172.442 1.990 17482 6331 1 11 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.166 1.585 17482 6332 1 11 . 1 1 63 63 GLY H H 63 8.287 8.287 8.360 -0.073 17482 6333 1 11 . 1 1 64 64 LYS N N 64 120.529 120.529 120.743 -0.214 17482 6334 1 11 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.660 -0.362 17482 6335 1 11 . 1 1 64 64 LYS C C 64 176.622 176.622 174.114 2.508 17482 6336 1 11 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.463 0.268 17482 6337 1 11 . 1 1 64 64 LYS CB C 64 33.117 33.117 34.175 -1.058 17482 6338 1 11 . 1 1 64 64 LYS H H 64 8.019 8.019 8.018 0.001 17482 6339 1 11 . 1 1 65 65 ASP N N 65 120.673 120.673 121.295 -0.622 17482 6340 1 11 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.779 -0.199 17482 6341 1 11 . 1 1 65 65 ASP C C 65 176.226 176.226 174.478 1.748 17482 6342 1 11 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.805 0.978 17482 6343 1 11 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.069 -0.897 17482 6344 1 11 . 1 1 65 65 ASP H H 65 8.296 8.296 8.115 0.181 17482 6345 1 11 . 1 1 66 66 ASN N N 66 118.902 118.902 116.823 2.079 17482 6346 1 11 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.980 -0.290 17482 6347 1 11 . 1 1 66 66 ASN C C 66 175.217 175.217 173.978 1.239 17482 6348 1 11 . 1 1 66 66 ASN CA C 66 53.475 53.475 52.280 1.195 17482 6349 1 11 . 1 1 66 66 ASN CB C 66 39.117 39.117 40.565 -1.448 17482 6350 1 11 . 1 1 66 66 ASN H H 66 8.212 8.212 8.350 -0.138 17482 6351 1 11 . 1 1 67 67 ALA N N 67 124.149 124.149 121.276 2.873 17482 6352 1 11 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.233 0.067 17482 6353 1 11 . 1 1 67 67 ALA C C 67 177.890 177.890 177.081 0.809 17482 6354 1 11 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.201 0.852 17482 6355 1 11 . 1 1 67 67 ALA CB C 67 19.427 19.427 19.409 0.018 17482 6356 1 11 . 1 1 67 67 ALA H H 67 8.212 8.212 8.303 -0.091 17482 6357 1 11 . 1 1 68 68 GLU N N 68 119.216 119.216 120.172 -0.956 17482 6358 1 11 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.204 0.067 17482 6359 1 11 . 1 1 68 68 GLU C C 68 177.243 177.243 177.159 0.084 17482 6360 1 11 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.446 0.351 17482 6361 1 11 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.370 -0.211 17482 6362 1 11 . 1 1 68 68 GLU H H 68 8.286 8.286 8.337 -0.051 17482 6363 1 11 . 1 1 69 69 GLY N N 69 109.637 109.637 109.590 0.047 17482 6364 1 11 . 1 1 69 69 GLY C C 69 174.371 174.371 173.262 1.109 17482 6365 1 11 . 1 1 69 69 GLY CA C 69 45.634 45.634 44.897 0.737 17482 6366 1 11 . 1 1 69 69 GLY H H 69 8.293 8.293 8.540 -0.247 17482 6367 1 11 . 1 1 70 70 GLN N N 70 119.629 119.629 118.361 1.268 17482 6368 1 11 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.242 0.151 17482 6369 1 11 . 1 1 70 70 GLN C C 70 176.502 176.502 176.081 0.421 17482 6370 1 11 . 1 1 70 70 GLN CA C 70 56.046 56.046 56.398 -0.352 17482 6371 1 11 . 1 1 70 70 GLN CB C 70 29.627 29.627 29.106 0.521 17482 6372 1 11 . 1 1 70 70 GLN H H 70 8.201 8.201 8.719 -0.518 17482 6373 1 11 . 1 1 71 71 GLY N N 71 109.977 109.977 110.531 -0.554 17482 6374 1 11 . 1 1 71 71 GLY C C 71 173.992 173.992 174.824 -0.832 17482 6375 1 11 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.599 1.035 17482 6376 1 11 . 1 1 71 71 GLY H H 71 8.424 8.424 8.312 0.112 17482 6377 1 11 . 1 1 72 72 GLU N N 72 120.532 120.532 120.355 0.177 17482 6378 1 11 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.222 0.189 17482 6379 1 11 . 1 1 72 72 GLU C C 72 176.639 176.639 176.323 0.316 17482 6380 1 11 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.484 0.134 17482 6381 1 11 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.229 0.502 17482 6382 1 11 . 1 1 72 72 GLU H H 72 8.244 8.244 8.365 -0.121 17482 6383 1 11 . 1 1 73 73 SER N N 73 117.827 117.827 115.798 2.029 17482 6384 1 11 . 1 1 73 73 SER HA H 73 4.589 4.589 4.290 0.299 17482 6385 1 11 . 1 1 73 73 SER C C 73 175.475 175.475 175.502 -0.027 17482 6386 1 11 . 1 1 73 73 SER CA C 73 58.064 58.064 58.630 -0.566 17482 6387 1 11 . 1 1 73 73 SER CB C 73 64.761 64.761 62.747 2.014 17482 6388 1 11 . 1 1 73 73 SER H H 73 8.689 8.689 8.570 0.119 17482 6389 1 11 . 1 1 74 74 LEU N N 74 124.414 124.414 128.680 -4.266 17482 6390 1 11 . 1 1 74 74 LEU HA H 74 4.201 4.201 3.988 0.213 17482 6391 1 11 . 1 1 74 74 LEU C C 74 178.735 178.735 177.944 0.791 17482 6392 1 11 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.303 0.592 17482 6393 1 11 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.572 0.362 17482 6394 1 11 . 1 1 74 74 LEU H H 74 8.514 8.514 8.451 0.063 17482 6395 1 11 . 1 1 75 75 ALA N N 75 120.291 120.291 119.841 0.450 17482 6396 1 11 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.970 0.019 17482 6397 1 11 . 1 1 75 75 ALA C C 75 179.046 179.046 180.074 -1.028 17482 6398 1 11 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.969 0.298 17482 6399 1 11 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.678 0.916 17482 6400 1 11 . 1 1 75 75 ALA H H 75 8.160 8.160 8.273 -0.113 17482 6401 1 11 . 1 1 76 76 ASP N N 76 117.288 117.288 117.160 0.128 17482 6402 1 11 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.519 -0.113 17482 6403 1 11 . 1 1 76 76 ASP C C 76 178.476 178.476 178.664 -0.188 17482 6404 1 11 . 1 1 76 76 ASP CA C 76 57.133 57.133 57.032 0.101 17482 6405 1 11 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.233 -0.581 17482 6406 1 11 . 1 1 76 76 ASP H H 76 7.773 7.773 8.144 -0.371 17482 6407 1 11 . 1 1 77 77 GLN N N 77 119.454 119.454 118.871 0.583 17482 6408 1 11 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.184 -0.022 17482 6409 1 11 . 1 1 77 77 GLN C C 77 178.037 178.037 178.122 -0.085 17482 6410 1 11 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.149 0.232 17482 6411 1 11 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.913 0.567 17482 6412 1 11 . 1 1 77 77 GLN H H 77 7.994 7.994 7.609 0.385 17482 6413 1 11 . 1 1 78 78 ALA N N 78 121.577 121.577 123.256 -1.679 17482 6414 1 11 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.161 -0.012 17482 6415 1 11 . 1 1 78 78 ALA C C 78 178.977 178.977 179.551 -0.574 17482 6416 1 11 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.321 -0.190 17482 6417 1 11 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.257 0.398 17482 6418 1 11 . 1 1 78 78 ALA H H 78 8.498 8.498 8.634 -0.136 17482 6419 1 11 . 1 1 79 79 ARG N N 79 117.138 117.138 118.543 -1.405 17482 6420 1 11 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.049 -0.037 17482 6421 1 11 . 1 1 79 79 ARG C C 79 175.449 175.449 178.771 -3.322 17482 6422 1 11 . 1 1 79 79 ARG CA C 79 59.503 59.503 58.960 0.543 17482 6423 1 11 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.673 0.473 17482 6424 1 11 . 1 1 79 79 ARG H H 79 8.101 8.101 7.737 0.364 17482 6425 1 11 . 1 1 80 80 ASP N N 80 120.784 120.784 119.640 1.144 17482 6426 1 11 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.510 0.003 17482 6427 1 11 . 1 1 80 80 ASP C C 80 178.882 178.882 178.472 0.410 17482 6428 1 11 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.245 -0.369 17482 6429 1 11 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.109 -0.781 17482 6430 1 11 . 1 1 80 80 ASP H H 80 8.000 8.000 7.632 0.368 17482 6431 1 11 . 1 1 81 81 TYR N N 81 120.298 120.298 121.660 -1.362 17482 6432 1 11 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.294 0.137 17482 6433 1 11 . 1 1 81 81 TYR C C 81 177.855 177.855 177.837 0.018 17482 6434 1 11 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.352 0.482 17482 6435 1 11 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.636 -0.158 17482 6436 1 11 . 1 1 81 81 TYR H H 81 8.127 8.127 7.625 0.502 17482 6437 1 11 . 1 1 82 82 MET N N 82 118.452 118.452 117.748 0.704 17482 6438 1 11 . 1 1 82 82 MET HA H 82 4.239 4.239 3.920 0.319 17482 6439 1 11 . 1 1 82 82 MET C C 82 178.175 178.175 178.782 -0.607 17482 6440 1 11 . 1 1 82 82 MET CA C 82 58.757 58.757 58.403 0.354 17482 6441 1 11 . 1 1 82 82 MET CB C 82 32.631 32.631 31.960 0.671 17482 6442 1 11 . 1 1 82 82 MET H H 82 8.382 8.382 8.840 -0.458 17482 6443 1 11 . 1 1 83 83 GLY N N 83 106.740 106.740 105.450 1.290 17482 6444 1 11 . 1 1 83 83 GLY C C 83 176.717 176.717 175.229 1.488 17482 6445 1 11 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.197 0.134 17482 6446 1 11 . 1 1 83 83 GLY H H 83 8.308 8.308 7.983 0.325 17482 6447 1 11 . 1 1 84 84 ALA N N 84 125.357 125.357 124.033 1.324 17482 6448 1 11 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.189 0.098 17482 6449 1 11 . 1 1 84 84 ALA C C 84 180.149 180.149 179.262 0.887 17482 6450 1 11 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.602 0.046 17482 6451 1 11 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.276 0.265 17482 6452 1 11 . 1 1 84 84 ALA H H 84 7.905 7.905 7.435 0.470 17482 6453 1 11 . 1 1 85 85 ALA N N 85 121.332 121.332 120.698 0.634 17482 6454 1 11 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.957 0.068 17482 6455 1 11 . 1 1 85 85 ALA C C 85 178.847 178.847 179.693 -0.846 17482 6456 1 11 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.920 0.363 17482 6457 1 11 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.013 0.474 17482 6458 1 11 . 1 1 85 85 ALA H H 85 8.341 8.341 7.605 0.736 17482 6459 1 11 . 1 1 86 86 LYS N N 86 116.980 116.980 119.173 -2.193 17482 6460 1 11 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.883 -0.011 17482 6461 1 11 . 1 1 86 86 LYS C C 86 178.485 178.485 178.801 -0.316 17482 6462 1 11 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.844 0.349 17482 6463 1 11 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.063 0.268 17482 6464 1 11 . 1 1 86 86 LYS H H 86 8.360 8.360 7.615 0.745 17482 6465 1 11 . 1 1 87 87 SER N N 87 113.632 113.632 114.587 -0.955 17482 6466 1 11 . 1 1 87 87 SER HA H 87 4.299 4.299 4.164 0.135 17482 6467 1 11 . 1 1 87 87 SER C C 87 176.467 176.467 176.600 -0.133 17482 6468 1 11 . 1 1 87 87 SER CA C 87 61.614 61.614 61.391 0.223 17482 6469 1 11 . 1 1 87 87 SER CB C 87 63.064 63.064 62.848 0.216 17482 6470 1 11 . 1 1 87 87 SER H H 87 7.863 7.863 7.676 0.187 17482 6471 1 11 . 1 1 88 88 LYS N N 88 120.925 120.925 121.243 -0.318 17482 6472 1 11 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.033 0.312 17482 6473 1 11 . 1 1 88 88 LYS C C 88 178.502 178.502 178.998 -0.496 17482 6474 1 11 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.499 -0.803 17482 6475 1 11 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.172 -0.161 17482 6476 1 11 . 1 1 88 88 LYS H H 88 7.843 7.843 7.687 0.156 17482 6477 1 11 . 1 1 89 89 LEU N N 89 119.955 119.955 120.927 -0.972 17482 6478 1 11 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.910 0.195 17482 6479 1 11 . 1 1 89 89 LEU C C 89 178.209 178.209 178.452 -0.243 17482 6480 1 11 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.009 0.188 17482 6481 1 11 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.617 0.014 17482 6482 1 11 . 1 1 89 89 LEU H H 89 8.174 8.174 8.419 -0.245 17482 6483 1 11 . 1 1 90 90 ASN N N 90 117.013 117.013 116.396 0.617 17482 6484 1 11 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.371 0.022 17482 6485 1 11 . 1 1 90 90 ASN C C 90 174.164 174.164 177.533 -3.369 17482 6486 1 11 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.788 0.378 17482 6487 1 11 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.239 0.714 17482 6488 1 11 . 1 1 90 90 ASN H H 90 8.223 8.223 8.247 -0.024 17482 6489 1 11 . 1 1 91 91 ASP N N 91 119.959 119.959 118.707 1.252 17482 6490 1 11 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.472 -0.015 17482 6491 1 11 . 1 1 91 91 ASP C C 91 178.804 178.804 177.718 1.086 17482 6492 1 11 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.140 0.298 17482 6493 1 11 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.661 -0.482 17482 6494 1 11 . 1 1 91 91 ASP H H 91 8.043 8.043 7.502 0.541 17482 6495 1 11 . 1 1 92 92 ALA N N 92 123.900 123.900 122.418 1.482 17482 6496 1 11 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.252 -0.049 17482 6497 1 11 . 1 1 92 92 ALA C C 92 178.951 178.951 179.586 -0.635 17482 6498 1 11 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.998 0.539 17482 6499 1 11 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.708 -0.204 17482 6500 1 11 . 1 1 92 92 ALA H H 92 8.256 8.256 7.580 0.676 17482 6501 1 11 . 1 1 93 93 VAL N N 93 118.228 118.228 119.877 -1.649 17482 6502 1 11 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.499 0.095 17482 6503 1 11 . 1 1 93 93 VAL C C 93 178.761 178.761 177.996 0.765 17482 6504 1 11 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.694 -0.537 17482 6505 1 11 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.142 0.653 17482 6506 1 11 . 1 1 93 93 VAL H H 93 8.449 8.449 8.603 -0.154 17482 6507 1 11 . 1 1 94 94 GLU N N 94 120.485 120.485 119.340 1.145 17482 6508 1 11 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.940 0.105 17482 6509 1 11 . 1 1 94 94 GLU C C 94 179.347 179.347 179.333 0.014 17482 6510 1 11 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.039 -0.408 17482 6511 1 11 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.614 -0.083 17482 6512 1 11 . 1 1 94 94 GLU H H 94 8.175 8.175 7.870 0.305 17482 6513 1 11 . 1 1 95 95 TYR N N 95 120.806 120.806 119.814 0.992 17482 6514 1 11 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.302 -0.074 17482 6515 1 11 . 1 1 95 95 TYR C C 95 178.407 178.407 177.630 0.777 17482 6516 1 11 . 1 1 95 95 TYR CA C 95 61.561 61.561 60.942 0.619 17482 6517 1 11 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.669 -0.038 17482 6518 1 11 . 1 1 95 95 TYR H H 95 8.197 8.197 7.369 0.828 17482 6519 1 11 . 1 1 96 96 VAL N N 96 118.584 118.584 119.594 -1.010 17482 6520 1 11 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.536 -0.053 17482 6521 1 11 . 1 1 96 96 VAL C C 96 177.752 177.752 177.936 -0.184 17482 6522 1 11 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.174 -0.494 17482 6523 1 11 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.536 0.486 17482 6524 1 11 . 1 1 96 96 VAL H H 96 8.525 8.525 8.585 -0.060 17482 6525 1 11 . 1 1 97 97 SER N N 97 114.566 114.566 114.644 -0.078 17482 6526 1 11 . 1 1 97 97 SER HA H 97 4.080 4.080 4.122 -0.042 17482 6527 1 11 . 1 1 97 97 SER C C 97 176.803 176.803 176.802 0.001 17482 6528 1 11 . 1 1 97 97 SER CA C 97 61.800 61.800 61.703 0.097 17482 6529 1 11 . 1 1 97 97 SER CB C 97 63.258 63.258 62.963 0.295 17482 6530 1 11 . 1 1 97 97 SER H H 97 8.642 8.642 8.784 -0.142 17482 6531 1 11 . 1 1 98 98 GLY N N 98 107.586 107.586 106.573 1.013 17482 6532 1 11 . 1 1 98 98 GLY C C 98 175.553 175.553 174.925 0.628 17482 6533 1 11 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.710 0.846 17482 6534 1 11 . 1 1 98 98 GLY H H 98 7.926 7.926 7.590 0.336 17482 6535 1 11 . 1 1 99 99 ARG N N 99 119.948 119.948 120.372 -0.424 17482 6536 1 11 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.304 -0.101 17482 6537 1 11 . 1 1 99 99 ARG C C 99 177.830 177.830 178.762 -0.932 17482 6538 1 11 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.734 -0.605 17482 6539 1 11 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.912 -0.700 17482 6540 1 11 . 1 1 99 99 ARG H H 99 7.611 7.611 7.409 0.202 17482 6541 1 11 . 1 1 100 100 VAL N N 100 116.709 116.709 120.329 -3.620 17482 6542 1 11 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.567 0.373 17482 6543 1 11 . 1 1 100 100 VAL C C 100 176.381 176.381 177.469 -1.088 17482 6544 1 11 . 1 1 100 100 VAL CA C 100 63.931 63.931 66.625 -2.694 17482 6545 1 11 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.336 0.995 17482 6546 1 11 . 1 1 100 100 VAL H H 100 7.906 7.906 8.662 -0.756 17482 6547 1 11 . 1 1 101 101 HIS N N 101 117.584 117.584 119.095 -1.511 17482 6548 1 11 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.499 0.276 17482 6549 1 11 . 1 1 101 101 HIS C C 101 175.484 175.484 176.233 -0.749 17482 6550 1 11 . 1 1 101 101 HIS CA C 101 55.862 55.862 58.514 -2.651 17482 6551 1 11 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.783 -0.266 17482 6552 1 11 . 1 1 101 101 HIS H H 101 8.061 8.061 7.799 0.262 17482 6553 1 11 . 1 1 102 102 GLY N N 102 109.164 109.164 105.348 3.816 17482 6554 1 11 . 1 1 102 102 GLY C C 102 174.121 174.121 173.558 0.563 17482 6555 1 11 . 1 1 102 102 GLY CA C 102 45.719 45.719 44.765 0.954 17482 6556 1 11 . 1 1 102 102 GLY H H 102 7.990 7.990 8.130 -0.140 17482 6557 1 11 . 1 1 103 103 GLU N N 103 120.493 120.493 120.133 0.360 17482 6558 1 11 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.473 -0.158 17482 6559 1 11 . 1 1 103 103 GLU C C 103 176.467 176.467 176.724 -0.257 17482 6560 1 11 . 1 1 103 103 GLU CA C 103 56.451 56.451 57.011 -0.560 17482 6561 1 11 . 1 1 103 103 GLU CB C 103 30.731 30.731 31.823 -1.092 17482 6562 1 11 . 1 1 103 103 GLU H H 103 8.320 8.320 7.909 0.411 17482 6563 1 11 . 1 1 104 104 GLU N N 104 122.018 122.018 117.954 4.064 17482 6564 1 11 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.361 -0.098 17482 6565 1 11 . 1 1 104 104 GLU C C 104 175.820 175.820 175.578 0.242 17482 6566 1 11 . 1 1 104 104 GLU CA C 104 56.480 56.480 56.758 -0.278 17482 6567 1 11 . 1 1 104 104 GLU CB C 104 30.654 30.654 32.101 -1.447 17482 6568 1 11 . 1 1 104 104 GLU H H 104 8.358 8.358 7.811 0.547 17482 6569 1 11 . 1 1 105 105 ASP N N 105 122.625 122.625 119.610 3.015 17482 6570 1 11 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.472 0.426 17482 6571 1 11 . 1 1 105 105 ASP CA C 105 51.728 51.728 54.648 -2.920 17482 6572 1 11 . 1 1 105 105 ASP CB C 105 41.614 41.614 40.495 1.119 17482 6573 1 11 . 1 1 105 105 ASP H H 105 8.350 8.350 8.005 0.345 17482 6574 1 11 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.388 0.078 17482 6575 1 11 . 1 1 106 106 PRO C C 106 177.605 177.605 177.014 0.591 17482 6576 1 11 . 1 1 106 106 PRO CA C 106 63.921 63.921 64.566 -0.645 17482 6577 1 11 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.108 0.188 17482 6578 1 11 . 1 1 107 107 THR N N 107 111.954 111.954 108.334 3.620 17482 6579 1 11 . 1 1 107 107 THR HA H 107 4.281 4.281 4.029 0.252 17482 6580 1 11 . 1 1 107 107 THR C C 107 174.889 174.889 174.202 0.687 17482 6581 1 11 . 1 1 107 107 THR CA C 107 62.896 62.896 63.255 -0.359 17482 6582 1 11 . 1 1 107 107 THR CB C 107 69.593 69.593 67.638 1.955 17482 6583 1 11 . 1 1 107 107 THR H H 107 8.355 8.355 7.880 0.475 17482 6584 1 11 . 1 1 108 108 LYS N N 108 123.177 123.177 120.174 3.003 17482 6585 1 11 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.409 -0.054 17482 6586 1 11 . 1 1 108 108 LYS C C 108 175.406 175.406 176.240 -0.834 17482 6587 1 11 . 1 1 108 108 LYS CA C 108 56.252 56.252 57.454 -1.202 17482 6588 1 11 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.486 -0.522 17482 6589 1 11 . 1 1 108 108 LYS H H 108 7.739 7.739 8.199 -0.460 17482 6590 1 12 . 1 1 2 2 SER HA H 2 4.546 4.546 4.506 0.040 17482 6591 1 12 . 1 1 2 2 SER CA C 2 58.499 58.499 58.134 0.365 17482 6592 1 12 . 1 1 2 2 SER CB C 2 64.011 64.011 64.027 -0.016 17482 6593 1 12 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.654 -0.052 17482 6594 1 12 . 1 1 3 3 ASP C C 3 176.010 176.010 173.729 2.281 17482 6595 1 12 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.823 0.913 17482 6596 1 12 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.062 0.207 17482 6597 1 12 . 1 1 4 4 ALA N N 4 123.253 123.253 121.991 1.262 17482 6598 1 12 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.359 -0.033 17482 6599 1 12 . 1 1 4 4 ALA C C 4 178.097 178.097 176.687 1.410 17482 6600 1 12 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.302 0.545 17482 6601 1 12 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.351 -1.028 17482 6602 1 12 . 1 1 4 4 ALA H H 4 8.095 8.095 8.091 0.004 17482 6603 1 12 . 1 1 5 5 GLY N N 5 107.651 107.651 108.717 -1.066 17482 6604 1 12 . 1 1 5 5 GLY C C 5 174.828 174.828 173.369 1.459 17482 6605 1 12 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.578 0.871 17482 6606 1 12 . 1 1 5 5 GLY H H 5 8.167 8.167 8.181 -0.014 17482 6607 1 12 . 1 1 6 6 ARG N N 6 120.230 120.230 121.097 -0.867 17482 6608 1 12 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.267 0.082 17482 6609 1 12 . 1 1 6 6 ARG C C 6 176.562 176.562 175.977 0.585 17482 6610 1 12 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.930 -0.531 17482 6611 1 12 . 1 1 6 6 ARG CB C 6 30.831 30.831 30.743 0.088 17482 6612 1 12 . 1 1 6 6 ARG H H 6 8.060 8.060 8.389 -0.329 17482 6613 1 12 . 1 1 7 7 LYS N N 7 121.076 121.076 123.162 -2.086 17482 6614 1 12 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.392 -0.135 17482 6615 1 12 . 1 1 7 7 LYS C C 7 177.010 177.010 177.874 -0.864 17482 6616 1 12 . 1 1 7 7 LYS CA C 7 56.920 56.920 55.857 1.063 17482 6617 1 12 . 1 1 7 7 LYS CB C 7 32.831 32.831 33.813 -0.982 17482 6618 1 12 . 1 1 7 7 LYS H H 7 8.181 8.181 8.122 0.059 17482 6619 1 12 . 1 1 8 8 GLY N N 8 108.196 108.196 108.988 -0.792 17482 6620 1 12 . 1 1 8 8 GLY C C 8 174.828 174.828 175.785 -0.957 17482 6621 1 12 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.767 -0.938 17482 6622 1 12 . 1 1 8 8 GLY H H 8 8.141 8.141 8.738 -0.597 17482 6623 1 12 . 1 1 9 9 PHE N N 9 120.374 120.374 122.283 -1.909 17482 6624 1 12 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.272 0.120 17482 6625 1 12 . 1 1 9 9 PHE C C 9 176.898 176.898 177.144 -0.246 17482 6626 1 12 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.778 1.202 17482 6627 1 12 . 1 1 9 9 PHE CB C 9 39.553 39.553 38.916 0.637 17482 6628 1 12 . 1 1 9 9 PHE H H 9 8.072 8.072 8.256 -0.184 17482 6629 1 12 . 1 1 10 10 GLY N N 10 107.944 107.944 107.495 0.449 17482 6630 1 12 . 1 1 10 10 GLY C C 10 175.441 175.441 175.726 -0.285 17482 6631 1 12 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.539 -0.718 17482 6632 1 12 . 1 1 10 10 GLY H H 10 8.431 8.431 8.187 0.244 17482 6633 1 12 . 1 1 11 11 GLU N N 11 121.098 121.098 122.160 -1.062 17482 6634 1 12 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.981 0.119 17482 6635 1 12 . 1 1 11 11 GLU C C 11 175.234 175.234 179.177 -3.943 17482 6636 1 12 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.777 -0.806 17482 6637 1 12 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.422 0.475 17482 6638 1 12 . 1 1 11 11 GLU H H 11 8.003 8.003 8.000 0.003 17482 6639 1 12 . 1 1 12 12 LYS N N 12 119.103 119.103 118.402 0.701 17482 6640 1 12 . 1 1 12 12 LYS HA H 12 4.144 4.144 3.939 0.205 17482 6641 1 12 . 1 1 12 12 LYS C C 12 178.520 178.520 178.826 -0.306 17482 6642 1 12 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.997 -0.660 17482 6643 1 12 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.085 0.309 17482 6644 1 12 . 1 1 12 12 LYS H H 12 7.930 7.930 7.311 0.619 17482 6645 1 12 . 1 1 13 13 ALA N N 13 121.534 121.534 122.255 -0.721 17482 6646 1 12 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.889 0.122 17482 6647 1 12 . 1 1 13 13 ALA C C 13 178.364 178.364 179.957 -1.593 17482 6648 1 12 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.009 -0.281 17482 6649 1 12 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.959 0.501 17482 6650 1 12 . 1 1 13 13 ALA H H 13 8.216 8.216 8.336 -0.120 17482 6651 1 12 . 1 1 14 14 SER N N 14 111.263 111.263 112.619 -1.356 17482 6652 1 12 . 1 1 14 14 SER HA H 14 4.114 4.114 4.124 -0.010 17482 6653 1 12 . 1 1 14 14 SER C C 14 176.148 176.148 176.900 -0.752 17482 6654 1 12 . 1 1 14 14 SER CA C 14 61.159 61.159 62.192 -1.033 17482 6655 1 12 . 1 1 14 14 SER CB C 14 63.250 63.250 63.104 0.146 17482 6656 1 12 . 1 1 14 14 SER H H 14 8.000 8.000 8.127 -0.127 17482 6657 1 12 . 1 1 15 15 GLU N N 15 119.902 119.902 120.461 -0.559 17482 6658 1 12 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.102 0.064 17482 6659 1 12 . 1 1 15 15 GLU C C 15 177.493 177.493 177.639 -0.146 17482 6660 1 12 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.197 -0.184 17482 6661 1 12 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.669 0.272 17482 6662 1 12 . 1 1 15 15 GLU H H 15 7.724 7.724 7.428 0.296 17482 6663 1 12 . 1 1 16 16 ALA N N 16 120.687 120.687 120.893 -0.206 17482 6664 1 12 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.138 0.123 17482 6665 1 12 . 1 1 16 16 ALA C C 16 177.933 177.933 179.070 -1.137 17482 6666 1 12 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.450 -0.675 17482 6667 1 12 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.186 0.358 17482 6668 1 12 . 1 1 16 16 ALA H H 16 7.726 7.726 8.057 -0.331 17482 6669 1 12 . 1 1 17 17 LEU N N 17 116.559 116.559 113.265 3.294 17482 6670 1 12 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.503 -0.144 17482 6671 1 12 . 1 1 17 17 LEU C C 17 176.277 176.277 176.741 -0.464 17482 6672 1 12 . 1 1 17 17 LEU CA C 17 54.934 54.934 55.133 -0.199 17482 6673 1 12 . 1 1 17 17 LEU CB C 17 42.564 42.564 42.490 0.074 17482 6674 1 12 . 1 1 17 17 LEU H H 17 7.634 7.634 7.337 0.297 17482 6675 1 12 . 1 1 18 18 LYS N N 18 120.269 120.269 121.159 -0.890 17482 6676 1 12 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.146 0.421 17482 6677 1 12 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.971 -1.482 17482 6678 1 12 . 1 1 18 18 LYS CB C 18 32.520 32.520 31.491 1.029 17482 6679 1 12 . 1 1 18 18 LYS H H 18 7.761 7.761 7.605 0.156 17482 6680 1 12 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.284 0.159 17482 6681 1 12 . 1 1 19 19 PRO C C 19 176.984 176.984 176.042 0.942 17482 6682 1 12 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.312 0.521 17482 6683 1 12 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.401 -0.154 17482 6684 1 12 . 1 1 20 20 ASP N N 20 119.103 119.103 117.114 1.989 17482 6685 1 12 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.767 -0.165 17482 6686 1 12 . 1 1 20 20 ASP C C 20 176.639 176.639 175.300 1.339 17482 6687 1 12 . 1 1 20 20 ASP CA C 20 54.497 54.497 53.564 0.933 17482 6688 1 12 . 1 1 20 20 ASP CB C 20 41.231 41.231 42.612 -1.381 17482 6689 1 12 . 1 1 20 20 ASP H H 20 8.383 8.383 8.052 0.331 17482 6690 1 12 . 1 1 21 21 SER N N 21 115.970 115.970 113.852 2.118 17482 6691 1 12 . 1 1 21 21 SER HA H 21 4.376 4.376 4.379 -0.003 17482 6692 1 12 . 1 1 21 21 SER C C 21 174.889 174.889 175.026 -0.137 17482 6693 1 12 . 1 1 21 21 SER CA C 21 59.093 59.093 59.078 0.014 17482 6694 1 12 . 1 1 21 21 SER CB C 21 63.860 63.860 63.460 0.400 17482 6695 1 12 . 1 1 21 21 SER H H 21 8.054 8.054 8.310 -0.256 17482 6696 1 12 . 1 1 22 22 GLN N N 22 120.766 120.766 121.853 -1.087 17482 6697 1 12 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.247 0.031 17482 6698 1 12 . 1 1 22 22 GLN C C 22 175.984 175.984 174.921 1.063 17482 6699 1 12 . 1 1 22 22 GLN CA C 22 56.739 56.739 57.064 -0.325 17482 6700 1 12 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.406 -0.215 17482 6701 1 12 . 1 1 22 22 GLN H H 22 8.452 8.452 8.111 0.341 17482 6702 1 12 . 1 1 23 23 LYS N N 23 120.410 120.410 122.240 -1.830 17482 6703 1 12 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.518 -0.181 17482 6704 1 12 . 1 1 23 23 LYS C C 23 176.191 176.191 175.027 1.164 17482 6705 1 12 . 1 1 23 23 LYS CA C 23 56.208 56.208 55.751 0.457 17482 6706 1 12 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.289 1.446 17482 6707 1 12 . 1 1 23 23 LYS H H 23 7.935 7.935 8.712 -0.777 17482 6708 1 12 . 1 1 24 24 SER N N 24 117.302 117.302 117.047 0.255 17482 6709 1 12 . 1 1 24 24 SER HA H 24 4.492 4.492 4.686 -0.194 17482 6710 1 12 . 1 1 24 24 SER C C 24 175.717 175.717 174.514 1.203 17482 6711 1 12 . 1 1 24 24 SER CA C 24 58.145 58.145 57.061 1.084 17482 6712 1 12 . 1 1 24 24 SER CB C 24 63.815 63.815 64.542 -0.727 17482 6713 1 12 . 1 1 24 24 SER H H 24 8.365 8.365 7.867 0.498 17482 6714 1 12 . 1 1 25 25 TYR N N 25 121.904 121.904 123.239 -1.335 17482 6715 1 12 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.163 0.219 17482 6716 1 12 . 1 1 25 25 TYR C C 25 177.752 177.752 177.030 0.722 17482 6717 1 12 . 1 1 25 25 TYR CA C 25 60.945 60.945 62.916 -1.971 17482 6718 1 12 . 1 1 25 25 TYR CB C 25 37.821 37.821 38.405 -0.584 17482 6719 1 12 . 1 1 25 25 TYR H H 25 8.205 8.205 9.012 -0.807 17482 6720 1 12 . 1 1 26 26 ALA N N 26 121.123 121.123 121.643 -0.520 17482 6721 1 12 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.968 0.089 17482 6722 1 12 . 1 1 26 26 ALA C C 26 179.037 179.037 180.082 -1.045 17482 6723 1 12 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.111 0.426 17482 6724 1 12 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.209 0.265 17482 6725 1 12 . 1 1 26 26 ALA H H 26 8.233 8.233 8.308 -0.075 17482 6726 1 12 . 1 1 27 27 GLU N N 27 117.313 117.313 118.037 -0.724 17482 6727 1 12 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.045 -0.028 17482 6728 1 12 . 1 1 27 27 GLU C C 27 179.166 179.166 179.169 -0.003 17482 6729 1 12 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.627 -0.149 17482 6730 1 12 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.650 0.216 17482 6731 1 12 . 1 1 27 27 GLU H H 27 7.922 7.922 7.943 -0.021 17482 6732 1 12 . 1 1 28 28 GLN N N 28 118.602 118.602 119.427 -0.825 17482 6733 1 12 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.900 0.288 17482 6734 1 12 . 1 1 28 28 GLN C C 28 179.132 179.132 178.781 0.351 17482 6735 1 12 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.838 0.007 17482 6736 1 12 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.440 0.942 17482 6737 1 12 . 1 1 28 28 GLN H H 28 8.179 8.179 7.821 0.358 17482 6738 1 12 . 1 1 29 29 GLY N N 29 107.984 107.984 106.988 0.996 17482 6739 1 12 . 1 1 29 29 GLY C C 29 174.518 174.518 175.726 -1.208 17482 6740 1 12 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.748 0.837 17482 6741 1 12 . 1 1 29 29 GLY H H 29 8.804 8.804 8.534 0.270 17482 6742 1 12 . 1 1 30 30 LYS N N 30 121.339 121.339 122.355 -1.016 17482 6743 1 12 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.888 0.073 17482 6744 1 12 . 1 1 30 30 LYS C C 30 178.925 178.925 178.738 0.187 17482 6745 1 12 . 1 1 30 30 LYS CA C 30 60.400 60.400 59.996 0.404 17482 6746 1 12 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.338 0.089 17482 6747 1 12 . 1 1 30 30 LYS H H 30 8.406 8.406 7.428 0.978 17482 6748 1 12 . 1 1 31 31 GLU N N 31 119.880 119.880 119.265 0.615 17482 6749 1 12 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.118 -0.078 17482 6750 1 12 . 1 1 31 31 GLU C C 31 177.761 177.761 178.824 -1.063 17482 6751 1 12 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.438 1.093 17482 6752 1 12 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.172 0.359 17482 6753 1 12 . 1 1 31 31 GLU H H 31 8.090 8.090 8.171 -0.081 17482 6754 1 12 . 1 1 32 32 TYR N N 32 119.786 119.786 120.577 -0.791 17482 6755 1 12 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.207 0.064 17482 6756 1 12 . 1 1 32 32 TYR C C 32 178.054 178.054 177.614 0.440 17482 6757 1 12 . 1 1 32 32 TYR CA C 32 61.720 61.720 62.016 -0.296 17482 6758 1 12 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.719 0.212 17482 6759 1 12 . 1 1 32 32 TYR H H 32 8.052 8.052 7.694 0.358 17482 6760 1 12 . 1 1 33 33 ILE N N 33 116.856 116.856 118.164 -1.308 17482 6761 1 12 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.656 0.136 17482 6762 1 12 . 1 1 33 33 ILE C C 33 177.519 177.519 178.045 -0.526 17482 6763 1 12 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.176 -1.157 17482 6764 1 12 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.692 0.419 17482 6765 1 12 . 1 1 33 33 ILE H H 33 8.249 8.249 8.361 -0.112 17482 6766 1 12 . 1 1 34 34 THR N N 34 114.203 114.203 114.344 -0.141 17482 6767 1 12 . 1 1 34 34 THR HA H 34 3.934 3.934 3.826 0.108 17482 6768 1 12 . 1 1 34 34 THR C C 34 176.579 176.579 176.739 -0.160 17482 6769 1 12 . 1 1 34 34 THR CA C 34 66.459 66.459 66.605 -0.146 17482 6770 1 12 . 1 1 34 34 THR CB C 34 68.845 68.845 67.995 0.850 17482 6771 1 12 . 1 1 34 34 THR H H 34 8.254 8.254 8.135 0.119 17482 6772 1 12 . 1 1 35 35 ASP N N 35 121.116 121.116 121.023 0.093 17482 6773 1 12 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.378 0.118 17482 6774 1 12 . 1 1 35 35 ASP C C 35 177.933 177.933 178.500 -0.567 17482 6775 1 12 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.183 -0.121 17482 6776 1 12 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.567 1.261 17482 6777 1 12 . 1 1 35 35 ASP H H 35 7.880 7.880 7.986 -0.106 17482 6778 1 12 . 1 1 36 36 LYS N N 36 116.457 116.457 119.088 -2.631 17482 6779 1 12 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.026 0.131 17482 6780 1 12 . 1 1 36 36 LYS C C 36 177.968 177.968 178.809 -0.841 17482 6781 1 12 . 1 1 36 36 LYS CA C 36 56.871 56.871 59.052 -2.181 17482 6782 1 12 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.218 -0.304 17482 6783 1 12 . 1 1 36 36 LYS H H 36 7.677 7.677 7.590 0.087 17482 6784 1 12 . 1 1 37 37 ALA N N 37 121.588 121.588 121.749 -0.161 17482 6785 1 12 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.129 -0.124 17482 6786 1 12 . 1 1 37 37 ALA C C 37 178.795 178.795 179.980 -1.185 17482 6787 1 12 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.931 0.400 17482 6788 1 12 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.192 0.283 17482 6789 1 12 . 1 1 37 37 ALA H H 37 8.296 8.296 8.262 0.034 17482 6790 1 12 . 1 1 38 38 ASP N N 38 116.490 116.490 118.966 -2.476 17482 6791 1 12 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.515 -0.106 17482 6792 1 12 . 1 1 38 38 ASP C C 38 178.347 178.347 178.520 -0.173 17482 6793 1 12 . 1 1 38 38 ASP CA C 38 56.729 56.729 56.970 -0.241 17482 6794 1 12 . 1 1 38 38 ASP CB C 38 41.048 41.048 40.992 0.056 17482 6795 1 12 . 1 1 38 38 ASP H H 38 8.046 8.046 8.122 -0.076 17482 6796 1 12 . 1 1 39 39 LYS N N 39 118.627 118.627 120.720 -2.093 17482 6797 1 12 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.032 0.116 17482 6798 1 12 . 1 1 39 39 LYS C C 39 178.588 178.588 178.699 -0.111 17482 6799 1 12 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.837 -1.611 17482 6800 1 12 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.510 0.147 17482 6801 1 12 . 1 1 39 39 LYS H H 39 7.757 7.757 7.838 -0.081 17482 6802 1 12 . 1 1 40 40 VAL N N 40 116.146 116.146 118.724 -2.578 17482 6803 1 12 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.740 0.169 17482 6804 1 12 . 1 1 40 40 VAL C C 40 176.683 176.683 176.692 -0.009 17482 6805 1 12 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.580 -1.172 17482 6806 1 12 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.746 0.588 17482 6807 1 12 . 1 1 40 40 VAL H H 40 7.792 7.792 7.976 -0.184 17482 6808 1 12 . 1 1 41 41 ALA N N 41 122.561 122.561 120.691 1.870 17482 6809 1 12 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.256 -0.133 17482 6810 1 12 . 1 1 41 41 ALA C C 41 179.106 179.106 180.129 -1.023 17482 6811 1 12 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.419 0.110 17482 6812 1 12 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.861 -0.260 17482 6813 1 12 . 1 1 41 41 ALA H H 41 8.094 8.094 7.454 0.640 17482 6814 1 12 . 1 1 42 42 GLY N N 42 105.072 105.072 107.012 -1.940 17482 6815 1 12 . 1 1 42 42 GLY C C 42 174.941 174.941 175.904 -0.963 17482 6816 1 12 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.714 -0.687 17482 6817 1 12 . 1 1 42 42 GLY H H 42 8.044 8.044 8.334 -0.290 17482 6818 1 12 . 1 1 43 43 LYS N N 43 119.123 119.123 118.825 0.298 17482 6819 1 12 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.158 0.183 17482 6820 1 12 . 1 1 43 43 LYS C C 43 176.631 176.631 176.796 -0.165 17482 6821 1 12 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.491 0.306 17482 6822 1 12 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.352 1.044 17482 6823 1 12 . 1 1 43 43 LYS H H 43 7.834 7.834 8.031 -0.197 17482 6824 1 12 . 1 1 44 44 VAL N N 44 116.413 116.413 120.365 -3.952 17482 6825 1 12 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.084 0.062 17482 6826 1 12 . 1 1 44 44 VAL C C 44 175.018 175.018 175.524 -0.506 17482 6827 1 12 . 1 1 44 44 VAL CA C 44 62.331 62.331 62.347 -0.016 17482 6828 1 12 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.195 0.446 17482 6829 1 12 . 1 1 44 44 VAL H H 44 7.650 7.650 7.376 0.274 17482 6830 1 12 . 1 1 45 45 GLN N N 45 122.078 122.078 121.749 0.329 17482 6831 1 12 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.124 0.535 17482 6832 1 12 . 1 1 45 45 GLN CA C 45 53.664 53.664 55.444 -1.780 17482 6833 1 12 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.023 1.306 17482 6834 1 12 . 1 1 45 45 GLN H H 45 8.154 8.154 8.453 -0.299 17482 6835 1 12 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.445 -0.012 17482 6836 1 12 . 1 1 46 46 PRO C C 46 177.329 177.329 176.953 0.376 17482 6837 1 12 . 1 1 46 46 PRO CA C 46 63.754 63.754 63.083 0.671 17482 6838 1 12 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.306 -0.076 17482 6839 1 12 . 1 1 47 47 GLU N N 47 119.456 119.456 117.044 2.412 17482 6840 1 12 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.041 0.170 17482 6841 1 12 . 1 1 47 47 GLU C C 47 176.484 176.484 175.407 1.077 17482 6842 1 12 . 1 1 47 47 GLU CA C 47 57.468 57.468 57.680 -0.212 17482 6843 1 12 . 1 1 47 47 GLU CB C 47 30.329 30.329 28.940 1.389 17482 6844 1 12 . 1 1 47 47 GLU H H 47 8.491 8.491 8.644 -0.153 17482 6845 1 12 . 1 1 48 48 ASP N N 48 119.108 119.108 118.882 0.226 17482 6846 1 12 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.748 -0.163 17482 6847 1 12 . 1 1 48 48 ASP C C 48 175.863 175.863 175.168 0.695 17482 6848 1 12 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.680 0.899 17482 6849 1 12 . 1 1 48 48 ASP CB C 48 41.131 41.131 40.666 0.465 17482 6850 1 12 . 1 1 48 48 ASP H H 48 8.137 8.137 8.479 -0.342 17482 6851 1 12 . 1 1 49 49 ASN N N 49 117.714 117.714 118.448 -0.734 17482 6852 1 12 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.430 0.235 17482 6853 1 12 . 1 1 49 49 ASN C C 49 174.975 174.975 174.293 0.682 17482 6854 1 12 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.804 -0.076 17482 6855 1 12 . 1 1 49 49 ASN CB C 49 39.131 39.131 38.841 0.290 17482 6856 1 12 . 1 1 49 49 ASN H H 49 8.173 8.173 8.004 0.169 17482 6857 1 12 . 1 1 50 50 LYS N N 50 120.215 120.215 121.869 -1.654 17482 6858 1 12 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.405 -0.097 17482 6859 1 12 . 1 1 50 50 LYS C C 50 176.950 176.950 175.140 1.810 17482 6860 1 12 . 1 1 50 50 LYS CA C 50 56.828 56.828 55.923 0.905 17482 6861 1 12 . 1 1 50 50 LYS CB C 50 33.031 33.031 32.543 0.488 17482 6862 1 12 . 1 1 50 50 LYS H H 50 8.098 8.098 8.466 -0.368 17482 6863 1 12 . 1 1 51 51 GLY N N 51 109.286 109.286 108.912 0.374 17482 6864 1 12 . 1 1 51 51 GLY C C 51 175.251 175.251 175.633 -0.382 17482 6865 1 12 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.012 0.901 17482 6866 1 12 . 1 1 51 51 GLY H H 51 8.295 8.295 7.840 0.455 17482 6867 1 12 . 1 1 52 52 VAL N N 52 119.528 119.528 123.366 -3.838 17482 6868 1 12 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.795 0.069 17482 6869 1 12 . 1 1 52 52 VAL C C 52 176.372 176.372 176.970 -0.598 17482 6870 1 12 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.580 -0.234 17482 6871 1 12 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.873 0.357 17482 6872 1 12 . 1 1 52 52 VAL H H 52 7.940 7.940 8.539 -0.599 17482 6873 1 12 . 1 1 53 53 PHE N N 53 118.265 118.265 118.656 -0.391 17482 6874 1 12 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.742 -0.149 17482 6875 1 12 . 1 1 53 53 PHE C C 53 176.441 176.441 177.979 -1.538 17482 6876 1 12 . 1 1 53 53 PHE CA C 53 58.676 58.676 60.110 -1.434 17482 6877 1 12 . 1 1 53 53 PHE CB C 53 38.635 38.635 39.196 -0.561 17482 6878 1 12 . 1 1 53 53 PHE H H 53 8.046 8.046 7.888 0.159 17482 6879 1 12 . 1 1 54 54 GLN N N 54 119.441 119.441 119.653 -0.212 17482 6880 1 12 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.151 0.020 17482 6881 1 12 . 1 1 54 54 GLN C C 54 177.166 177.166 178.699 -1.533 17482 6882 1 12 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.323 -1.774 17482 6883 1 12 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.113 1.386 17482 6884 1 12 . 1 1 54 54 GLN H H 54 7.978 7.978 8.723 -0.745 17482 6885 1 12 . 1 1 55 55 GLY N N 55 107.822 107.822 107.028 0.794 17482 6886 1 12 . 1 1 55 55 GLY C C 55 175.294 175.294 175.921 -0.627 17482 6887 1 12 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.306 -0.118 17482 6888 1 12 . 1 1 55 55 GLY H H 55 8.120 8.120 7.807 0.313 17482 6889 1 12 . 1 1 56 56 VAL N N 56 119.174 119.174 121.439 -2.265 17482 6890 1 12 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.589 0.383 17482 6891 1 12 . 1 1 56 56 VAL C C 56 176.527 176.527 176.747 -0.220 17482 6892 1 12 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.575 -1.571 17482 6893 1 12 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.636 0.556 17482 6894 1 12 . 1 1 56 56 VAL H H 56 7.774 7.774 7.572 0.202 17482 6895 1 12 . 1 1 57 57 HIS N N 57 119.221 119.221 118.392 0.829 17482 6896 1 12 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.413 0.129 17482 6897 1 12 . 1 1 57 57 HIS CA C 57 56.973 56.973 59.020 -2.047 17482 6898 1 12 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.151 -0.543 17482 6899 1 12 . 1 1 57 57 HIS H H 57 8.201 8.201 7.616 0.585 17482 6900 1 12 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.393 0.187 17482 6901 1 12 . 1 1 58 58 ASP C C 58 177.097 177.097 177.691 -0.594 17482 6902 1 12 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.020 -1.999 17482 6903 1 12 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.569 0.667 17482 6904 1 12 . 1 1 59 59 SER N N 59 116.347 116.347 115.370 0.977 17482 6905 1 12 . 1 1 59 59 SER HA H 59 4.372 4.372 4.331 0.041 17482 6906 1 12 . 1 1 59 59 SER C C 59 175.087 175.087 176.164 -1.077 17482 6907 1 12 . 1 1 59 59 SER CA C 59 59.207 59.207 60.760 -1.553 17482 6908 1 12 . 1 1 59 59 SER CB C 59 63.780 63.780 63.422 0.358 17482 6909 1 12 . 1 1 59 59 SER H H 59 8.134 8.134 7.485 0.649 17482 6910 1 12 . 1 1 60 60 ALA N N 60 125.097 125.097 123.746 1.351 17482 6911 1 12 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.063 0.190 17482 6912 1 12 . 1 1 60 60 ALA C C 60 178.192 178.192 179.192 -1.000 17482 6913 1 12 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.120 -0.559 17482 6914 1 12 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.507 0.571 17482 6915 1 12 . 1 1 60 60 ALA H H 60 8.203 8.203 7.567 0.636 17482 6916 1 12 . 1 1 61 61 GLU N N 61 118.432 118.432 117.962 0.470 17482 6917 1 12 . 1 1 61 61 GLU HA H 61 4.200 4.200 3.894 0.306 17482 6918 1 12 . 1 1 61 61 GLU C C 61 177.036 177.036 177.239 -0.203 17482 6919 1 12 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.738 -0.514 17482 6920 1 12 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.717 0.511 17482 6921 1 12 . 1 1 61 61 GLU H H 61 8.095 8.095 7.884 0.211 17482 6922 1 12 . 1 1 62 62 LYS N N 62 120.770 120.770 116.064 4.706 17482 6923 1 12 . 1 1 62 62 LYS HA H 62 4.297 4.297 3.978 0.319 17482 6924 1 12 . 1 1 62 62 LYS C C 62 177.450 177.450 176.433 1.017 17482 6925 1 12 . 1 1 62 62 LYS CA C 62 56.826 56.826 57.537 -0.711 17482 6926 1 12 . 1 1 62 62 LYS CB C 62 32.943 32.943 32.475 0.468 17482 6927 1 12 . 1 1 62 62 LYS H H 62 7.969 7.969 7.880 0.089 17482 6928 1 12 . 1 1 63 63 GLY N N 63 108.912 108.912 107.106 1.806 17482 6929 1 12 . 1 1 63 63 GLY C C 63 174.432 174.432 173.497 0.935 17482 6930 1 12 . 1 1 63 63 GLY CA C 63 45.751 45.751 45.083 0.668 17482 6931 1 12 . 1 1 63 63 GLY H H 63 8.287 8.287 8.418 -0.131 17482 6932 1 12 . 1 1 64 64 LYS N N 64 120.529 120.529 120.088 0.441 17482 6933 1 12 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.526 -0.228 17482 6934 1 12 . 1 1 64 64 LYS C C 64 176.622 176.622 173.950 2.672 17482 6935 1 12 . 1 1 64 64 LYS CA C 64 56.731 56.731 55.788 0.943 17482 6936 1 12 . 1 1 64 64 LYS CB C 64 33.117 33.117 34.183 -1.066 17482 6937 1 12 . 1 1 64 64 LYS H H 64 8.019 8.019 8.499 -0.480 17482 6938 1 12 . 1 1 65 65 ASP N N 65 120.673 120.673 119.386 1.287 17482 6939 1 12 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.949 -0.369 17482 6940 1 12 . 1 1 65 65 ASP C C 65 176.226 176.226 175.158 1.068 17482 6941 1 12 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.857 0.926 17482 6942 1 12 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.102 -0.930 17482 6943 1 12 . 1 1 65 65 ASP H H 65 8.296 8.296 8.403 -0.107 17482 6944 1 12 . 1 1 66 66 ASN N N 66 118.902 118.902 118.157 0.745 17482 6945 1 12 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.868 -0.178 17482 6946 1 12 . 1 1 66 66 ASN C C 66 175.217 175.217 174.934 0.283 17482 6947 1 12 . 1 1 66 66 ASN CA C 66 53.475 53.475 53.126 0.349 17482 6948 1 12 . 1 1 66 66 ASN CB C 66 39.117 39.117 39.875 -0.758 17482 6949 1 12 . 1 1 66 66 ASN H H 66 8.212 8.212 8.576 -0.364 17482 6950 1 12 . 1 1 67 67 ALA N N 67 124.149 124.149 122.252 1.897 17482 6951 1 12 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.630 -0.330 17482 6952 1 12 . 1 1 67 67 ALA C C 67 177.890 177.890 176.938 0.952 17482 6953 1 12 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.806 0.247 17482 6954 1 12 . 1 1 67 67 ALA CB C 67 19.427 19.427 18.567 0.860 17482 6955 1 12 . 1 1 67 67 ALA H H 67 8.212 8.212 8.515 -0.303 17482 6956 1 12 . 1 1 68 68 GLU N N 68 119.216 119.216 118.450 0.766 17482 6957 1 12 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.411 -0.140 17482 6958 1 12 . 1 1 68 68 GLU C C 68 177.243 177.243 175.522 1.721 17482 6959 1 12 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.509 0.288 17482 6960 1 12 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.684 -0.525 17482 6961 1 12 . 1 1 68 68 GLU H H 68 8.286 8.286 8.327 -0.041 17482 6962 1 12 . 1 1 69 69 GLY N N 69 109.637 109.637 108.326 1.311 17482 6963 1 12 . 1 1 69 69 GLY C C 69 174.371 174.371 173.283 1.088 17482 6964 1 12 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.355 0.279 17482 6965 1 12 . 1 1 69 69 GLY H H 69 8.293 8.293 7.881 0.412 17482 6966 1 12 . 1 1 70 70 GLN N N 70 119.629 119.629 124.185 -4.556 17482 6967 1 12 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.078 0.315 17482 6968 1 12 . 1 1 70 70 GLN C C 70 176.502 176.502 175.446 1.056 17482 6969 1 12 . 1 1 70 70 GLN CA C 70 56.046 56.046 56.801 -0.755 17482 6970 1 12 . 1 1 70 70 GLN CB C 70 29.627 29.627 28.558 1.069 17482 6971 1 12 . 1 1 70 70 GLN H H 70 8.201 8.201 8.512 -0.311 17482 6972 1 12 . 1 1 71 71 GLY N N 71 109.977 109.977 113.620 -3.643 17482 6973 1 12 . 1 1 71 71 GLY C C 71 173.992 173.992 174.072 -0.080 17482 6974 1 12 . 1 1 71 71 GLY CA C 71 45.634 45.634 45.249 0.384 17482 6975 1 12 . 1 1 71 71 GLY H H 71 8.424 8.424 8.686 -0.262 17482 6976 1 12 . 1 1 72 72 GLU N N 72 120.532 120.532 120.612 -0.080 17482 6977 1 12 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.763 -0.352 17482 6978 1 12 . 1 1 72 72 GLU C C 72 176.639 176.639 175.148 1.491 17482 6979 1 12 . 1 1 72 72 GLU CA C 72 56.618 56.618 55.854 0.764 17482 6980 1 12 . 1 1 72 72 GLU CB C 72 30.731 30.731 32.708 -1.977 17482 6981 1 12 . 1 1 72 72 GLU H H 72 8.244 8.244 8.546 -0.302 17482 6982 1 12 . 1 1 73 73 SER N N 73 117.827 117.827 115.775 2.052 17482 6983 1 12 . 1 1 73 73 SER HA H 73 4.589 4.589 4.834 -0.245 17482 6984 1 12 . 1 1 73 73 SER C C 73 175.475 175.475 174.819 0.656 17482 6985 1 12 . 1 1 73 73 SER CA C 73 58.064 58.064 57.900 0.164 17482 6986 1 12 . 1 1 73 73 SER CB C 73 64.761 64.761 64.555 0.206 17482 6987 1 12 . 1 1 73 73 SER H H 73 8.689 8.689 8.486 0.203 17482 6988 1 12 . 1 1 74 74 LEU N N 74 124.414 124.414 127.610 -3.196 17482 6989 1 12 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.081 0.120 17482 6990 1 12 . 1 1 74 74 LEU C C 74 178.735 178.735 177.552 1.183 17482 6991 1 12 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.264 0.631 17482 6992 1 12 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.962 -0.029 17482 6993 1 12 . 1 1 74 74 LEU H H 74 8.514 8.514 8.557 -0.043 17482 6994 1 12 . 1 1 75 75 ALA N N 75 120.291 120.291 120.029 0.262 17482 6995 1 12 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.984 0.006 17482 6996 1 12 . 1 1 75 75 ALA C C 75 179.046 179.046 180.029 -0.983 17482 6997 1 12 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.928 0.338 17482 6998 1 12 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.735 0.859 17482 6999 1 12 . 1 1 75 75 ALA H H 75 8.160 8.160 8.254 -0.094 17482 7000 1 12 . 1 1 76 76 ASP N N 76 117.288 117.288 117.189 0.099 17482 7001 1 12 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.527 -0.121 17482 7002 1 12 . 1 1 76 76 ASP C C 76 178.476 178.476 178.621 -0.145 17482 7003 1 12 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.763 0.370 17482 7004 1 12 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.139 -0.487 17482 7005 1 12 . 1 1 76 76 ASP H H 76 7.773 7.773 8.160 -0.387 17482 7006 1 12 . 1 1 77 77 GLN N N 77 119.454 119.454 118.905 0.549 17482 7007 1 12 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.145 0.017 17482 7008 1 12 . 1 1 77 77 GLN C C 77 178.037 178.037 178.125 -0.088 17482 7009 1 12 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.246 0.135 17482 7010 1 12 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.896 0.584 17482 7011 1 12 . 1 1 77 77 GLN H H 77 7.994 7.994 7.796 0.198 17482 7012 1 12 . 1 1 78 78 ALA N N 78 121.577 121.577 123.172 -1.595 17482 7013 1 12 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.165 -0.016 17482 7014 1 12 . 1 1 78 78 ALA C C 78 178.977 178.977 179.622 -0.645 17482 7015 1 12 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.257 -0.126 17482 7016 1 12 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.270 0.385 17482 7017 1 12 . 1 1 78 78 ALA H H 78 8.498 8.498 8.284 0.214 17482 7018 1 12 . 1 1 79 79 ARG N N 79 117.138 117.138 118.397 -1.259 17482 7019 1 12 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.073 -0.061 17482 7020 1 12 . 1 1 79 79 ARG C C 79 175.449 175.449 178.676 -3.227 17482 7021 1 12 . 1 1 79 79 ARG CA C 79 59.503 59.503 58.810 0.693 17482 7022 1 12 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.658 0.488 17482 7023 1 12 . 1 1 79 79 ARG H H 79 8.101 8.101 7.716 0.385 17482 7024 1 12 . 1 1 80 80 ASP N N 80 120.784 120.784 119.559 1.225 17482 7025 1 12 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.494 0.019 17482 7026 1 12 . 1 1 80 80 ASP C C 80 178.882 178.882 178.625 0.257 17482 7027 1 12 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.216 -0.340 17482 7028 1 12 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.797 -0.469 17482 7029 1 12 . 1 1 80 80 ASP H H 80 8.000 8.000 7.755 0.245 17482 7030 1 12 . 1 1 81 81 TYR N N 81 120.298 120.298 120.481 -0.183 17482 7031 1 12 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.373 0.058 17482 7032 1 12 . 1 1 81 81 TYR C C 81 177.855 177.855 177.915 -0.060 17482 7033 1 12 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.499 0.335 17482 7034 1 12 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.687 -0.208 17482 7035 1 12 . 1 1 81 81 TYR H H 81 8.127 8.127 7.347 0.780 17482 7036 1 12 . 1 1 82 82 MET N N 82 118.452 118.452 118.310 0.142 17482 7037 1 12 . 1 1 82 82 MET HA H 82 4.239 4.239 4.282 -0.043 17482 7038 1 12 . 1 1 82 82 MET C C 82 178.175 178.175 178.857 -0.682 17482 7039 1 12 . 1 1 82 82 MET CA C 82 58.757 58.757 58.479 0.278 17482 7040 1 12 . 1 1 82 82 MET CB C 82 32.631 32.631 32.456 0.175 17482 7041 1 12 . 1 1 82 82 MET H H 82 8.382 8.382 8.552 -0.170 17482 7042 1 12 . 1 1 83 83 GLY N N 83 106.740 106.740 106.107 0.633 17482 7043 1 12 . 1 1 83 83 GLY C C 83 176.717 176.717 175.190 1.527 17482 7044 1 12 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.265 0.066 17482 7045 1 12 . 1 1 83 83 GLY H H 83 8.308 8.308 8.194 0.114 17482 7046 1 12 . 1 1 84 84 ALA N N 84 125.357 125.357 124.151 1.206 17482 7047 1 12 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.044 0.243 17482 7048 1 12 . 1 1 84 84 ALA C C 84 180.149 180.149 179.375 0.774 17482 7049 1 12 . 1 1 84 84 ALA CA C 84 54.648 54.648 55.136 -0.488 17482 7050 1 12 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.199 0.342 17482 7051 1 12 . 1 1 84 84 ALA H H 84 7.905 7.905 7.662 0.243 17482 7052 1 12 . 1 1 85 85 ALA N N 85 121.332 121.332 120.212 1.120 17482 7053 1 12 . 1 1 85 85 ALA HA H 85 4.025 4.025 4.059 -0.034 17482 7054 1 12 . 1 1 85 85 ALA C C 85 178.847 178.847 179.756 -0.909 17482 7055 1 12 . 1 1 85 85 ALA CA C 85 55.283 55.283 55.345 -0.062 17482 7056 1 12 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.116 0.371 17482 7057 1 12 . 1 1 85 85 ALA H H 85 8.341 8.341 8.002 0.339 17482 7058 1 12 . 1 1 86 86 LYS N N 86 116.980 116.980 118.781 -1.801 17482 7059 1 12 . 1 1 86 86 LYS HA H 86 3.872 3.872 4.030 -0.158 17482 7060 1 12 . 1 1 86 86 LYS C C 86 178.485 178.485 179.146 -0.661 17482 7061 1 12 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.046 1.147 17482 7062 1 12 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.656 0.675 17482 7063 1 12 . 1 1 86 86 LYS H H 86 8.360 8.360 7.405 0.955 17482 7064 1 12 . 1 1 87 87 SER N N 87 113.632 113.632 115.260 -1.628 17482 7065 1 12 . 1 1 87 87 SER HA H 87 4.299 4.299 4.106 0.193 17482 7066 1 12 . 1 1 87 87 SER C C 87 176.467 176.467 176.703 -0.236 17482 7067 1 12 . 1 1 87 87 SER CA C 87 61.614 61.614 62.053 -0.439 17482 7068 1 12 . 1 1 87 87 SER CB C 87 63.064 63.064 63.026 0.037 17482 7069 1 12 . 1 1 87 87 SER H H 87 7.863 7.863 7.915 -0.052 17482 7070 1 12 . 1 1 88 88 LYS N N 88 120.925 120.925 121.259 -0.334 17482 7071 1 12 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.038 0.307 17482 7072 1 12 . 1 1 88 88 LYS C C 88 178.502 178.502 178.933 -0.431 17482 7073 1 12 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.659 -0.963 17482 7074 1 12 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.259 -0.248 17482 7075 1 12 . 1 1 88 88 LYS H H 88 7.843 7.843 7.933 -0.090 17482 7076 1 12 . 1 1 89 89 LEU N N 89 119.955 119.955 121.749 -1.794 17482 7077 1 12 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.939 0.166 17482 7078 1 12 . 1 1 89 89 LEU C C 89 178.209 178.209 178.576 -0.367 17482 7079 1 12 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.980 0.217 17482 7080 1 12 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.562 0.069 17482 7081 1 12 . 1 1 89 89 LEU H H 89 8.174 8.174 8.502 -0.328 17482 7082 1 12 . 1 1 90 90 ASN N N 90 117.013 117.013 116.440 0.573 17482 7083 1 12 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.395 -0.002 17482 7084 1 12 . 1 1 90 90 ASN C C 90 174.164 174.164 177.926 -3.762 17482 7085 1 12 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.478 0.688 17482 7086 1 12 . 1 1 90 90 ASN CB C 90 38.952 38.952 37.961 0.991 17482 7087 1 12 . 1 1 90 90 ASN H H 90 8.223 8.223 8.264 -0.042 17482 7088 1 12 . 1 1 91 91 ASP N N 91 119.959 119.959 119.232 0.727 17482 7089 1 12 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.427 0.030 17482 7090 1 12 . 1 1 91 91 ASP C C 91 178.804 178.804 177.477 1.327 17482 7091 1 12 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.179 0.259 17482 7092 1 12 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.848 -0.669 17482 7093 1 12 . 1 1 91 91 ASP H H 91 8.043 8.043 7.494 0.549 17482 7094 1 12 . 1 1 92 92 ALA N N 92 123.900 123.900 122.540 1.360 17482 7095 1 12 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.290 -0.087 17482 7096 1 12 . 1 1 92 92 ALA C C 92 178.951 178.951 179.588 -0.637 17482 7097 1 12 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.995 0.542 17482 7098 1 12 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.761 -0.257 17482 7099 1 12 . 1 1 92 92 ALA H H 92 8.256 8.256 7.636 0.620 17482 7100 1 12 . 1 1 93 93 VAL N N 93 118.228 118.228 119.590 -1.362 17482 7101 1 12 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.557 0.037 17482 7102 1 12 . 1 1 93 93 VAL C C 93 178.761 178.761 178.122 0.639 17482 7103 1 12 . 1 1 93 93 VAL CA C 93 67.157 67.157 66.769 0.387 17482 7104 1 12 . 1 1 93 93 VAL CB C 93 31.795 31.795 30.436 1.359 17482 7105 1 12 . 1 1 93 93 VAL H H 93 8.449 8.449 8.686 -0.237 17482 7106 1 12 . 1 1 94 94 GLU N N 94 120.485 120.485 119.430 1.055 17482 7107 1 12 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.965 0.080 17482 7108 1 12 . 1 1 94 94 GLU C C 94 179.347 179.347 179.373 -0.026 17482 7109 1 12 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.092 -0.461 17482 7110 1 12 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.541 -0.010 17482 7111 1 12 . 1 1 94 94 GLU H H 94 8.175 8.175 7.865 0.310 17482 7112 1 12 . 1 1 95 95 TYR N N 95 120.806 120.806 119.829 0.977 17482 7113 1 12 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.309 -0.081 17482 7114 1 12 . 1 1 95 95 TYR C C 95 178.407 178.407 177.627 0.780 17482 7115 1 12 . 1 1 95 95 TYR CA C 95 61.561 61.561 60.929 0.632 17482 7116 1 12 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.657 -0.026 17482 7117 1 12 . 1 1 95 95 TYR H H 95 8.197 8.197 7.378 0.819 17482 7118 1 12 . 1 1 96 96 VAL N N 96 118.584 118.584 119.599 -1.015 17482 7119 1 12 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.541 -0.058 17482 7120 1 12 . 1 1 96 96 VAL C C 96 177.752 177.752 177.907 -0.155 17482 7121 1 12 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.178 -0.498 17482 7122 1 12 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.536 0.486 17482 7123 1 12 . 1 1 96 96 VAL H H 96 8.525 8.525 8.592 -0.067 17482 7124 1 12 . 1 1 97 97 SER N N 97 114.566 114.566 114.917 -0.351 17482 7125 1 12 . 1 1 97 97 SER HA H 97 4.080 4.080 4.157 -0.077 17482 7126 1 12 . 1 1 97 97 SER C C 97 176.803 176.803 177.121 -0.318 17482 7127 1 12 . 1 1 97 97 SER CA C 97 61.800 61.800 61.876 -0.076 17482 7128 1 12 . 1 1 97 97 SER CB C 97 63.258 63.258 62.866 0.392 17482 7129 1 12 . 1 1 97 97 SER H H 97 8.642 8.642 8.856 -0.214 17482 7130 1 12 . 1 1 98 98 GLY N N 98 107.586 107.586 107.299 0.287 17482 7131 1 12 . 1 1 98 98 GLY C C 98 175.553 175.553 175.110 0.443 17482 7132 1 12 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.920 0.636 17482 7133 1 12 . 1 1 98 98 GLY H H 98 7.926 7.926 7.745 0.181 17482 7134 1 12 . 1 1 99 99 ARG N N 99 119.948 119.948 119.998 -0.050 17482 7135 1 12 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.288 -0.085 17482 7136 1 12 . 1 1 99 99 ARG C C 99 177.830 177.830 178.266 -0.436 17482 7137 1 12 . 1 1 99 99 ARG CA C 99 57.129 57.129 56.810 0.319 17482 7138 1 12 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.887 -0.675 17482 7139 1 12 . 1 1 99 99 ARG H H 99 7.611 7.611 7.532 0.079 17482 7140 1 12 . 1 1 100 100 VAL N N 100 116.709 116.709 117.535 -0.826 17482 7141 1 12 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.765 0.175 17482 7142 1 12 . 1 1 100 100 VAL C C 100 176.381 176.381 175.701 0.680 17482 7143 1 12 . 1 1 100 100 VAL CA C 100 63.931 63.931 64.899 -0.968 17482 7144 1 12 . 1 1 100 100 VAL CB C 100 32.331 32.331 32.368 -0.037 17482 7145 1 12 . 1 1 100 100 VAL H H 100 7.906 7.906 8.190 -0.284 17482 7146 1 12 . 1 1 101 101 HIS N N 101 117.584 117.584 117.767 -0.183 17482 7147 1 12 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.251 0.524 17482 7148 1 12 . 1 1 101 101 HIS C C 101 175.484 175.484 174.923 0.561 17482 7149 1 12 . 1 1 101 101 HIS CA C 101 55.862 55.862 56.463 -0.601 17482 7150 1 12 . 1 1 101 101 HIS CB C 101 29.517 29.517 28.243 1.274 17482 7151 1 12 . 1 1 101 101 HIS H H 101 8.061 8.061 7.581 0.480 17482 7152 1 12 . 1 1 102 102 GLY N N 102 109.164 109.164 112.732 -3.568 17482 7153 1 12 . 1 1 102 102 GLY C C 102 174.121 174.121 173.223 0.898 17482 7154 1 12 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.776 -0.057 17482 7155 1 12 . 1 1 102 102 GLY H H 102 7.990 7.990 8.924 -0.934 17482 7156 1 12 . 1 1 103 103 GLU N N 103 120.493 120.493 118.090 2.403 17482 7157 1 12 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.385 -0.070 17482 7158 1 12 . 1 1 103 103 GLU C C 103 176.467 176.467 174.516 1.951 17482 7159 1 12 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.548 0.903 17482 7160 1 12 . 1 1 103 103 GLU CB C 103 30.731 30.731 31.017 -0.286 17482 7161 1 12 . 1 1 103 103 GLU H H 103 8.320 8.320 7.966 0.354 17482 7162 1 12 . 1 1 104 104 GLU N N 104 122.018 122.018 121.274 0.744 17482 7163 1 12 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.475 -0.212 17482 7164 1 12 . 1 1 104 104 GLU C C 104 175.820 175.820 174.510 1.310 17482 7165 1 12 . 1 1 104 104 GLU CA C 104 56.480 56.480 56.938 -0.458 17482 7166 1 12 . 1 1 104 104 GLU CB C 104 30.654 30.654 31.009 -0.355 17482 7167 1 12 . 1 1 104 104 GLU H H 104 8.358 8.358 8.752 -0.394 17482 7168 1 12 . 1 1 105 105 ASP N N 105 122.625 122.625 122.749 -0.124 17482 7169 1 12 . 1 1 105 105 ASP HA H 105 4.898 4.898 5.018 -0.120 17482 7170 1 12 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.562 -1.833 17482 7171 1 12 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.462 0.152 17482 7172 1 12 . 1 1 105 105 ASP H H 105 8.350 8.350 8.564 -0.214 17482 7173 1 12 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.769 -0.303 17482 7174 1 12 . 1 1 106 106 PRO C C 106 177.605 177.605 176.335 1.270 17482 7175 1 12 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.148 0.773 17482 7176 1 12 . 1 1 106 106 PRO CB C 106 32.296 32.296 33.102 -0.806 17482 7177 1 12 . 1 1 107 107 THR N N 107 111.954 111.954 111.525 0.429 17482 7178 1 12 . 1 1 107 107 THR HA H 107 4.281 4.281 4.935 -0.654 17482 7179 1 12 . 1 1 107 107 THR C C 107 174.889 174.889 173.501 1.388 17482 7180 1 12 . 1 1 107 107 THR CA C 107 62.896 62.896 61.217 1.679 17482 7181 1 12 . 1 1 107 107 THR CB C 107 69.593 69.593 71.837 -2.244 17482 7182 1 12 . 1 1 107 107 THR H H 107 8.355 8.355 8.288 0.067 17482 7183 1 12 . 1 1 108 108 LYS N N 108 123.177 123.177 121.508 1.669 17482 7184 1 12 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.492 -0.137 17482 7185 1 12 . 1 1 108 108 LYS C C 108 175.406 175.406 174.945 0.461 17482 7186 1 12 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.553 0.699 17482 7187 1 12 . 1 1 108 108 LYS CB C 108 32.964 32.964 34.611 -1.647 17482 7188 1 12 . 1 1 108 108 LYS H H 108 7.739 7.739 8.886 -1.147 17482 7189 1 13 . 1 1 2 2 SER HA H 2 4.546 4.546 5.152 -0.606 17482 7190 1 13 . 1 1 2 2 SER CA C 2 58.499 58.499 57.573 0.926 17482 7191 1 13 . 1 1 2 2 SER CB C 2 64.011 64.011 65.209 -1.198 17482 7192 1 13 . 1 1 3 3 ASP HA H 3 4.602 4.602 5.156 -0.554 17482 7193 1 13 . 1 1 3 3 ASP C C 3 176.010 176.010 174.169 1.841 17482 7194 1 13 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.226 0.510 17482 7195 1 13 . 1 1 3 3 ASP CB C 3 41.269 41.269 42.633 -1.365 17482 7196 1 13 . 1 1 4 4 ALA N N 4 123.253 123.253 124.244 -0.991 17482 7197 1 13 . 1 1 4 4 ALA HA H 4 4.326 4.326 5.145 -0.819 17482 7198 1 13 . 1 1 4 4 ALA C C 4 178.097 178.097 176.275 1.822 17482 7199 1 13 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.046 0.801 17482 7200 1 13 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.733 -1.410 17482 7201 1 13 . 1 1 4 4 ALA H H 4 8.095 8.095 8.827 -0.732 17482 7202 1 13 . 1 1 5 5 GLY N N 5 107.651 107.651 108.496 -0.845 17482 7203 1 13 . 1 1 5 5 GLY C C 5 174.828 174.828 173.185 1.643 17482 7204 1 13 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.399 1.049 17482 7205 1 13 . 1 1 5 5 GLY H H 5 8.167 8.167 8.973 -0.806 17482 7206 1 13 . 1 1 6 6 ARG N N 6 120.230 120.230 120.310 -0.080 17482 7207 1 13 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.698 -0.349 17482 7208 1 13 . 1 1 6 6 ARG C C 6 176.562 176.562 175.636 0.926 17482 7209 1 13 . 1 1 6 6 ARG CA C 6 56.399 56.399 55.481 0.918 17482 7210 1 13 . 1 1 6 6 ARG CB C 6 30.831 30.831 31.158 -0.327 17482 7211 1 13 . 1 1 6 6 ARG H H 6 8.060 8.060 8.348 -0.288 17482 7212 1 13 . 1 1 7 7 LYS N N 7 121.076 121.076 118.378 2.698 17482 7213 1 13 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.052 0.205 17482 7214 1 13 . 1 1 7 7 LYS C C 7 177.010 177.010 177.673 -0.663 17482 7215 1 13 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.460 0.460 17482 7216 1 13 . 1 1 7 7 LYS CB C 7 32.831 32.831 32.549 0.282 17482 7217 1 13 . 1 1 7 7 LYS H H 7 8.181 8.181 8.360 -0.179 17482 7218 1 13 . 1 1 8 8 GLY N N 8 108.196 108.196 108.492 -0.296 17482 7219 1 13 . 1 1 8 8 GLY C C 8 174.828 174.828 175.876 -1.048 17482 7220 1 13 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.573 -0.744 17482 7221 1 13 . 1 1 8 8 GLY H H 8 8.141 8.141 8.664 -0.523 17482 7222 1 13 . 1 1 9 9 PHE N N 9 120.374 120.374 123.213 -2.839 17482 7223 1 13 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.563 -0.171 17482 7224 1 13 . 1 1 9 9 PHE C C 9 176.898 176.898 176.802 0.096 17482 7225 1 13 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.966 1.014 17482 7226 1 13 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.412 0.141 17482 7227 1 13 . 1 1 9 9 PHE H H 9 8.072 8.072 8.346 -0.274 17482 7228 1 13 . 1 1 10 10 GLY N N 10 107.944 107.944 107.819 0.125 17482 7229 1 13 . 1 1 10 10 GLY C C 10 175.441 175.441 175.058 0.383 17482 7230 1 13 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.491 -0.669 17482 7231 1 13 . 1 1 10 10 GLY H H 10 8.431 8.431 7.882 0.549 17482 7232 1 13 . 1 1 11 11 GLU N N 11 121.098 121.098 121.663 -0.565 17482 7233 1 13 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.976 0.124 17482 7234 1 13 . 1 1 11 11 GLU C C 11 175.234 175.234 179.229 -3.995 17482 7235 1 13 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.270 -0.299 17482 7236 1 13 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.037 0.861 17482 7237 1 13 . 1 1 11 11 GLU H H 11 8.003 8.003 8.844 -0.841 17482 7238 1 13 . 1 1 12 12 LYS N N 12 119.103 119.103 118.997 0.106 17482 7239 1 13 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.027 0.117 17482 7240 1 13 . 1 1 12 12 LYS C C 12 178.520 178.520 178.787 -0.267 17482 7241 1 13 . 1 1 12 12 LYS CA C 12 58.337 58.337 57.702 0.635 17482 7242 1 13 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.578 0.816 17482 7243 1 13 . 1 1 12 12 LYS H H 12 7.930 7.930 7.513 0.417 17482 7244 1 13 . 1 1 13 13 ALA N N 13 121.534 121.534 122.988 -1.454 17482 7245 1 13 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.911 0.100 17482 7246 1 13 . 1 1 13 13 ALA C C 13 178.364 178.364 179.834 -1.470 17482 7247 1 13 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.231 -0.503 17482 7248 1 13 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.814 0.646 17482 7249 1 13 . 1 1 13 13 ALA H H 13 8.216 8.216 8.316 -0.100 17482 7250 1 13 . 1 1 14 14 SER N N 14 111.263 111.263 112.678 -1.415 17482 7251 1 13 . 1 1 14 14 SER HA H 14 4.114 4.114 4.118 -0.004 17482 7252 1 13 . 1 1 14 14 SER C C 14 176.148 176.148 176.989 -0.841 17482 7253 1 13 . 1 1 14 14 SER CA C 14 61.159 61.159 61.583 -0.424 17482 7254 1 13 . 1 1 14 14 SER CB C 14 63.250 63.250 63.038 0.212 17482 7255 1 13 . 1 1 14 14 SER H H 14 8.000 8.000 8.153 -0.153 17482 7256 1 13 . 1 1 15 15 GLU N N 15 119.902 119.902 120.619 -0.717 17482 7257 1 13 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.107 0.059 17482 7258 1 13 . 1 1 15 15 GLU C C 15 177.493 177.493 177.648 -0.155 17482 7259 1 13 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.687 -0.674 17482 7260 1 13 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.600 0.341 17482 7261 1 13 . 1 1 15 15 GLU H H 15 7.724 7.724 7.370 0.354 17482 7262 1 13 . 1 1 16 16 ALA N N 16 120.687 120.687 122.033 -1.346 17482 7263 1 13 . 1 1 16 16 ALA HA H 16 4.261 4.261 3.941 0.320 17482 7264 1 13 . 1 1 16 16 ALA C C 16 177.933 177.933 179.041 -1.108 17482 7265 1 13 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.801 -1.026 17482 7266 1 13 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.005 0.539 17482 7267 1 13 . 1 1 16 16 ALA H H 16 7.726 7.726 8.098 -0.372 17482 7268 1 13 . 1 1 17 17 LEU N N 17 116.559 116.559 114.552 2.007 17482 7269 1 13 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.144 0.215 17482 7270 1 13 . 1 1 17 17 LEU C C 17 176.277 176.277 177.791 -1.514 17482 7271 1 13 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.531 -1.597 17482 7272 1 13 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.515 1.049 17482 7273 1 13 . 1 1 17 17 LEU H H 17 7.634 7.634 7.639 -0.005 17482 7274 1 13 . 1 1 18 18 LYS N N 18 120.269 120.269 119.595 0.674 17482 7275 1 13 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.143 0.424 17482 7276 1 13 . 1 1 18 18 LYS CA C 18 54.489 54.489 56.346 -1.857 17482 7277 1 13 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.040 0.480 17482 7278 1 13 . 1 1 18 18 LYS H H 18 7.761 7.761 7.536 0.225 17482 7279 1 13 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.472 -0.029 17482 7280 1 13 . 1 1 19 19 PRO C C 19 176.984 176.984 175.823 1.161 17482 7281 1 13 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.378 0.455 17482 7282 1 13 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.337 -0.090 17482 7283 1 13 . 1 1 20 20 ASP N N 20 119.103 119.103 116.880 2.223 17482 7284 1 13 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.612 -0.010 17482 7285 1 13 . 1 1 20 20 ASP C C 20 176.639 176.639 175.675 0.964 17482 7286 1 13 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.369 0.128 17482 7287 1 13 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.190 0.041 17482 7288 1 13 . 1 1 20 20 ASP H H 20 8.383 8.383 8.283 0.100 17482 7289 1 13 . 1 1 21 21 SER N N 21 115.970 115.970 113.855 2.115 17482 7290 1 13 . 1 1 21 21 SER HA H 21 4.376 4.376 4.143 0.233 17482 7291 1 13 . 1 1 21 21 SER C C 21 174.889 174.889 173.872 1.017 17482 7292 1 13 . 1 1 21 21 SER CA C 21 59.093 59.093 59.365 -0.272 17482 7293 1 13 . 1 1 21 21 SER CB C 21 63.860 63.860 62.714 1.146 17482 7294 1 13 . 1 1 21 21 SER H H 21 8.054 8.054 8.273 -0.219 17482 7295 1 13 . 1 1 22 22 GLN N N 22 120.766 120.766 117.909 2.857 17482 7296 1 13 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.348 -0.070 17482 7297 1 13 . 1 1 22 22 GLN C C 22 175.984 175.984 175.352 0.632 17482 7298 1 13 . 1 1 22 22 GLN CA C 22 56.739 56.739 56.422 0.317 17482 7299 1 13 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.710 -0.519 17482 7300 1 13 . 1 1 22 22 GLN H H 22 8.452 8.452 8.196 0.256 17482 7301 1 13 . 1 1 23 23 LYS N N 23 120.410 120.410 120.107 0.303 17482 7302 1 13 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.597 -0.260 17482 7303 1 13 . 1 1 23 23 LYS C C 23 176.191 176.191 177.207 -1.016 17482 7304 1 13 . 1 1 23 23 LYS CA C 23 56.208 56.208 54.996 1.212 17482 7305 1 13 . 1 1 23 23 LYS CB C 23 33.736 33.736 33.731 0.005 17482 7306 1 13 . 1 1 23 23 LYS H H 23 7.935 7.935 7.658 0.277 17482 7307 1 13 . 1 1 24 24 SER N N 24 117.302 117.302 115.083 2.219 17482 7308 1 13 . 1 1 24 24 SER HA H 24 4.492 4.492 4.481 0.011 17482 7309 1 13 . 1 1 24 24 SER C C 24 175.717 175.717 175.818 -0.101 17482 7310 1 13 . 1 1 24 24 SER CA C 24 58.145 58.145 58.132 0.013 17482 7311 1 13 . 1 1 24 24 SER CB C 24 63.815 63.815 63.272 0.543 17482 7312 1 13 . 1 1 24 24 SER H H 24 8.365 8.365 8.620 -0.255 17482 7313 1 13 . 1 1 25 25 TYR N N 25 121.904 121.904 121.679 0.225 17482 7314 1 13 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.114 0.268 17482 7315 1 13 . 1 1 25 25 TYR C C 25 177.752 177.752 176.771 0.981 17482 7316 1 13 . 1 1 25 25 TYR CA C 25 60.945 60.945 60.127 0.818 17482 7317 1 13 . 1 1 25 25 TYR CB C 25 37.821 37.821 38.131 -0.310 17482 7318 1 13 . 1 1 25 25 TYR H H 25 8.205 8.205 8.302 -0.097 17482 7319 1 13 . 1 1 26 26 ALA N N 26 121.123 121.123 120.917 0.206 17482 7320 1 13 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.903 0.154 17482 7321 1 13 . 1 1 26 26 ALA C C 26 179.037 179.037 179.885 -0.848 17482 7322 1 13 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.399 0.138 17482 7323 1 13 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.060 0.414 17482 7324 1 13 . 1 1 26 26 ALA H H 26 8.233 8.233 7.836 0.397 17482 7325 1 13 . 1 1 27 27 GLU N N 27 117.313 117.313 118.216 -0.903 17482 7326 1 13 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.064 -0.047 17482 7327 1 13 . 1 1 27 27 GLU C C 27 179.166 179.166 178.987 0.179 17482 7328 1 13 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.022 0.456 17482 7329 1 13 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.669 0.197 17482 7330 1 13 . 1 1 27 27 GLU H H 27 7.922 7.922 7.912 0.010 17482 7331 1 13 . 1 1 28 28 GLN N N 28 118.602 118.602 119.519 -0.917 17482 7332 1 13 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.890 0.298 17482 7333 1 13 . 1 1 28 28 GLN C C 28 179.132 179.132 178.845 0.287 17482 7334 1 13 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.706 0.139 17482 7335 1 13 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.402 0.980 17482 7336 1 13 . 1 1 28 28 GLN H H 28 8.179 8.179 7.640 0.539 17482 7337 1 13 . 1 1 29 29 GLY N N 29 107.984 107.984 106.842 1.142 17482 7338 1 13 . 1 1 29 29 GLY C C 29 174.518 174.518 175.661 -1.143 17482 7339 1 13 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.623 0.963 17482 7340 1 13 . 1 1 29 29 GLY H H 29 8.804 8.804 8.427 0.377 17482 7341 1 13 . 1 1 30 30 LYS N N 30 121.339 121.339 121.945 -0.606 17482 7342 1 13 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.856 0.105 17482 7343 1 13 . 1 1 30 30 LYS C C 30 178.925 178.925 178.585 0.340 17482 7344 1 13 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.099 0.301 17482 7345 1 13 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.289 0.138 17482 7346 1 13 . 1 1 30 30 LYS H H 30 8.406 8.406 7.443 0.963 17482 7347 1 13 . 1 1 31 31 GLU N N 31 119.880 119.880 118.957 0.923 17482 7348 1 13 . 1 1 31 31 GLU HA H 31 4.040 4.040 3.985 0.055 17482 7349 1 13 . 1 1 31 31 GLU C C 31 177.761 177.761 178.439 -0.678 17482 7350 1 13 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.092 0.439 17482 7351 1 13 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.519 0.012 17482 7352 1 13 . 1 1 31 31 GLU H H 31 8.090 8.090 8.156 -0.066 17482 7353 1 13 . 1 1 32 32 TYR N N 32 119.786 119.786 120.585 -0.799 17482 7354 1 13 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.161 0.110 17482 7355 1 13 . 1 1 32 32 TYR C C 32 178.054 178.054 177.734 0.320 17482 7356 1 13 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.696 0.024 17482 7357 1 13 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.664 0.267 17482 7358 1 13 . 1 1 32 32 TYR H H 32 8.052 8.052 7.724 0.328 17482 7359 1 13 . 1 1 33 33 ILE N N 33 116.856 116.856 117.921 -1.065 17482 7360 1 13 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.656 0.136 17482 7361 1 13 . 1 1 33 33 ILE C C 33 177.519 177.519 178.022 -0.503 17482 7362 1 13 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.072 -1.053 17482 7363 1 13 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.572 0.539 17482 7364 1 13 . 1 1 33 33 ILE H H 33 8.249 8.249 8.221 0.028 17482 7365 1 13 . 1 1 34 34 THR N N 34 114.203 114.203 116.091 -1.888 17482 7366 1 13 . 1 1 34 34 THR HA H 34 3.934 3.934 3.921 0.013 17482 7367 1 13 . 1 1 34 34 THR C C 34 176.579 176.579 176.559 0.020 17482 7368 1 13 . 1 1 34 34 THR CA C 34 66.459 66.459 67.230 -0.771 17482 7369 1 13 . 1 1 34 34 THR CB C 34 68.845 68.845 68.592 0.253 17482 7370 1 13 . 1 1 34 34 THR H H 34 8.254 8.254 8.010 0.244 17482 7371 1 13 . 1 1 35 35 ASP N N 35 121.116 121.116 120.551 0.565 17482 7372 1 13 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.373 0.123 17482 7373 1 13 . 1 1 35 35 ASP C C 35 177.933 177.933 178.029 -0.096 17482 7374 1 13 . 1 1 35 35 ASP CA C 35 57.062 57.062 56.752 0.310 17482 7375 1 13 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.641 1.187 17482 7376 1 13 . 1 1 35 35 ASP H H 35 7.880 7.880 7.846 0.034 17482 7377 1 13 . 1 1 36 36 LYS N N 36 116.457 116.457 119.542 -3.085 17482 7378 1 13 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.062 0.095 17482 7379 1 13 . 1 1 36 36 LYS C C 36 177.968 177.968 178.587 -0.619 17482 7380 1 13 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.844 -1.973 17482 7381 1 13 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.224 -0.311 17482 7382 1 13 . 1 1 36 36 LYS H H 36 7.677 7.677 7.312 0.365 17482 7383 1 13 . 1 1 37 37 ALA N N 37 121.588 121.588 121.205 0.383 17482 7384 1 13 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.046 -0.041 17482 7385 1 13 . 1 1 37 37 ALA C C 37 178.795 178.795 179.971 -1.176 17482 7386 1 13 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.995 0.336 17482 7387 1 13 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.173 0.301 17482 7388 1 13 . 1 1 37 37 ALA H H 37 8.296 8.296 8.065 0.231 17482 7389 1 13 . 1 1 38 38 ASP N N 38 116.490 116.490 118.093 -1.603 17482 7390 1 13 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.484 -0.075 17482 7391 1 13 . 1 1 38 38 ASP C C 38 178.347 178.347 178.393 -0.046 17482 7392 1 13 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.321 -0.592 17482 7393 1 13 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.121 -0.073 17482 7394 1 13 . 1 1 38 38 ASP H H 38 8.046 8.046 7.629 0.417 17482 7395 1 13 . 1 1 39 39 LYS N N 39 118.627 118.627 120.691 -2.064 17482 7396 1 13 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.083 0.065 17482 7397 1 13 . 1 1 39 39 LYS C C 39 178.588 178.588 179.059 -0.471 17482 7398 1 13 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.558 -1.332 17482 7399 1 13 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.605 0.052 17482 7400 1 13 . 1 1 39 39 LYS H H 39 7.757 7.757 7.452 0.305 17482 7401 1 13 . 1 1 40 40 VAL N N 40 116.146 116.146 119.174 -3.028 17482 7402 1 13 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.775 0.134 17482 7403 1 13 . 1 1 40 40 VAL C C 40 176.683 176.683 177.073 -0.390 17482 7404 1 13 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.120 -0.712 17482 7405 1 13 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.303 1.031 17482 7406 1 13 . 1 1 40 40 VAL H H 40 7.792 7.792 8.431 -0.639 17482 7407 1 13 . 1 1 41 41 ALA N N 41 122.561 122.561 120.851 1.710 17482 7408 1 13 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.254 -0.131 17482 7409 1 13 . 1 1 41 41 ALA C C 41 179.106 179.106 180.289 -1.183 17482 7410 1 13 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.583 -0.054 17482 7411 1 13 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.706 -0.105 17482 7412 1 13 . 1 1 41 41 ALA H H 41 8.094 8.094 7.440 0.654 17482 7413 1 13 . 1 1 42 42 GLY N N 42 105.072 105.072 106.823 -1.751 17482 7414 1 13 . 1 1 42 42 GLY C C 42 174.941 174.941 175.922 -0.981 17482 7415 1 13 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.485 -0.458 17482 7416 1 13 . 1 1 42 42 GLY H H 42 8.044 8.044 8.274 -0.230 17482 7417 1 13 . 1 1 43 43 LYS N N 43 119.123 119.123 118.233 0.890 17482 7418 1 13 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.148 0.193 17482 7419 1 13 . 1 1 43 43 LYS C C 43 176.631 176.631 177.270 -0.639 17482 7420 1 13 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.632 0.166 17482 7421 1 13 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.283 1.113 17482 7422 1 13 . 1 1 43 43 LYS H H 43 7.834 7.834 8.168 -0.334 17482 7423 1 13 . 1 1 44 44 VAL N N 44 116.413 116.413 121.264 -4.851 17482 7424 1 13 . 1 1 44 44 VAL HA H 44 4.146 4.146 3.878 0.268 17482 7425 1 13 . 1 1 44 44 VAL C C 44 175.018 175.018 175.756 -0.738 17482 7426 1 13 . 1 1 44 44 VAL CA C 44 62.331 62.331 63.286 -0.955 17482 7427 1 13 . 1 1 44 44 VAL CB C 44 32.641 32.641 31.943 0.698 17482 7428 1 13 . 1 1 44 44 VAL H H 44 7.650 7.650 7.155 0.495 17482 7429 1 13 . 1 1 45 45 GLN N N 45 122.078 122.078 125.930 -3.852 17482 7430 1 13 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.844 -0.185 17482 7431 1 13 . 1 1 45 45 GLN CA C 45 53.664 53.664 53.397 0.267 17482 7432 1 13 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.735 0.594 17482 7433 1 13 . 1 1 45 45 GLN H H 45 8.154 8.154 8.378 -0.224 17482 7434 1 13 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.451 -0.018 17482 7435 1 13 . 1 1 46 46 PRO C C 46 177.329 177.329 177.169 0.160 17482 7436 1 13 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.318 1.436 17482 7437 1 13 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.422 -0.191 17482 7438 1 13 . 1 1 47 47 GLU N N 47 119.456 119.456 117.548 1.908 17482 7439 1 13 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.054 0.157 17482 7440 1 13 . 1 1 47 47 GLU C C 47 176.484 176.484 175.994 0.490 17482 7441 1 13 . 1 1 47 47 GLU CA C 47 57.468 57.468 58.127 -0.659 17482 7442 1 13 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.893 0.436 17482 7443 1 13 . 1 1 47 47 GLU H H 47 8.491 8.491 8.529 -0.038 17482 7444 1 13 . 1 1 48 48 ASP N N 48 119.108 119.108 119.434 -0.326 17482 7445 1 13 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.752 -0.167 17482 7446 1 13 . 1 1 48 48 ASP C C 48 175.863 175.863 175.073 0.790 17482 7447 1 13 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.485 1.094 17482 7448 1 13 . 1 1 48 48 ASP CB C 48 41.131 41.131 41.805 -0.674 17482 7449 1 13 . 1 1 48 48 ASP H H 48 8.137 8.137 7.866 0.271 17482 7450 1 13 . 1 1 49 49 ASN N N 49 117.714 117.714 119.681 -1.967 17482 7451 1 13 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.419 0.246 17482 7452 1 13 . 1 1 49 49 ASN C C 49 174.975 174.975 174.834 0.141 17482 7453 1 13 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.846 -0.118 17482 7454 1 13 . 1 1 49 49 ASN CB C 49 39.131 39.131 39.210 -0.079 17482 7455 1 13 . 1 1 49 49 ASN H H 49 8.173 8.173 8.754 -0.581 17482 7456 1 13 . 1 1 50 50 LYS N N 50 120.215 120.215 122.403 -2.188 17482 7457 1 13 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.389 -0.081 17482 7458 1 13 . 1 1 50 50 LYS C C 50 176.950 176.950 177.070 -0.120 17482 7459 1 13 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.024 0.804 17482 7460 1 13 . 1 1 50 50 LYS CB C 50 33.031 33.031 32.514 0.516 17482 7461 1 13 . 1 1 50 50 LYS H H 50 8.098 8.098 8.406 -0.308 17482 7462 1 13 . 1 1 51 51 GLY N N 51 109.286 109.286 107.046 2.240 17482 7463 1 13 . 1 1 51 51 GLY C C 51 175.251 175.251 175.465 -0.214 17482 7464 1 13 . 1 1 51 51 GLY CA C 51 45.913 45.913 46.297 -0.384 17482 7465 1 13 . 1 1 51 51 GLY H H 51 8.295 8.295 8.187 0.108 17482 7466 1 13 . 1 1 52 52 VAL N N 52 119.528 119.528 117.586 1.942 17482 7467 1 13 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.825 0.039 17482 7468 1 13 . 1 1 52 52 VAL C C 52 176.372 176.372 176.419 -0.047 17482 7469 1 13 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.777 -0.431 17482 7470 1 13 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.462 0.768 17482 7471 1 13 . 1 1 52 52 VAL H H 52 7.940 7.940 7.893 0.047 17482 7472 1 13 . 1 1 53 53 PHE N N 53 118.265 118.265 117.790 0.475 17482 7473 1 13 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.465 0.128 17482 7474 1 13 . 1 1 53 53 PHE C C 53 176.441 176.441 177.680 -1.239 17482 7475 1 13 . 1 1 53 53 PHE CA C 53 58.676 58.676 60.904 -2.228 17482 7476 1 13 . 1 1 53 53 PHE CB C 53 38.635 38.635 39.718 -1.083 17482 7477 1 13 . 1 1 53 53 PHE H H 53 8.046 8.046 8.053 -0.007 17482 7478 1 13 . 1 1 54 54 GLN N N 54 119.441 119.441 119.607 -0.166 17482 7479 1 13 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.098 0.073 17482 7480 1 13 . 1 1 54 54 GLN C C 54 177.166 177.166 178.872 -1.706 17482 7481 1 13 . 1 1 54 54 GLN CA C 54 57.549 57.549 58.924 -1.375 17482 7482 1 13 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.427 1.072 17482 7483 1 13 . 1 1 54 54 GLN H H 54 7.978 7.978 8.801 -0.823 17482 7484 1 13 . 1 1 55 55 GLY N N 55 107.822 107.822 108.076 -0.254 17482 7485 1 13 . 1 1 55 55 GLY C C 55 175.294 175.294 175.502 -0.208 17482 7486 1 13 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.909 -0.721 17482 7487 1 13 . 1 1 55 55 GLY H H 55 8.120 8.120 8.342 -0.222 17482 7488 1 13 . 1 1 56 56 VAL N N 56 119.174 119.174 121.416 -2.242 17482 7489 1 13 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.657 0.315 17482 7490 1 13 . 1 1 56 56 VAL C C 56 176.527 176.527 176.997 -0.470 17482 7491 1 13 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.448 -1.444 17482 7492 1 13 . 1 1 56 56 VAL CB C 56 32.192 32.192 32.108 0.083 17482 7493 1 13 . 1 1 56 56 VAL H H 56 7.774 7.774 7.703 0.071 17482 7494 1 13 . 1 1 57 57 HIS N N 57 119.221 119.221 118.539 0.682 17482 7495 1 13 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.517 0.025 17482 7496 1 13 . 1 1 57 57 HIS CA C 57 56.973 56.973 59.128 -2.155 17482 7497 1 13 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.395 -0.787 17482 7498 1 13 . 1 1 57 57 HIS H H 57 8.201 8.201 8.268 -0.067 17482 7499 1 13 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.277 0.303 17482 7500 1 13 . 1 1 58 58 ASP C C 58 177.097 177.097 178.118 -1.021 17482 7501 1 13 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.852 -1.831 17482 7502 1 13 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.567 0.669 17482 7503 1 13 . 1 1 59 59 SER N N 59 116.347 116.347 114.605 1.742 17482 7504 1 13 . 1 1 59 59 SER HA H 59 4.372 4.372 4.217 0.155 17482 7505 1 13 . 1 1 59 59 SER C C 59 175.087 175.087 175.480 -0.393 17482 7506 1 13 . 1 1 59 59 SER CA C 59 59.207 59.207 60.542 -1.335 17482 7507 1 13 . 1 1 59 59 SER CB C 59 63.780 63.780 63.098 0.682 17482 7508 1 13 . 1 1 59 59 SER H H 59 8.134 8.134 7.849 0.285 17482 7509 1 13 . 1 1 60 60 ALA N N 60 125.097 125.097 121.767 3.330 17482 7510 1 13 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.095 0.158 17482 7511 1 13 . 1 1 60 60 ALA C C 60 178.192 178.192 178.359 -0.167 17482 7512 1 13 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.012 -0.451 17482 7513 1 13 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.543 0.535 17482 7514 1 13 . 1 1 60 60 ALA H H 60 8.203 8.203 7.536 0.667 17482 7515 1 13 . 1 1 61 61 GLU N N 61 118.432 118.432 118.722 -0.290 17482 7516 1 13 . 1 1 61 61 GLU HA H 61 4.200 4.200 3.970 0.230 17482 7517 1 13 . 1 1 61 61 GLU C C 61 177.036 177.036 176.797 0.239 17482 7518 1 13 . 1 1 61 61 GLU CA C 61 57.224 57.224 58.047 -0.823 17482 7519 1 13 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.865 0.363 17482 7520 1 13 . 1 1 61 61 GLU H H 61 8.095 8.095 7.570 0.525 17482 7521 1 13 . 1 1 62 62 LYS N N 62 120.770 120.770 118.328 2.442 17482 7522 1 13 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.326 -0.029 17482 7523 1 13 . 1 1 62 62 LYS C C 62 177.450 177.450 176.255 1.195 17482 7524 1 13 . 1 1 62 62 LYS CA C 62 56.826 56.826 55.616 1.210 17482 7525 1 13 . 1 1 62 62 LYS CB C 62 32.943 32.943 33.562 -0.619 17482 7526 1 13 . 1 1 62 62 LYS H H 62 7.969 7.969 7.783 0.186 17482 7527 1 13 . 1 1 63 63 GLY N N 63 108.912 108.912 109.378 -0.466 17482 7528 1 13 . 1 1 63 63 GLY C C 63 174.432 174.432 174.318 0.114 17482 7529 1 13 . 1 1 63 63 GLY CA C 63 45.751 45.751 45.214 0.537 17482 7530 1 13 . 1 1 63 63 GLY H H 63 8.287 8.287 8.494 -0.207 17482 7531 1 13 . 1 1 64 64 LYS N N 64 120.529 120.529 119.196 1.333 17482 7532 1 13 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.161 0.137 17482 7533 1 13 . 1 1 64 64 LYS C C 64 176.622 176.622 174.628 1.994 17482 7534 1 13 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.915 -0.184 17482 7535 1 13 . 1 1 64 64 LYS CB C 64 33.117 33.117 32.683 0.434 17482 7536 1 13 . 1 1 64 64 LYS H H 64 8.019 8.019 7.782 0.237 17482 7537 1 13 . 1 1 65 65 ASP N N 65 120.673 120.673 118.875 1.798 17482 7538 1 13 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.815 -0.235 17482 7539 1 13 . 1 1 65 65 ASP C C 65 176.226 176.226 174.862 1.364 17482 7540 1 13 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.323 1.460 17482 7541 1 13 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.403 -1.231 17482 7542 1 13 . 1 1 65 65 ASP H H 65 8.296 8.296 8.279 0.017 17482 7543 1 13 . 1 1 66 66 ASN N N 66 118.902 118.902 119.179 -0.277 17482 7544 1 13 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.685 0.005 17482 7545 1 13 . 1 1 66 66 ASN C C 66 175.217 175.217 174.778 0.439 17482 7546 1 13 . 1 1 66 66 ASN CA C 66 53.475 53.475 53.073 0.402 17482 7547 1 13 . 1 1 66 66 ASN CB C 66 39.117 39.117 38.293 0.824 17482 7548 1 13 . 1 1 66 66 ASN H H 66 8.212 8.212 8.396 -0.184 17482 7549 1 13 . 1 1 67 67 ALA N N 67 124.149 124.149 127.960 -3.811 17482 7550 1 13 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.458 -0.158 17482 7551 1 13 . 1 1 67 67 ALA C C 67 177.890 177.890 176.986 0.904 17482 7552 1 13 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.231 0.822 17482 7553 1 13 . 1 1 67 67 ALA CB C 67 19.427 19.427 19.751 -0.324 17482 7554 1 13 . 1 1 67 67 ALA H H 67 8.212 8.212 8.073 0.139 17482 7555 1 13 . 1 1 68 68 GLU N N 68 119.216 119.216 121.676 -2.460 17482 7556 1 13 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.504 -0.233 17482 7557 1 13 . 1 1 68 68 GLU C C 68 177.243 177.243 175.546 1.697 17482 7558 1 13 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.520 0.277 17482 7559 1 13 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.000 0.159 17482 7560 1 13 . 1 1 68 68 GLU H H 68 8.286 8.286 8.514 -0.228 17482 7561 1 13 . 1 1 69 69 GLY N N 69 109.637 109.637 110.307 -0.670 17482 7562 1 13 . 1 1 69 69 GLY C C 69 174.371 174.371 173.614 0.757 17482 7563 1 13 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.222 0.412 17482 7564 1 13 . 1 1 69 69 GLY H H 69 8.293 8.293 8.081 0.212 17482 7565 1 13 . 1 1 70 70 GLN N N 70 119.629 119.629 117.468 2.161 17482 7566 1 13 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.105 0.288 17482 7567 1 13 . 1 1 70 70 GLN C C 70 176.502 176.502 175.146 1.356 17482 7568 1 13 . 1 1 70 70 GLN CA C 70 56.046 56.046 56.352 -0.306 17482 7569 1 13 . 1 1 70 70 GLN CB C 70 29.627 29.627 28.995 0.632 17482 7570 1 13 . 1 1 70 70 GLN H H 70 8.201 8.201 8.232 -0.031 17482 7571 1 13 . 1 1 71 71 GLY N N 71 109.977 109.977 108.072 1.905 17482 7572 1 13 . 1 1 71 71 GLY C C 71 173.992 173.992 173.376 0.616 17482 7573 1 13 . 1 1 71 71 GLY CA C 71 45.634 45.634 45.798 -0.164 17482 7574 1 13 . 1 1 71 71 GLY H H 71 8.424 8.424 8.733 -0.309 17482 7575 1 13 . 1 1 72 72 GLU N N 72 120.532 120.532 120.829 -0.297 17482 7576 1 13 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.553 -0.142 17482 7577 1 13 . 1 1 72 72 GLU C C 72 176.639 176.639 174.779 1.860 17482 7578 1 13 . 1 1 72 72 GLU CA C 72 56.618 56.618 55.922 0.696 17482 7579 1 13 . 1 1 72 72 GLU CB C 72 30.731 30.731 31.306 -0.575 17482 7580 1 13 . 1 1 72 72 GLU H H 72 8.244 8.244 8.353 -0.109 17482 7581 1 13 . 1 1 73 73 SER N N 73 117.827 117.827 123.149 -5.322 17482 7582 1 13 . 1 1 73 73 SER HA H 73 4.589 4.589 4.413 0.176 17482 7583 1 13 . 1 1 73 73 SER C C 73 175.475 175.475 175.485 -0.010 17482 7584 1 13 . 1 1 73 73 SER CA C 73 58.064 58.064 58.088 -0.024 17482 7585 1 13 . 1 1 73 73 SER CB C 73 64.761 64.761 63.330 1.431 17482 7586 1 13 . 1 1 73 73 SER H H 73 8.689 8.689 8.801 -0.112 17482 7587 1 13 . 1 1 74 74 LEU N N 74 124.414 124.414 128.359 -3.945 17482 7588 1 13 . 1 1 74 74 LEU HA H 74 4.201 4.201 3.989 0.212 17482 7589 1 13 . 1 1 74 74 LEU C C 74 178.735 178.735 177.913 0.822 17482 7590 1 13 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.238 0.657 17482 7591 1 13 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.704 0.230 17482 7592 1 13 . 1 1 74 74 LEU H H 74 8.514 8.514 8.506 0.008 17482 7593 1 13 . 1 1 75 75 ALA N N 75 120.291 120.291 119.964 0.327 17482 7594 1 13 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.981 0.009 17482 7595 1 13 . 1 1 75 75 ALA C C 75 179.046 179.046 180.068 -1.022 17482 7596 1 13 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.977 0.290 17482 7597 1 13 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.680 0.914 17482 7598 1 13 . 1 1 75 75 ALA H H 75 8.160 8.160 8.287 -0.127 17482 7599 1 13 . 1 1 76 76 ASP N N 76 117.288 117.288 117.278 0.010 17482 7600 1 13 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.539 -0.133 17482 7601 1 13 . 1 1 76 76 ASP C C 76 178.476 178.476 178.708 -0.232 17482 7602 1 13 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.950 0.183 17482 7603 1 13 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.098 -0.446 17482 7604 1 13 . 1 1 76 76 ASP H H 76 7.773 7.773 8.186 -0.413 17482 7605 1 13 . 1 1 77 77 GLN N N 77 119.454 119.454 119.010 0.444 17482 7606 1 13 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.151 0.011 17482 7607 1 13 . 1 1 77 77 GLN C C 77 178.037 178.037 178.060 -0.023 17482 7608 1 13 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.290 0.091 17482 7609 1 13 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.930 0.550 17482 7610 1 13 . 1 1 77 77 GLN H H 77 7.994 7.994 7.771 0.223 17482 7611 1 13 . 1 1 78 78 ALA N N 78 121.577 121.577 123.216 -1.639 17482 7612 1 13 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.167 -0.018 17482 7613 1 13 . 1 1 78 78 ALA C C 78 178.977 178.977 179.528 -0.551 17482 7614 1 13 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.281 -0.150 17482 7615 1 13 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.254 0.401 17482 7616 1 13 . 1 1 78 78 ALA H H 78 8.498 8.498 8.546 -0.048 17482 7617 1 13 . 1 1 79 79 ARG N N 79 117.138 117.138 118.534 -1.396 17482 7618 1 13 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.037 -0.025 17482 7619 1 13 . 1 1 79 79 ARG C C 79 175.449 175.449 178.807 -3.358 17482 7620 1 13 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.070 0.433 17482 7621 1 13 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.691 0.455 17482 7622 1 13 . 1 1 79 79 ARG H H 79 8.101 8.101 7.777 0.324 17482 7623 1 13 . 1 1 80 80 ASP N N 80 120.784 120.784 119.690 1.094 17482 7624 1 13 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.525 -0.012 17482 7625 1 13 . 1 1 80 80 ASP C C 80 178.882 178.882 178.489 0.393 17482 7626 1 13 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.246 -0.370 17482 7627 1 13 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.032 -0.704 17482 7628 1 13 . 1 1 80 80 ASP H H 80 8.000 8.000 7.649 0.351 17482 7629 1 13 . 1 1 81 81 TYR N N 81 120.298 120.298 121.956 -1.658 17482 7630 1 13 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.297 0.134 17482 7631 1 13 . 1 1 81 81 TYR C C 81 177.855 177.855 177.783 0.072 17482 7632 1 13 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.470 0.364 17482 7633 1 13 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.574 -0.096 17482 7634 1 13 . 1 1 81 81 TYR H H 81 8.127 8.127 7.593 0.534 17482 7635 1 13 . 1 1 82 82 MET N N 82 118.452 118.452 118.002 0.450 17482 7636 1 13 . 1 1 82 82 MET HA H 82 4.239 4.239 3.905 0.334 17482 7637 1 13 . 1 1 82 82 MET C C 82 178.175 178.175 178.863 -0.688 17482 7638 1 13 . 1 1 82 82 MET CA C 82 58.757 58.757 58.556 0.201 17482 7639 1 13 . 1 1 82 82 MET CB C 82 32.631 32.631 31.906 0.725 17482 7640 1 13 . 1 1 82 82 MET H H 82 8.382 8.382 8.890 -0.508 17482 7641 1 13 . 1 1 83 83 GLY N N 83 106.740 106.740 105.617 1.123 17482 7642 1 13 . 1 1 83 83 GLY C C 83 176.717 176.717 175.284 1.433 17482 7643 1 13 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.064 0.267 17482 7644 1 13 . 1 1 83 83 GLY H H 83 8.308 8.308 7.954 0.354 17482 7645 1 13 . 1 1 84 84 ALA N N 84 125.357 125.357 124.645 0.712 17482 7646 1 13 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.121 0.166 17482 7647 1 13 . 1 1 84 84 ALA C C 84 180.149 180.149 179.294 0.855 17482 7648 1 13 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.864 -0.216 17482 7649 1 13 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.343 0.198 17482 7650 1 13 . 1 1 84 84 ALA H H 84 7.905 7.905 7.720 0.185 17482 7651 1 13 . 1 1 85 85 ALA N N 85 121.332 121.332 120.484 0.848 17482 7652 1 13 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.907 0.118 17482 7653 1 13 . 1 1 85 85 ALA C C 85 178.847 178.847 179.870 -1.023 17482 7654 1 13 . 1 1 85 85 ALA CA C 85 55.283 55.283 55.074 0.209 17482 7655 1 13 . 1 1 85 85 ALA CB C 85 18.487 18.487 17.890 0.597 17482 7656 1 13 . 1 1 85 85 ALA H H 85 8.341 8.341 8.101 0.240 17482 7657 1 13 . 1 1 86 86 LYS N N 86 116.980 116.980 118.648 -1.668 17482 7658 1 13 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.952 -0.080 17482 7659 1 13 . 1 1 86 86 LYS C C 86 178.485 178.485 178.933 -0.448 17482 7660 1 13 . 1 1 86 86 LYS CA C 86 60.193 60.193 58.917 1.276 17482 7661 1 13 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.656 0.675 17482 7662 1 13 . 1 1 86 86 LYS H H 86 8.360 8.360 7.620 0.740 17482 7663 1 13 . 1 1 87 87 SER N N 87 113.632 113.632 114.926 -1.294 17482 7664 1 13 . 1 1 87 87 SER HA H 87 4.299 4.299 4.097 0.202 17482 7665 1 13 . 1 1 87 87 SER C C 87 176.467 176.467 176.648 -0.181 17482 7666 1 13 . 1 1 87 87 SER CA C 87 61.614 61.614 61.719 -0.105 17482 7667 1 13 . 1 1 87 87 SER CB C 87 63.064 63.064 62.981 0.083 17482 7668 1 13 . 1 1 87 87 SER H H 87 7.863 7.863 7.765 0.098 17482 7669 1 13 . 1 1 88 88 LYS N N 88 120.925 120.925 121.295 -0.370 17482 7670 1 13 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.037 0.308 17482 7671 1 13 . 1 1 88 88 LYS C C 88 178.502 178.502 178.965 -0.463 17482 7672 1 13 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.596 -0.900 17482 7673 1 13 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.174 -0.163 17482 7674 1 13 . 1 1 88 88 LYS H H 88 7.843 7.843 7.952 -0.109 17482 7675 1 13 . 1 1 89 89 LEU N N 89 119.955 119.955 121.015 -1.060 17482 7676 1 13 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.914 0.191 17482 7677 1 13 . 1 1 89 89 LEU C C 89 178.209 178.209 178.511 -0.302 17482 7678 1 13 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.024 0.173 17482 7679 1 13 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.590 0.041 17482 7680 1 13 . 1 1 89 89 LEU H H 89 8.174 8.174 8.432 -0.258 17482 7681 1 13 . 1 1 90 90 ASN N N 90 117.013 117.013 116.481 0.532 17482 7682 1 13 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.386 0.007 17482 7683 1 13 . 1 1 90 90 ASN C C 90 174.164 174.164 177.624 -3.460 17482 7684 1 13 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.673 0.493 17482 7685 1 13 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.154 0.798 17482 7686 1 13 . 1 1 90 90 ASN H H 90 8.223 8.223 8.281 -0.058 17482 7687 1 13 . 1 1 91 91 ASP N N 91 119.959 119.959 118.835 1.124 17482 7688 1 13 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.441 0.016 17482 7689 1 13 . 1 1 91 91 ASP C C 91 178.804 178.804 177.515 1.289 17482 7690 1 13 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.022 0.416 17482 7691 1 13 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.677 -0.498 17482 7692 1 13 . 1 1 91 91 ASP H H 91 8.043 8.043 7.481 0.562 17482 7693 1 13 . 1 1 92 92 ALA N N 92 123.900 123.900 122.559 1.341 17482 7694 1 13 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.285 -0.082 17482 7695 1 13 . 1 1 92 92 ALA C C 92 178.951 178.951 179.603 -0.652 17482 7696 1 13 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.987 0.550 17482 7697 1 13 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.766 -0.262 17482 7698 1 13 . 1 1 92 92 ALA H H 92 8.256 8.256 7.628 0.628 17482 7699 1 13 . 1 1 93 93 VAL N N 93 118.228 118.228 119.578 -1.350 17482 7700 1 13 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.554 0.040 17482 7701 1 13 . 1 1 93 93 VAL C C 93 178.761 178.761 178.118 0.643 17482 7702 1 13 . 1 1 93 93 VAL CA C 93 67.157 67.157 66.762 0.395 17482 7703 1 13 . 1 1 93 93 VAL CB C 93 31.795 31.795 30.431 1.364 17482 7704 1 13 . 1 1 93 93 VAL H H 93 8.449 8.449 8.683 -0.234 17482 7705 1 13 . 1 1 94 94 GLU N N 94 120.485 120.485 119.425 1.060 17482 7706 1 13 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.961 0.084 17482 7707 1 13 . 1 1 94 94 GLU C C 94 179.347 179.347 179.366 -0.019 17482 7708 1 13 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.088 -0.457 17482 7709 1 13 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.535 -0.004 17482 7710 1 13 . 1 1 94 94 GLU H H 94 8.175 8.175 7.858 0.317 17482 7711 1 13 . 1 1 95 95 TYR N N 95 120.806 120.806 119.640 1.166 17482 7712 1 13 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.267 -0.039 17482 7713 1 13 . 1 1 95 95 TYR C C 95 178.407 178.407 177.738 0.669 17482 7714 1 13 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.302 0.259 17482 7715 1 13 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.584 0.047 17482 7716 1 13 . 1 1 95 95 TYR H H 95 8.197 8.197 7.385 0.812 17482 7717 1 13 . 1 1 96 96 VAL N N 96 118.584 118.584 119.612 -1.028 17482 7718 1 13 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.567 -0.084 17482 7719 1 13 . 1 1 96 96 VAL C C 96 177.752 177.752 178.118 -0.366 17482 7720 1 13 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.171 -0.491 17482 7721 1 13 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.521 0.501 17482 7722 1 13 . 1 1 96 96 VAL H H 96 8.525 8.525 8.618 -0.093 17482 7723 1 13 . 1 1 97 97 SER N N 97 114.566 114.566 114.818 -0.252 17482 7724 1 13 . 1 1 97 97 SER HA H 97 4.080 4.080 4.239 -0.159 17482 7725 1 13 . 1 1 97 97 SER C C 97 176.803 176.803 177.151 -0.348 17482 7726 1 13 . 1 1 97 97 SER CA C 97 61.800 61.800 62.232 -0.432 17482 7727 1 13 . 1 1 97 97 SER CB C 97 63.258 63.258 62.808 0.450 17482 7728 1 13 . 1 1 97 97 SER H H 97 8.642 8.642 8.877 -0.235 17482 7729 1 13 . 1 1 98 98 GLY N N 98 107.586 107.586 107.361 0.225 17482 7730 1 13 . 1 1 98 98 GLY C C 98 175.553 175.553 175.081 0.472 17482 7731 1 13 . 1 1 98 98 GLY CA C 98 46.556 46.556 46.057 0.499 17482 7732 1 13 . 1 1 98 98 GLY H H 98 7.926 7.926 7.728 0.198 17482 7733 1 13 . 1 1 99 99 ARG N N 99 119.948 119.948 120.819 -0.871 17482 7734 1 13 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.134 0.069 17482 7735 1 13 . 1 1 99 99 ARG C C 99 177.830 177.830 178.772 -0.942 17482 7736 1 13 . 1 1 99 99 ARG CA C 99 57.129 57.129 58.172 -1.043 17482 7737 1 13 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.613 -0.401 17482 7738 1 13 . 1 1 99 99 ARG H H 99 7.611 7.611 7.461 0.150 17482 7739 1 13 . 1 1 100 100 VAL N N 100 116.709 116.709 118.676 -1.967 17482 7740 1 13 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.671 0.269 17482 7741 1 13 . 1 1 100 100 VAL C C 100 176.381 176.381 177.293 -0.912 17482 7742 1 13 . 1 1 100 100 VAL CA C 100 63.931 63.931 66.190 -2.259 17482 7743 1 13 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.855 0.476 17482 7744 1 13 . 1 1 100 100 VAL H H 100 7.906 7.906 8.371 -0.465 17482 7745 1 13 . 1 1 101 101 HIS N N 101 117.584 117.584 117.017 0.567 17482 7746 1 13 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.607 0.168 17482 7747 1 13 . 1 1 101 101 HIS C C 101 175.484 175.484 175.253 0.231 17482 7748 1 13 . 1 1 101 101 HIS CA C 101 55.862 55.862 55.923 -0.061 17482 7749 1 13 . 1 1 101 101 HIS CB C 101 29.517 29.517 31.460 -1.943 17482 7750 1 13 . 1 1 101 101 HIS H H 101 8.061 8.061 7.745 0.316 17482 7751 1 13 . 1 1 102 102 GLY N N 102 109.164 109.164 107.010 2.154 17482 7752 1 13 . 1 1 102 102 GLY C C 102 174.121 174.121 173.271 0.850 17482 7753 1 13 . 1 1 102 102 GLY CA C 102 45.719 45.719 44.838 0.881 17482 7754 1 13 . 1 1 102 102 GLY H H 102 7.990 7.990 7.615 0.375 17482 7755 1 13 . 1 1 103 103 GLU N N 103 120.493 120.493 122.684 -2.191 17482 7756 1 13 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.338 -0.023 17482 7757 1 13 . 1 1 103 103 GLU C C 103 176.467 176.467 174.787 1.680 17482 7758 1 13 . 1 1 103 103 GLU CA C 103 56.451 56.451 56.300 0.151 17482 7759 1 13 . 1 1 103 103 GLU CB C 103 30.731 30.731 32.097 -1.366 17482 7760 1 13 . 1 1 103 103 GLU H H 103 8.320 8.320 8.389 -0.069 17482 7761 1 13 . 1 1 104 104 GLU N N 104 122.018 122.018 121.078 0.940 17482 7762 1 13 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.448 -0.185 17482 7763 1 13 . 1 1 104 104 GLU C C 104 175.820 175.820 174.785 1.035 17482 7764 1 13 . 1 1 104 104 GLU CA C 104 56.480 56.480 55.979 0.501 17482 7765 1 13 . 1 1 104 104 GLU CB C 104 30.654 30.654 31.225 -0.571 17482 7766 1 13 . 1 1 104 104 GLU H H 104 8.358 8.358 7.978 0.380 17482 7767 1 13 . 1 1 105 105 ASP N N 105 122.625 122.625 121.677 0.948 17482 7768 1 13 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.715 0.183 17482 7769 1 13 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.758 -2.030 17482 7770 1 13 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.039 0.575 17482 7771 1 13 . 1 1 105 105 ASP H H 105 8.350 8.350 8.221 0.129 17482 7772 1 13 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.453 0.013 17482 7773 1 13 . 1 1 106 106 PRO C C 106 177.605 177.605 175.925 1.680 17482 7774 1 13 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.373 0.548 17482 7775 1 13 . 1 1 106 106 PRO CB C 106 32.296 32.296 31.902 0.394 17482 7776 1 13 . 1 1 107 107 THR N N 107 111.954 111.954 117.291 -5.337 17482 7777 1 13 . 1 1 107 107 THR HA H 107 4.281 4.281 4.339 -0.058 17482 7778 1 13 . 1 1 107 107 THR C C 107 174.889 174.889 174.616 0.273 17482 7779 1 13 . 1 1 107 107 THR CA C 107 62.896 62.896 62.238 0.658 17482 7780 1 13 . 1 1 107 107 THR CB C 107 69.593 69.593 69.557 0.036 17482 7781 1 13 . 1 1 107 107 THR H H 107 8.355 8.355 8.411 -0.056 17482 7782 1 13 . 1 1 108 108 LYS N N 108 123.177 123.177 123.733 -0.556 17482 7783 1 13 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.188 0.167 17482 7784 1 13 . 1 1 108 108 LYS C C 108 175.406 175.406 176.847 -1.441 17482 7785 1 13 . 1 1 108 108 LYS CA C 108 56.252 56.252 56.790 -0.538 17482 7786 1 13 . 1 1 108 108 LYS CB C 108 32.964 32.964 32.685 0.279 17482 7787 1 13 . 1 1 108 108 LYS H H 108 7.739 7.739 8.290 -0.551 17482 7788 1 14 . 1 1 2 2 SER HA H 2 4.546 4.546 4.816 -0.270 17482 7789 1 14 . 1 1 2 2 SER CA C 2 58.499 58.499 57.973 0.526 17482 7790 1 14 . 1 1 2 2 SER CB C 2 64.011 64.011 64.010 0.001 17482 7791 1 14 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.957 -0.355 17482 7792 1 14 . 1 1 3 3 ASP C C 3 176.010 176.010 176.146 -0.136 17482 7793 1 14 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.172 1.564 17482 7794 1 14 . 1 1 3 3 ASP CB C 3 41.269 41.269 42.093 -0.824 17482 7795 1 14 . 1 1 4 4 ALA N N 4 123.253 123.253 122.280 0.973 17482 7796 1 14 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.320 0.006 17482 7797 1 14 . 1 1 4 4 ALA C C 4 178.097 178.097 177.585 0.512 17482 7798 1 14 . 1 1 4 4 ALA CA C 4 52.847 52.847 51.977 0.870 17482 7799 1 14 . 1 1 4 4 ALA CB C 4 19.323 19.323 19.338 -0.015 17482 7800 1 14 . 1 1 4 4 ALA H H 4 8.095 8.095 8.201 -0.106 17482 7801 1 14 . 1 1 5 5 GLY N N 5 107.651 107.651 105.699 1.952 17482 7802 1 14 . 1 1 5 5 GLY C C 5 174.828 174.828 174.123 0.705 17482 7803 1 14 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.529 0.919 17482 7804 1 14 . 1 1 5 5 GLY H H 5 8.167 8.167 8.263 -0.096 17482 7805 1 14 . 1 1 6 6 ARG N N 6 120.230 120.230 119.206 1.024 17482 7806 1 14 . 1 1 6 6 ARG HA H 6 4.349 4.349 3.978 0.371 17482 7807 1 14 . 1 1 6 6 ARG C C 6 176.562 176.562 175.214 1.348 17482 7808 1 14 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.925 -0.526 17482 7809 1 14 . 1 1 6 6 ARG CB C 6 30.831 30.831 30.695 0.136 17482 7810 1 14 . 1 1 6 6 ARG H H 6 8.060 8.060 8.371 -0.311 17482 7811 1 14 . 1 1 7 7 LYS N N 7 121.076 121.076 116.184 4.892 17482 7812 1 14 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.083 0.174 17482 7813 1 14 . 1 1 7 7 LYS C C 7 177.010 177.010 177.444 -0.434 17482 7814 1 14 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.962 -0.042 17482 7815 1 14 . 1 1 7 7 LYS CB C 7 32.831 32.831 32.413 0.418 17482 7816 1 14 . 1 1 7 7 LYS H H 7 8.181 8.181 8.320 -0.139 17482 7817 1 14 . 1 1 8 8 GLY N N 8 108.196 108.196 107.981 0.215 17482 7818 1 14 . 1 1 8 8 GLY C C 8 174.828 174.828 175.598 -0.770 17482 7819 1 14 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.475 -0.646 17482 7820 1 14 . 1 1 8 8 GLY H H 8 8.141 8.141 8.519 -0.378 17482 7821 1 14 . 1 1 9 9 PHE N N 9 120.374 120.374 122.710 -2.336 17482 7822 1 14 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.689 -0.297 17482 7823 1 14 . 1 1 9 9 PHE C C 9 176.898 176.898 176.847 0.051 17482 7824 1 14 . 1 1 9 9 PHE CA C 9 59.980 59.980 59.197 0.783 17482 7825 1 14 . 1 1 9 9 PHE CB C 9 39.553 39.553 38.945 0.608 17482 7826 1 14 . 1 1 9 9 PHE H H 9 8.072 8.072 8.394 -0.322 17482 7827 1 14 . 1 1 10 10 GLY N N 10 107.944 107.944 108.236 -0.292 17482 7828 1 14 . 1 1 10 10 GLY C C 10 175.441 175.441 176.251 -0.810 17482 7829 1 14 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.283 -0.461 17482 7830 1 14 . 1 1 10 10 GLY H H 10 8.431 8.431 8.596 -0.165 17482 7831 1 14 . 1 1 11 11 GLU N N 11 121.098 121.098 121.690 -0.592 17482 7832 1 14 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.016 0.084 17482 7833 1 14 . 1 1 11 11 GLU C C 11 175.234 175.234 179.300 -4.066 17482 7834 1 14 . 1 1 11 11 GLU CA C 11 58.971 58.971 60.125 -1.154 17482 7835 1 14 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.434 0.464 17482 7836 1 14 . 1 1 11 11 GLU H H 11 8.003 8.003 8.691 -0.688 17482 7837 1 14 . 1 1 12 12 LYS N N 12 119.103 119.103 118.335 0.768 17482 7838 1 14 . 1 1 12 12 LYS HA H 12 4.144 4.144 3.959 0.185 17482 7839 1 14 . 1 1 12 12 LYS C C 12 178.520 178.520 178.948 -0.428 17482 7840 1 14 . 1 1 12 12 LYS CA C 12 58.337 58.337 59.164 -0.827 17482 7841 1 14 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.078 0.316 17482 7842 1 14 . 1 1 12 12 LYS H H 12 7.930 7.930 7.594 0.336 17482 7843 1 14 . 1 1 13 13 ALA N N 13 121.534 121.534 122.362 -0.828 17482 7844 1 14 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.940 0.071 17482 7845 1 14 . 1 1 13 13 ALA C C 13 178.364 178.364 179.957 -1.593 17482 7846 1 14 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.149 -0.421 17482 7847 1 14 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.999 0.461 17482 7848 1 14 . 1 1 13 13 ALA H H 13 8.216 8.216 8.402 -0.186 17482 7849 1 14 . 1 1 14 14 SER N N 14 111.263 111.263 112.564 -1.301 17482 7850 1 14 . 1 1 14 14 SER HA H 14 4.114 4.114 4.161 -0.047 17482 7851 1 14 . 1 1 14 14 SER C C 14 176.148 176.148 176.859 -0.711 17482 7852 1 14 . 1 1 14 14 SER CA C 14 61.159 61.159 62.229 -1.070 17482 7853 1 14 . 1 1 14 14 SER CB C 14 63.250 63.250 62.979 0.271 17482 7854 1 14 . 1 1 14 14 SER H H 14 8.000 8.000 8.169 -0.170 17482 7855 1 14 . 1 1 15 15 GLU N N 15 119.902 119.902 120.069 -0.167 17482 7856 1 14 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.106 0.060 17482 7857 1 14 . 1 1 15 15 GLU C C 15 177.493 177.493 177.859 -0.366 17482 7858 1 14 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.770 -0.757 17482 7859 1 14 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.546 0.395 17482 7860 1 14 . 1 1 15 15 GLU H H 15 7.724 7.724 7.399 0.325 17482 7861 1 14 . 1 1 16 16 ALA N N 16 120.687 120.687 122.387 -1.700 17482 7862 1 14 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.020 0.241 17482 7863 1 14 . 1 1 16 16 ALA C C 16 177.933 177.933 179.146 -1.213 17482 7864 1 14 . 1 1 16 16 ALA CA C 16 53.775 53.775 55.002 -1.227 17482 7865 1 14 . 1 1 16 16 ALA CB C 16 19.544 19.544 18.979 0.565 17482 7866 1 14 . 1 1 16 16 ALA H H 16 7.726 7.726 8.105 -0.379 17482 7867 1 14 . 1 1 17 17 LEU N N 17 116.559 116.559 116.132 0.427 17482 7868 1 14 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.137 0.222 17482 7869 1 14 . 1 1 17 17 LEU C C 17 176.277 176.277 177.632 -1.355 17482 7870 1 14 . 1 1 17 17 LEU CA C 17 54.934 54.934 57.032 -2.098 17482 7871 1 14 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.572 0.992 17482 7872 1 14 . 1 1 17 17 LEU H H 17 7.634 7.634 7.542 0.092 17482 7873 1 14 . 1 1 18 18 LYS N N 18 120.269 120.269 119.439 0.830 17482 7874 1 14 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.353 0.214 17482 7875 1 14 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.483 -0.995 17482 7876 1 14 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.476 0.044 17482 7877 1 14 . 1 1 18 18 LYS H H 18 7.761 7.761 7.528 0.233 17482 7878 1 14 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.429 0.014 17482 7879 1 14 . 1 1 19 19 PRO C C 19 176.984 176.984 175.892 1.092 17482 7880 1 14 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.011 0.822 17482 7881 1 14 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.429 -0.182 17482 7882 1 14 . 1 1 20 20 ASP N N 20 119.103 119.103 117.744 1.359 17482 7883 1 14 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.765 -0.163 17482 7884 1 14 . 1 1 20 20 ASP C C 20 176.639 176.639 174.767 1.872 17482 7885 1 14 . 1 1 20 20 ASP CA C 20 54.497 54.497 53.864 0.633 17482 7886 1 14 . 1 1 20 20 ASP CB C 20 41.231 41.231 43.054 -1.823 17482 7887 1 14 . 1 1 20 20 ASP H H 20 8.383 8.383 8.246 0.137 17482 7888 1 14 . 1 1 21 21 SER N N 21 115.970 115.970 115.246 0.724 17482 7889 1 14 . 1 1 21 21 SER HA H 21 4.376 4.376 4.799 -0.423 17482 7890 1 14 . 1 1 21 21 SER C C 21 174.889 174.889 173.645 1.244 17482 7891 1 14 . 1 1 21 21 SER CA C 21 59.093 59.093 58.103 0.990 17482 7892 1 14 . 1 1 21 21 SER CB C 21 63.860 63.860 63.285 0.575 17482 7893 1 14 . 1 1 21 21 SER H H 21 8.054 8.054 8.345 -0.291 17482 7894 1 14 . 1 1 22 22 GLN N N 22 120.766 120.766 121.136 -0.370 17482 7895 1 14 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.354 -0.076 17482 7896 1 14 . 1 1 22 22 GLN C C 22 175.984 175.984 174.043 1.941 17482 7897 1 14 . 1 1 22 22 GLN CA C 22 56.739 56.739 55.110 1.629 17482 7898 1 14 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.273 -0.081 17482 7899 1 14 . 1 1 22 22 GLN H H 22 8.452 8.452 7.880 0.572 17482 7900 1 14 . 1 1 23 23 LYS N N 23 120.410 120.410 120.366 0.044 17482 7901 1 14 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.303 0.034 17482 7902 1 14 . 1 1 23 23 LYS C C 23 176.191 176.191 177.586 -1.395 17482 7903 1 14 . 1 1 23 23 LYS CA C 23 56.208 56.208 57.204 -0.996 17482 7904 1 14 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.710 1.026 17482 7905 1 14 . 1 1 23 23 LYS H H 23 7.935 7.935 8.390 -0.455 17482 7906 1 14 . 1 1 24 24 SER N N 24 117.302 117.302 119.425 -2.123 17482 7907 1 14 . 1 1 24 24 SER HA H 24 4.492 4.492 4.314 0.178 17482 7908 1 14 . 1 1 24 24 SER C C 24 175.717 175.717 175.848 -0.131 17482 7909 1 14 . 1 1 24 24 SER CA C 24 58.145 58.145 58.550 -0.404 17482 7910 1 14 . 1 1 24 24 SER CB C 24 63.815 63.815 63.230 0.585 17482 7911 1 14 . 1 1 24 24 SER H H 24 8.365 8.365 8.991 -0.626 17482 7912 1 14 . 1 1 25 25 TYR N N 25 121.904 121.904 121.740 0.164 17482 7913 1 14 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.353 0.029 17482 7914 1 14 . 1 1 25 25 TYR C C 25 177.752 177.752 177.235 0.517 17482 7915 1 14 . 1 1 25 25 TYR CA C 25 60.945 60.945 60.769 0.176 17482 7916 1 14 . 1 1 25 25 TYR CB C 25 37.821 37.821 38.017 -0.196 17482 7917 1 14 . 1 1 25 25 TYR H H 25 8.205 8.205 8.312 -0.107 17482 7918 1 14 . 1 1 26 26 ALA N N 26 121.123 121.123 120.984 0.139 17482 7919 1 14 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.953 0.104 17482 7920 1 14 . 1 1 26 26 ALA C C 26 179.037 179.037 179.940 -0.903 17482 7921 1 14 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.422 0.115 17482 7922 1 14 . 1 1 26 26 ALA CB C 26 18.474 18.474 17.977 0.497 17482 7923 1 14 . 1 1 26 26 ALA H H 26 8.233 8.233 7.818 0.415 17482 7924 1 14 . 1 1 27 27 GLU N N 27 117.313 117.313 117.999 -0.686 17482 7925 1 14 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.081 -0.064 17482 7926 1 14 . 1 1 27 27 GLU C C 27 179.166 179.166 179.007 0.159 17482 7927 1 14 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.041 0.437 17482 7928 1 14 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.718 0.148 17482 7929 1 14 . 1 1 27 27 GLU H H 27 7.922 7.922 7.876 0.046 17482 7930 1 14 . 1 1 28 28 GLN N N 28 118.602 118.602 119.010 -0.408 17482 7931 1 14 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.991 0.197 17482 7932 1 14 . 1 1 28 28 GLN C C 28 179.132 179.132 178.818 0.314 17482 7933 1 14 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.725 0.120 17482 7934 1 14 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.523 0.859 17482 7935 1 14 . 1 1 28 28 GLN H H 28 8.179 8.179 7.746 0.433 17482 7936 1 14 . 1 1 29 29 GLY N N 29 107.984 107.984 107.074 0.910 17482 7937 1 14 . 1 1 29 29 GLY C C 29 174.518 174.518 175.735 -1.217 17482 7938 1 14 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.819 0.767 17482 7939 1 14 . 1 1 29 29 GLY H H 29 8.804 8.804 8.708 0.096 17482 7940 1 14 . 1 1 30 30 LYS N N 30 121.339 121.339 122.280 -0.941 17482 7941 1 14 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.941 0.020 17482 7942 1 14 . 1 1 30 30 LYS C C 30 178.925 178.925 179.326 -0.401 17482 7943 1 14 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.167 0.233 17482 7944 1 14 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.303 0.124 17482 7945 1 14 . 1 1 30 30 LYS H H 30 8.406 8.406 7.488 0.918 17482 7946 1 14 . 1 1 31 31 GLU N N 31 119.880 119.880 118.366 1.514 17482 7947 1 14 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.158 -0.118 17482 7948 1 14 . 1 1 31 31 GLU C C 31 177.761 177.761 179.154 -1.393 17482 7949 1 14 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.532 0.999 17482 7950 1 14 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.120 0.411 17482 7951 1 14 . 1 1 31 31 GLU H H 31 8.090 8.090 8.229 -0.139 17482 7952 1 14 . 1 1 32 32 TYR N N 32 119.786 119.786 121.600 -1.814 17482 7953 1 14 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.186 0.085 17482 7954 1 14 . 1 1 32 32 TYR C C 32 178.054 178.054 177.573 0.481 17482 7955 1 14 . 1 1 32 32 TYR CA C 32 61.720 61.720 62.224 -0.504 17482 7956 1 14 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.291 0.640 17482 7957 1 14 . 1 1 32 32 TYR H H 32 8.052 8.052 7.741 0.311 17482 7958 1 14 . 1 1 33 33 ILE N N 33 116.856 116.856 118.424 -1.568 17482 7959 1 14 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.651 0.141 17482 7960 1 14 . 1 1 33 33 ILE C C 33 177.519 177.519 178.152 -0.633 17482 7961 1 14 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.999 -1.980 17482 7962 1 14 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.732 0.379 17482 7963 1 14 . 1 1 33 33 ILE H H 33 8.249 8.249 8.175 0.074 17482 7964 1 14 . 1 1 34 34 THR N N 34 114.203 114.203 113.569 0.634 17482 7965 1 14 . 1 1 34 34 THR HA H 34 3.934 3.934 3.800 0.134 17482 7966 1 14 . 1 1 34 34 THR C C 34 176.579 176.579 176.825 -0.246 17482 7967 1 14 . 1 1 34 34 THR CA C 34 66.459 66.459 66.501 -0.042 17482 7968 1 14 . 1 1 34 34 THR CB C 34 68.845 68.845 67.929 0.916 17482 7969 1 14 . 1 1 34 34 THR H H 34 8.254 8.254 7.746 0.508 17482 7970 1 14 . 1 1 35 35 ASP N N 35 121.116 121.116 121.054 0.062 17482 7971 1 14 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.361 0.135 17482 7972 1 14 . 1 1 35 35 ASP C C 35 177.933 177.933 178.470 -0.537 17482 7973 1 14 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.257 -0.195 17482 7974 1 14 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.573 1.255 17482 7975 1 14 . 1 1 35 35 ASP H H 35 7.880 7.880 8.089 -0.209 17482 7976 1 14 . 1 1 36 36 LYS N N 36 116.457 116.457 118.890 -2.433 17482 7977 1 14 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.076 0.081 17482 7978 1 14 . 1 1 36 36 LYS C C 36 177.968 177.968 178.725 -0.757 17482 7979 1 14 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.688 -1.817 17482 7980 1 14 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.332 -0.419 17482 7981 1 14 . 1 1 36 36 LYS H H 36 7.677 7.677 7.647 0.030 17482 7982 1 14 . 1 1 37 37 ALA N N 37 121.588 121.588 121.803 -0.215 17482 7983 1 14 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.117 -0.112 17482 7984 1 14 . 1 1 37 37 ALA C C 37 178.795 178.795 179.999 -1.204 17482 7985 1 14 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.956 0.374 17482 7986 1 14 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.195 0.279 17482 7987 1 14 . 1 1 37 37 ALA H H 37 8.296 8.296 8.251 0.045 17482 7988 1 14 . 1 1 38 38 ASP N N 38 116.490 116.490 119.014 -2.524 17482 7989 1 14 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.522 -0.113 17482 7990 1 14 . 1 1 38 38 ASP C C 38 178.347 178.347 178.533 -0.186 17482 7991 1 14 . 1 1 38 38 ASP CA C 38 56.729 56.729 56.792 -0.063 17482 7992 1 14 . 1 1 38 38 ASP CB C 38 41.048 41.048 40.955 0.094 17482 7993 1 14 . 1 1 38 38 ASP H H 38 8.046 8.046 7.977 0.069 17482 7994 1 14 . 1 1 39 39 LYS N N 39 118.627 118.627 120.359 -1.732 17482 7995 1 14 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.055 0.093 17482 7996 1 14 . 1 1 39 39 LYS C C 39 178.588 178.588 179.110 -0.522 17482 7997 1 14 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.639 -1.413 17482 7998 1 14 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.636 0.021 17482 7999 1 14 . 1 1 39 39 LYS H H 39 7.757 7.757 7.757 0.000 17482 8000 1 14 . 1 1 40 40 VAL N N 40 116.146 116.146 118.838 -2.692 17482 8001 1 14 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.756 0.153 17482 8002 1 14 . 1 1 40 40 VAL C C 40 176.683 176.683 177.028 -0.345 17482 8003 1 14 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.926 -1.518 17482 8004 1 14 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.866 0.468 17482 8005 1 14 . 1 1 40 40 VAL H H 40 7.792 7.792 7.984 -0.192 17482 8006 1 14 . 1 1 41 41 ALA N N 41 122.561 122.561 121.141 1.420 17482 8007 1 14 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.221 -0.098 17482 8008 1 14 . 1 1 41 41 ALA C C 41 179.106 179.106 178.729 0.377 17482 8009 1 14 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.612 -0.083 17482 8010 1 14 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.552 0.049 17482 8011 1 14 . 1 1 41 41 ALA H H 41 8.094 8.094 7.490 0.604 17482 8012 1 14 . 1 1 42 42 GLY N N 42 105.072 105.072 105.233 -0.161 17482 8013 1 14 . 1 1 42 42 GLY C C 42 174.941 174.941 175.958 -1.017 17482 8014 1 14 . 1 1 42 42 GLY CA C 42 46.027 46.027 45.840 0.188 17482 8015 1 14 . 1 1 42 42 GLY H H 42 8.044 8.044 7.890 0.154 17482 8016 1 14 . 1 1 43 43 LYS N N 43 119.123 119.123 118.974 0.149 17482 8017 1 14 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.279 0.062 17482 8018 1 14 . 1 1 43 43 LYS C C 43 176.631 176.631 176.967 -0.336 17482 8019 1 14 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.348 0.449 17482 8020 1 14 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.580 0.816 17482 8021 1 14 . 1 1 43 43 LYS H H 43 7.834 7.834 8.013 -0.179 17482 8022 1 14 . 1 1 44 44 VAL N N 44 116.413 116.413 121.915 -5.502 17482 8023 1 14 . 1 1 44 44 VAL HA H 44 4.146 4.146 3.962 0.184 17482 8024 1 14 . 1 1 44 44 VAL C C 44 175.018 175.018 175.239 -0.221 17482 8025 1 14 . 1 1 44 44 VAL CA C 44 62.331 62.331 62.493 -0.162 17482 8026 1 14 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.443 0.198 17482 8027 1 14 . 1 1 44 44 VAL H H 44 7.650 7.650 7.478 0.172 17482 8028 1 14 . 1 1 45 45 GLN N N 45 122.078 122.078 127.593 -5.515 17482 8029 1 14 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.281 0.378 17482 8030 1 14 . 1 1 45 45 GLN CA C 45 53.664 53.664 55.306 -1.643 17482 8031 1 14 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.325 1.004 17482 8032 1 14 . 1 1 45 45 GLN H H 45 8.154 8.154 8.450 -0.296 17482 8033 1 14 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.528 -0.095 17482 8034 1 14 . 1 1 46 46 PRO C C 46 177.329 177.329 176.378 0.951 17482 8035 1 14 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.550 1.204 17482 8036 1 14 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.355 -0.124 17482 8037 1 14 . 1 1 47 47 GLU N N 47 119.456 119.456 118.889 0.567 17482 8038 1 14 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.229 -0.018 17482 8039 1 14 . 1 1 47 47 GLU C C 47 176.484 176.484 176.590 -0.106 17482 8040 1 14 . 1 1 47 47 GLU CA C 47 57.468 57.468 58.160 -0.692 17482 8041 1 14 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.832 0.497 17482 8042 1 14 . 1 1 47 47 GLU H H 47 8.491 8.491 8.369 0.122 17482 8043 1 14 . 1 1 48 48 ASP N N 48 119.108 119.108 116.860 2.248 17482 8044 1 14 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.745 -0.160 17482 8045 1 14 . 1 1 48 48 ASP C C 48 175.863 175.863 174.795 1.068 17482 8046 1 14 . 1 1 48 48 ASP CA C 48 54.579 54.579 54.203 0.376 17482 8047 1 14 . 1 1 48 48 ASP CB C 48 41.131 41.131 40.844 0.287 17482 8048 1 14 . 1 1 48 48 ASP H H 48 8.137 8.137 7.912 0.225 17482 8049 1 14 . 1 1 49 49 ASN N N 49 117.714 117.714 120.602 -2.888 17482 8050 1 14 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.847 -0.182 17482 8051 1 14 . 1 1 49 49 ASN C C 49 174.975 174.975 174.116 0.859 17482 8052 1 14 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.325 0.403 17482 8053 1 14 . 1 1 49 49 ASN CB C 49 39.131 39.131 39.699 -0.568 17482 8054 1 14 . 1 1 49 49 ASN H H 49 8.173 8.173 8.427 -0.254 17482 8055 1 14 . 1 1 50 50 LYS N N 50 120.215 120.215 120.510 -0.295 17482 8056 1 14 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.434 -0.126 17482 8057 1 14 . 1 1 50 50 LYS C C 50 176.950 176.950 175.146 1.804 17482 8058 1 14 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.590 0.237 17482 8059 1 14 . 1 1 50 50 LYS CB C 50 33.031 33.031 33.920 -0.890 17482 8060 1 14 . 1 1 50 50 LYS H H 50 8.098 8.098 8.088 0.010 17482 8061 1 14 . 1 1 51 51 GLY N N 51 109.286 109.286 110.223 -0.937 17482 8062 1 14 . 1 1 51 51 GLY C C 51 175.251 175.251 174.534 0.717 17482 8063 1 14 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.293 0.620 17482 8064 1 14 . 1 1 51 51 GLY H H 51 8.295 8.295 8.347 -0.052 17482 8065 1 14 . 1 1 52 52 VAL N N 52 119.528 119.528 120.698 -1.170 17482 8066 1 14 . 1 1 52 52 VAL HA H 52 3.864 3.864 4.016 -0.152 17482 8067 1 14 . 1 1 52 52 VAL C C 52 176.372 176.372 177.113 -0.741 17482 8068 1 14 . 1 1 52 52 VAL CA C 52 64.346 64.346 63.892 0.454 17482 8069 1 14 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.787 0.443 17482 8070 1 14 . 1 1 52 52 VAL H H 52 7.940 7.940 8.016 -0.076 17482 8071 1 14 . 1 1 53 53 PHE N N 53 118.265 118.265 121.444 -3.179 17482 8072 1 14 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.326 0.267 17482 8073 1 14 . 1 1 53 53 PHE C C 53 176.441 176.441 177.957 -1.516 17482 8074 1 14 . 1 1 53 53 PHE CA C 53 58.676 58.676 61.086 -2.410 17482 8075 1 14 . 1 1 53 53 PHE CB C 53 38.635 38.635 37.808 0.827 17482 8076 1 14 . 1 1 53 53 PHE H H 53 8.046 8.046 8.262 -0.216 17482 8077 1 14 . 1 1 54 54 GLN N N 54 119.441 119.441 117.997 1.444 17482 8078 1 14 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.036 0.135 17482 8079 1 14 . 1 1 54 54 GLN C C 54 177.166 177.166 178.311 -1.145 17482 8080 1 14 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.373 -1.824 17482 8081 1 14 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.048 1.451 17482 8082 1 14 . 1 1 54 54 GLN H H 54 7.978 7.978 9.001 -1.023 17482 8083 1 14 . 1 1 55 55 GLY N N 55 107.822 107.822 106.937 0.885 17482 8084 1 14 . 1 1 55 55 GLY C C 55 175.294 175.294 175.971 -0.677 17482 8085 1 14 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.834 -0.646 17482 8086 1 14 . 1 1 55 55 GLY H H 55 8.120 8.120 7.752 0.368 17482 8087 1 14 . 1 1 56 56 VAL N N 56 119.174 119.174 120.761 -1.587 17482 8088 1 14 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.550 0.422 17482 8089 1 14 . 1 1 56 56 VAL C C 56 176.527 176.527 177.336 -0.809 17482 8090 1 14 . 1 1 56 56 VAL CA C 56 64.004 64.004 66.776 -2.772 17482 8091 1 14 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.775 0.417 17482 8092 1 14 . 1 1 56 56 VAL H H 56 7.774 7.774 7.536 0.238 17482 8093 1 14 . 1 1 57 57 HIS N N 57 119.221 119.221 117.058 2.163 17482 8094 1 14 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.535 0.007 17482 8095 1 14 . 1 1 57 57 HIS CA C 57 56.973 56.973 58.241 -1.268 17482 8096 1 14 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.572 -0.964 17482 8097 1 14 . 1 1 57 57 HIS H H 57 8.201 8.201 7.560 0.641 17482 8098 1 14 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.425 0.155 17482 8099 1 14 . 1 1 58 58 ASP C C 58 177.097 177.097 178.905 -1.808 17482 8100 1 14 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.091 -2.070 17482 8101 1 14 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.251 0.985 17482 8102 1 14 . 1 1 59 59 SER N N 59 116.347 116.347 116.725 -0.378 17482 8103 1 14 . 1 1 59 59 SER HA H 59 4.372 4.372 4.114 0.258 17482 8104 1 14 . 1 1 59 59 SER C C 59 175.087 175.087 175.508 -0.421 17482 8105 1 14 . 1 1 59 59 SER CA C 59 59.207 59.207 60.905 -1.698 17482 8106 1 14 . 1 1 59 59 SER CB C 59 63.780 63.780 63.341 0.439 17482 8107 1 14 . 1 1 59 59 SER H H 59 8.134 8.134 8.142 -0.008 17482 8108 1 14 . 1 1 60 60 ALA N N 60 125.097 125.097 120.663 4.434 17482 8109 1 14 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.505 -0.252 17482 8110 1 14 . 1 1 60 60 ALA C C 60 178.192 178.192 177.646 0.546 17482 8111 1 14 . 1 1 60 60 ALA CA C 60 53.561 53.561 51.828 1.732 17482 8112 1 14 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.723 0.355 17482 8113 1 14 . 1 1 60 60 ALA H H 60 8.203 8.203 7.574 0.629 17482 8114 1 14 . 1 1 61 61 GLU N N 61 118.432 118.432 120.775 -2.343 17482 8115 1 14 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.004 0.196 17482 8116 1 14 . 1 1 61 61 GLU C C 61 177.036 177.036 177.160 -0.124 17482 8117 1 14 . 1 1 61 61 GLU CA C 61 57.224 57.224 58.355 -1.131 17482 8118 1 14 . 1 1 61 61 GLU CB C 61 30.228 30.228 30.152 0.076 17482 8119 1 14 . 1 1 61 61 GLU H H 61 8.095 8.095 7.650 0.445 17482 8120 1 14 . 1 1 62 62 LYS N N 62 120.770 120.770 113.691 7.079 17482 8121 1 14 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.369 -0.072 17482 8122 1 14 . 1 1 62 62 LYS C C 62 177.450 177.450 175.595 1.855 17482 8123 1 14 . 1 1 62 62 LYS CA C 62 56.826 56.826 55.693 1.133 17482 8124 1 14 . 1 1 62 62 LYS CB C 62 32.943 32.943 33.334 -0.391 17482 8125 1 14 . 1 1 62 62 LYS H H 62 7.969 7.969 8.218 -0.249 17482 8126 1 14 . 1 1 63 63 GLY N N 63 108.912 108.912 106.790 2.122 17482 8127 1 14 . 1 1 63 63 GLY C C 63 174.432 174.432 174.785 -0.353 17482 8128 1 14 . 1 1 63 63 GLY CA C 63 45.751 45.751 45.516 0.235 17482 8129 1 14 . 1 1 63 63 GLY H H 63 8.287 8.287 8.566 -0.279 17482 8130 1 14 . 1 1 64 64 LYS N N 64 120.529 120.529 121.068 -0.539 17482 8131 1 14 . 1 1 64 64 LYS HA H 64 4.298 4.298 3.996 0.302 17482 8132 1 14 . 1 1 64 64 LYS C C 64 176.622 176.622 176.924 -0.302 17482 8133 1 14 . 1 1 64 64 LYS CA C 64 56.731 56.731 58.422 -1.691 17482 8134 1 14 . 1 1 64 64 LYS CB C 64 33.117 33.117 31.166 1.951 17482 8135 1 14 . 1 1 64 64 LYS H H 64 8.019 8.019 8.508 -0.489 17482 8136 1 14 . 1 1 65 65 ASP N N 65 120.673 120.673 123.005 -2.332 17482 8137 1 14 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.757 -0.177 17482 8138 1 14 . 1 1 65 65 ASP C C 65 176.226 176.226 174.797 1.429 17482 8139 1 14 . 1 1 65 65 ASP CA C 65 54.783 54.783 54.258 0.525 17482 8140 1 14 . 1 1 65 65 ASP CB C 65 41.172 41.172 39.703 1.469 17482 8141 1 14 . 1 1 65 65 ASP H H 65 8.296 8.296 8.317 -0.021 17482 8142 1 14 . 1 1 66 66 ASN N N 66 118.902 118.902 117.723 1.179 17482 8143 1 14 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.808 -0.118 17482 8144 1 14 . 1 1 66 66 ASN C C 66 175.217 175.217 174.150 1.067 17482 8145 1 14 . 1 1 66 66 ASN CA C 66 53.475 53.475 53.098 0.377 17482 8146 1 14 . 1 1 66 66 ASN CB C 66 39.117 39.117 41.287 -2.170 17482 8147 1 14 . 1 1 66 66 ASN H H 66 8.212 8.212 7.410 0.802 17482 8148 1 14 . 1 1 67 67 ALA N N 67 124.149 124.149 126.317 -2.168 17482 8149 1 14 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.271 0.029 17482 8150 1 14 . 1 1 67 67 ALA C C 67 177.890 177.890 177.251 0.639 17482 8151 1 14 . 1 1 67 67 ALA CA C 67 53.053 53.053 51.992 1.061 17482 8152 1 14 . 1 1 67 67 ALA CB C 67 19.427 19.427 19.629 -0.202 17482 8153 1 14 . 1 1 67 67 ALA H H 67 8.212 8.212 8.228 -0.016 17482 8154 1 14 . 1 1 68 68 GLU N N 68 119.216 119.216 120.545 -1.329 17482 8155 1 14 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.034 0.237 17482 8156 1 14 . 1 1 68 68 GLU C C 68 177.243 177.243 176.868 0.375 17482 8157 1 14 . 1 1 68 68 GLU CA C 68 56.797 56.797 57.514 -0.716 17482 8158 1 14 . 1 1 68 68 GLU CB C 68 30.159 30.159 28.351 1.808 17482 8159 1 14 . 1 1 68 68 GLU H H 68 8.286 8.286 8.577 -0.291 17482 8160 1 14 . 1 1 69 69 GLY N N 69 109.637 109.637 114.436 -4.799 17482 8161 1 14 . 1 1 69 69 GLY C C 69 174.371 174.371 173.898 0.473 17482 8162 1 14 . 1 1 69 69 GLY CA C 69 45.634 45.634 44.912 0.722 17482 8163 1 14 . 1 1 69 69 GLY H H 69 8.293 8.293 8.496 -0.203 17482 8164 1 14 . 1 1 70 70 GLN N N 70 119.629 119.629 122.778 -3.149 17482 8165 1 14 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.578 -0.185 17482 8166 1 14 . 1 1 70 70 GLN C C 70 176.502 176.502 176.337 0.165 17482 8167 1 14 . 1 1 70 70 GLN CA C 70 56.046 56.046 54.217 1.829 17482 8168 1 14 . 1 1 70 70 GLN CB C 70 29.627 29.627 30.863 -1.236 17482 8169 1 14 . 1 1 70 70 GLN H H 70 8.201 8.201 7.876 0.325 17482 8170 1 14 . 1 1 71 71 GLY N N 71 109.977 109.977 109.963 0.014 17482 8171 1 14 . 1 1 71 71 GLY C C 71 173.992 173.992 174.901 -0.909 17482 8172 1 14 . 1 1 71 71 GLY CA C 71 45.634 45.634 46.135 -0.501 17482 8173 1 14 . 1 1 71 71 GLY H H 71 8.424 8.424 8.484 -0.060 17482 8174 1 14 . 1 1 72 72 GLU N N 72 120.532 120.532 120.069 0.463 17482 8175 1 14 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.351 0.060 17482 8176 1 14 . 1 1 72 72 GLU C C 72 176.639 176.639 176.583 0.056 17482 8177 1 14 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.278 0.340 17482 8178 1 14 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.184 0.547 17482 8179 1 14 . 1 1 72 72 GLU H H 72 8.244 8.244 8.085 0.159 17482 8180 1 14 . 1 1 73 73 SER N N 73 117.827 117.827 116.829 0.998 17482 8181 1 14 . 1 1 73 73 SER HA H 73 4.589 4.589 4.325 0.264 17482 8182 1 14 . 1 1 73 73 SER C C 73 175.475 175.475 175.775 -0.300 17482 8183 1 14 . 1 1 73 73 SER CA C 73 58.064 58.064 59.098 -1.034 17482 8184 1 14 . 1 1 73 73 SER CB C 73 64.761 64.761 62.571 2.190 17482 8185 1 14 . 1 1 73 73 SER H H 73 8.689 8.689 8.614 0.075 17482 8186 1 14 . 1 1 74 74 LEU N N 74 124.414 124.414 129.060 -4.646 17482 8187 1 14 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.007 0.194 17482 8188 1 14 . 1 1 74 74 LEU C C 74 178.735 178.735 177.575 1.160 17482 8189 1 14 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.589 0.306 17482 8190 1 14 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.667 0.267 17482 8191 1 14 . 1 1 74 74 LEU H H 74 8.514 8.514 8.355 0.159 17482 8192 1 14 . 1 1 75 75 ALA N N 75 120.291 120.291 120.070 0.221 17482 8193 1 14 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.980 0.010 17482 8194 1 14 . 1 1 75 75 ALA C C 75 179.046 179.046 180.052 -1.006 17482 8195 1 14 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.998 0.269 17482 8196 1 14 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.635 0.959 17482 8197 1 14 . 1 1 75 75 ALA H H 75 8.160 8.160 8.292 -0.132 17482 8198 1 14 . 1 1 76 76 ASP N N 76 117.288 117.288 117.235 0.053 17482 8199 1 14 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.426 -0.020 17482 8200 1 14 . 1 1 76 76 ASP C C 76 178.476 178.476 178.388 0.088 17482 8201 1 14 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.971 0.162 17482 8202 1 14 . 1 1 76 76 ASP CB C 76 40.652 40.652 40.821 -0.169 17482 8203 1 14 . 1 1 76 76 ASP H H 76 7.773 7.773 8.165 -0.392 17482 8204 1 14 . 1 1 77 77 GLN N N 77 119.454 119.454 119.118 0.336 17482 8205 1 14 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.193 -0.031 17482 8206 1 14 . 1 1 77 77 GLN C C 77 178.037 178.037 178.366 -0.329 17482 8207 1 14 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.562 -0.181 17482 8208 1 14 . 1 1 77 77 GLN CB C 77 29.480 29.480 29.045 0.435 17482 8209 1 14 . 1 1 77 77 GLN H H 77 7.994 7.994 7.840 0.154 17482 8210 1 14 . 1 1 78 78 ALA N N 78 121.577 121.577 122.109 -0.532 17482 8211 1 14 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.201 -0.052 17482 8212 1 14 . 1 1 78 78 ALA C C 78 178.977 178.977 179.533 -0.556 17482 8213 1 14 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.010 0.121 17482 8214 1 14 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.521 0.134 17482 8215 1 14 . 1 1 78 78 ALA H H 78 8.498 8.498 8.489 0.009 17482 8216 1 14 . 1 1 79 79 ARG N N 79 117.138 117.138 119.130 -1.992 17482 8217 1 14 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.085 -0.073 17482 8218 1 14 . 1 1 79 79 ARG C C 79 175.449 175.449 177.902 -2.453 17482 8219 1 14 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.396 0.107 17482 8220 1 14 . 1 1 79 79 ARG CB C 79 30.146 30.146 30.343 -0.197 17482 8221 1 14 . 1 1 79 79 ARG H H 79 8.101 8.101 7.996 0.105 17482 8222 1 14 . 1 1 80 80 ASP N N 80 120.784 120.784 119.346 1.438 17482 8223 1 14 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.397 0.116 17482 8224 1 14 . 1 1 80 80 ASP C C 80 178.882 178.882 178.771 0.111 17482 8225 1 14 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.682 -0.806 17482 8226 1 14 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.841 -0.513 17482 8227 1 14 . 1 1 80 80 ASP H H 80 8.000 8.000 8.034 -0.034 17482 8228 1 14 . 1 1 81 81 TYR N N 81 120.298 120.298 119.969 0.329 17482 8229 1 14 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.298 0.133 17482 8230 1 14 . 1 1 81 81 TYR C C 81 177.855 177.855 177.665 0.190 17482 8231 1 14 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.667 0.167 17482 8232 1 14 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.628 -0.150 17482 8233 1 14 . 1 1 81 81 TYR H H 81 8.127 8.127 7.833 0.294 17482 8234 1 14 . 1 1 82 82 MET N N 82 118.452 118.452 118.181 0.271 17482 8235 1 14 . 1 1 82 82 MET HA H 82 4.239 4.239 3.981 0.258 17482 8236 1 14 . 1 1 82 82 MET C C 82 178.175 178.175 178.722 -0.547 17482 8237 1 14 . 1 1 82 82 MET CA C 82 58.757 58.757 58.545 0.212 17482 8238 1 14 . 1 1 82 82 MET CB C 82 32.631 32.631 32.253 0.378 17482 8239 1 14 . 1 1 82 82 MET H H 82 8.382 8.382 8.051 0.331 17482 8240 1 14 . 1 1 83 83 GLY N N 83 106.740 106.740 105.570 1.170 17482 8241 1 14 . 1 1 83 83 GLY C C 83 176.717 176.717 175.244 1.473 17482 8242 1 14 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.265 0.066 17482 8243 1 14 . 1 1 83 83 GLY H H 83 8.308 8.308 8.638 -0.330 17482 8244 1 14 . 1 1 84 84 ALA N N 84 125.357 125.357 123.467 1.890 17482 8245 1 14 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.207 0.080 17482 8246 1 14 . 1 1 84 84 ALA C C 84 180.149 180.149 179.191 0.958 17482 8247 1 14 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.606 0.042 17482 8248 1 14 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.334 0.207 17482 8249 1 14 . 1 1 84 84 ALA H H 84 7.905 7.905 7.620 0.285 17482 8250 1 14 . 1 1 85 85 ALA N N 85 121.332 121.332 121.083 0.249 17482 8251 1 14 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.950 0.075 17482 8252 1 14 . 1 1 85 85 ALA C C 85 178.847 178.847 179.713 -0.866 17482 8253 1 14 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.862 0.421 17482 8254 1 14 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.022 0.465 17482 8255 1 14 . 1 1 85 85 ALA H H 85 8.341 8.341 7.555 0.786 17482 8256 1 14 . 1 1 86 86 LYS N N 86 116.980 116.980 119.384 -2.404 17482 8257 1 14 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.906 -0.034 17482 8258 1 14 . 1 1 86 86 LYS C C 86 178.485 178.485 178.893 -0.408 17482 8259 1 14 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.755 0.438 17482 8260 1 14 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.049 0.282 17482 8261 1 14 . 1 1 86 86 LYS H H 86 8.360 8.360 7.623 0.737 17482 8262 1 14 . 1 1 87 87 SER N N 87 113.632 113.632 114.528 -0.896 17482 8263 1 14 . 1 1 87 87 SER HA H 87 4.299 4.299 4.180 0.119 17482 8264 1 14 . 1 1 87 87 SER C C 87 176.467 176.467 176.615 -0.148 17482 8265 1 14 . 1 1 87 87 SER CA C 87 61.614 61.614 61.217 0.397 17482 8266 1 14 . 1 1 87 87 SER CB C 87 63.064 63.064 62.739 0.325 17482 8267 1 14 . 1 1 87 87 SER H H 87 7.863 7.863 7.667 0.196 17482 8268 1 14 . 1 1 88 88 LYS N N 88 120.925 120.925 121.212 -0.287 17482 8269 1 14 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.022 0.323 17482 8270 1 14 . 1 1 88 88 LYS C C 88 178.502 178.502 178.993 -0.491 17482 8271 1 14 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.498 -0.802 17482 8272 1 14 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.176 -0.165 17482 8273 1 14 . 1 1 88 88 LYS H H 88 7.843 7.843 7.678 0.165 17482 8274 1 14 . 1 1 89 89 LEU N N 89 119.955 119.955 121.718 -1.763 17482 8275 1 14 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.912 0.193 17482 8276 1 14 . 1 1 89 89 LEU C C 89 178.209 178.209 178.472 -0.263 17482 8277 1 14 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.915 0.282 17482 8278 1 14 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.546 0.085 17482 8279 1 14 . 1 1 89 89 LEU H H 89 8.174 8.174 8.432 -0.258 17482 8280 1 14 . 1 1 90 90 ASN N N 90 117.013 117.013 116.355 0.658 17482 8281 1 14 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.369 0.024 17482 8282 1 14 . 1 1 90 90 ASN C C 90 174.164 174.164 177.698 -3.534 17482 8283 1 14 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.785 0.381 17482 8284 1 14 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.140 0.812 17482 8285 1 14 . 1 1 90 90 ASN H H 90 8.223 8.223 8.207 0.016 17482 8286 1 14 . 1 1 91 91 ASP N N 91 119.959 119.959 119.223 0.736 17482 8287 1 14 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.486 -0.029 17482 8288 1 14 . 1 1 91 91 ASP C C 91 178.804 178.804 177.641 1.163 17482 8289 1 14 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.234 0.203 17482 8290 1 14 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.696 -0.517 17482 8291 1 14 . 1 1 91 91 ASP H H 91 8.043 8.043 7.489 0.554 17482 8292 1 14 . 1 1 92 92 ALA N N 92 123.900 123.900 122.571 1.329 17482 8293 1 14 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.277 -0.074 17482 8294 1 14 . 1 1 92 92 ALA C C 92 178.951 178.951 179.616 -0.665 17482 8295 1 14 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.967 0.570 17482 8296 1 14 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.775 -0.271 17482 8297 1 14 . 1 1 92 92 ALA H H 92 8.256 8.256 7.616 0.640 17482 8298 1 14 . 1 1 93 93 VAL N N 93 118.228 118.228 119.590 -1.362 17482 8299 1 14 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.548 0.046 17482 8300 1 14 . 1 1 93 93 VAL C C 93 178.761 178.761 178.122 0.639 17482 8301 1 14 . 1 1 93 93 VAL CA C 93 67.157 67.157 66.748 0.409 17482 8302 1 14 . 1 1 93 93 VAL CB C 93 31.795 31.795 30.422 1.373 17482 8303 1 14 . 1 1 93 93 VAL H H 93 8.449 8.449 8.677 -0.228 17482 8304 1 14 . 1 1 94 94 GLU N N 94 120.485 120.485 119.430 1.055 17482 8305 1 14 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.967 0.078 17482 8306 1 14 . 1 1 94 94 GLU C C 94 179.347 179.347 179.377 -0.030 17482 8307 1 14 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.099 -0.468 17482 8308 1 14 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.535 -0.004 17482 8309 1 14 . 1 1 94 94 GLU H H 94 8.175 8.175 7.861 0.314 17482 8310 1 14 . 1 1 95 95 TYR N N 95 120.806 120.806 119.734 1.072 17482 8311 1 14 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.299 -0.071 17482 8312 1 14 . 1 1 95 95 TYR C C 95 178.407 178.407 177.628 0.779 17482 8313 1 14 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.184 0.377 17482 8314 1 14 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.605 0.026 17482 8315 1 14 . 1 1 95 95 TYR H H 95 8.197 8.197 7.380 0.817 17482 8316 1 14 . 1 1 96 96 VAL N N 96 118.584 118.584 119.968 -1.384 17482 8317 1 14 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.637 -0.154 17482 8318 1 14 . 1 1 96 96 VAL C C 96 177.752 177.752 178.256 -0.504 17482 8319 1 14 . 1 1 96 96 VAL CA C 96 66.680 66.680 66.301 0.379 17482 8320 1 14 . 1 1 96 96 VAL CB C 96 32.022 32.022 30.777 1.245 17482 8321 1 14 . 1 1 96 96 VAL H H 96 8.525 8.525 8.617 -0.092 17482 8322 1 14 . 1 1 97 97 SER N N 97 114.566 114.566 114.891 -0.325 17482 8323 1 14 . 1 1 97 97 SER HA H 97 4.080 4.080 4.147 -0.067 17482 8324 1 14 . 1 1 97 97 SER C C 97 176.803 176.803 177.102 -0.299 17482 8325 1 14 . 1 1 97 97 SER CA C 97 61.800 61.800 62.592 -0.792 17482 8326 1 14 . 1 1 97 97 SER CB C 97 63.258 63.258 62.875 0.383 17482 8327 1 14 . 1 1 97 97 SER H H 97 8.642 8.642 8.909 -0.267 17482 8328 1 14 . 1 1 98 98 GLY N N 98 107.586 107.586 107.119 0.467 17482 8329 1 14 . 1 1 98 98 GLY C C 98 175.553 175.553 175.034 0.519 17482 8330 1 14 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.782 0.774 17482 8331 1 14 . 1 1 98 98 GLY H H 98 7.926 7.926 7.596 0.330 17482 8332 1 14 . 1 1 99 99 ARG N N 99 119.948 119.948 119.814 0.134 17482 8333 1 14 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.191 0.012 17482 8334 1 14 . 1 1 99 99 ARG C C 99 177.830 177.830 178.256 -0.426 17482 8335 1 14 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.367 -0.238 17482 8336 1 14 . 1 1 99 99 ARG CB C 99 30.212 30.212 31.082 -0.870 17482 8337 1 14 . 1 1 99 99 ARG H H 99 7.611 7.611 7.432 0.179 17482 8338 1 14 . 1 1 100 100 VAL N N 100 116.709 116.709 119.340 -2.631 17482 8339 1 14 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.778 0.162 17482 8340 1 14 . 1 1 100 100 VAL C C 100 176.381 176.381 176.600 -0.219 17482 8341 1 14 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.984 -2.053 17482 8342 1 14 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.948 0.383 17482 8343 1 14 . 1 1 100 100 VAL H H 100 7.906 7.906 8.319 -0.413 17482 8344 1 14 . 1 1 101 101 HIS N N 101 117.584 117.584 119.563 -1.979 17482 8345 1 14 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.344 0.431 17482 8346 1 14 . 1 1 101 101 HIS C C 101 175.484 175.484 175.802 -0.318 17482 8347 1 14 . 1 1 101 101 HIS CA C 101 55.862 55.862 58.014 -2.152 17482 8348 1 14 . 1 1 101 101 HIS CB C 101 29.517 29.517 27.902 1.615 17482 8349 1 14 . 1 1 101 101 HIS H H 101 8.061 8.061 7.386 0.675 17482 8350 1 14 . 1 1 102 102 GLY N N 102 109.164 109.164 113.779 -4.615 17482 8351 1 14 . 1 1 102 102 GLY C C 102 174.121 174.121 173.981 0.140 17482 8352 1 14 . 1 1 102 102 GLY CA C 102 45.719 45.719 44.972 0.747 17482 8353 1 14 . 1 1 102 102 GLY H H 102 7.990 7.990 8.175 -0.185 17482 8354 1 14 . 1 1 103 103 GLU N N 103 120.493 120.493 120.625 -0.132 17482 8355 1 14 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.658 -0.343 17482 8356 1 14 . 1 1 103 103 GLU C C 103 176.467 176.467 175.180 1.287 17482 8357 1 14 . 1 1 103 103 GLU CA C 103 56.451 56.451 54.799 1.652 17482 8358 1 14 . 1 1 103 103 GLU CB C 103 30.731 30.731 32.806 -2.075 17482 8359 1 14 . 1 1 103 103 GLU H H 103 8.320 8.320 7.907 0.413 17482 8360 1 14 . 1 1 104 104 GLU N N 104 122.018 122.018 118.569 3.449 17482 8361 1 14 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.577 -0.314 17482 8362 1 14 . 1 1 104 104 GLU C C 104 175.820 175.820 174.965 0.855 17482 8363 1 14 . 1 1 104 104 GLU CA C 104 56.480 56.480 55.459 1.021 17482 8364 1 14 . 1 1 104 104 GLU CB C 104 30.654 30.654 31.439 -0.785 17482 8365 1 14 . 1 1 104 104 GLU H H 104 8.358 8.358 8.423 -0.065 17482 8366 1 14 . 1 1 105 105 ASP N N 105 122.625 122.625 119.174 3.451 17482 8367 1 14 . 1 1 105 105 ASP HA H 105 4.898 4.898 5.142 -0.244 17482 8368 1 14 . 1 1 105 105 ASP CA C 105 51.728 51.728 52.190 -0.462 17482 8369 1 14 . 1 1 105 105 ASP CB C 105 41.614 41.614 43.221 -1.607 17482 8370 1 14 . 1 1 105 105 ASP H H 105 8.350 8.350 8.397 -0.047 17482 8371 1 14 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.644 -0.178 17482 8372 1 14 . 1 1 106 106 PRO C C 106 177.605 177.605 176.096 1.509 17482 8373 1 14 . 1 1 106 106 PRO CA C 106 63.921 63.921 62.964 0.958 17482 8374 1 14 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.836 -0.540 17482 8375 1 14 . 1 1 107 107 THR N N 107 111.954 111.954 109.809 2.145 17482 8376 1 14 . 1 1 107 107 THR HA H 107 4.281 4.281 4.310 -0.029 17482 8377 1 14 . 1 1 107 107 THR C C 107 174.889 174.889 174.426 0.463 17482 8378 1 14 . 1 1 107 107 THR CA C 107 62.896 62.896 61.999 0.897 17482 8379 1 14 . 1 1 107 107 THR CB C 107 69.593 69.593 70.052 -0.459 17482 8380 1 14 . 1 1 107 107 THR H H 107 8.355 8.355 8.446 -0.091 17482 8381 1 14 . 1 1 108 108 LYS N N 108 123.177 123.177 122.320 0.857 17482 8382 1 14 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.161 0.194 17482 8383 1 14 . 1 1 108 108 LYS C C 108 175.406 175.406 175.791 -0.385 17482 8384 1 14 . 1 1 108 108 LYS CA C 108 56.252 56.252 57.304 -1.052 17482 8385 1 14 . 1 1 108 108 LYS CB C 108 32.964 32.964 32.769 0.195 17482 8386 1 14 . 1 1 108 108 LYS H H 108 7.739 7.739 8.244 -0.505 17482 8387 1 15 . 1 1 2 2 SER HA H 2 4.546 4.546 4.866 -0.320 17482 8388 1 15 . 1 1 2 2 SER CA C 2 58.499 58.499 58.130 0.369 17482 8389 1 15 . 1 1 2 2 SER CB C 2 64.011 64.011 64.330 -0.319 17482 8390 1 15 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.658 -0.056 17482 8391 1 15 . 1 1 3 3 ASP C C 3 176.010 176.010 174.565 1.445 17482 8392 1 15 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.706 1.030 17482 8393 1 15 . 1 1 3 3 ASP CB C 3 41.269 41.269 42.038 -0.769 17482 8394 1 15 . 1 1 4 4 ALA N N 4 123.253 123.253 122.519 0.734 17482 8395 1 15 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.258 0.068 17482 8396 1 15 . 1 1 4 4 ALA C C 4 178.097 178.097 177.522 0.575 17482 8397 1 15 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.107 0.740 17482 8398 1 15 . 1 1 4 4 ALA CB C 4 19.323 19.323 19.326 -0.003 17482 8399 1 15 . 1 1 4 4 ALA H H 4 8.095 8.095 8.253 -0.158 17482 8400 1 15 . 1 1 5 5 GLY N N 5 107.651 107.651 106.048 1.603 17482 8401 1 15 . 1 1 5 5 GLY C C 5 174.828 174.828 174.858 -0.030 17482 8402 1 15 . 1 1 5 5 GLY CA C 5 45.448 45.448 45.383 0.065 17482 8403 1 15 . 1 1 5 5 GLY H H 5 8.167 8.167 8.293 -0.126 17482 8404 1 15 . 1 1 6 6 ARG N N 6 120.230 120.230 122.419 -2.189 17482 8405 1 15 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.483 -0.134 17482 8406 1 15 . 1 1 6 6 ARG C C 6 176.562 176.562 175.936 0.626 17482 8407 1 15 . 1 1 6 6 ARG CA C 6 56.399 56.399 55.843 0.556 17482 8408 1 15 . 1 1 6 6 ARG CB C 6 30.831 30.831 31.494 -0.663 17482 8409 1 15 . 1 1 6 6 ARG H H 6 8.060 8.060 8.406 -0.346 17482 8410 1 15 . 1 1 7 7 LYS N N 7 121.076 121.076 119.060 2.016 17482 8411 1 15 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.586 -0.329 17482 8412 1 15 . 1 1 7 7 LYS C C 7 177.010 177.010 177.719 -0.709 17482 8413 1 15 . 1 1 7 7 LYS CA C 7 56.920 56.920 55.593 1.327 17482 8414 1 15 . 1 1 7 7 LYS CB C 7 32.831 32.831 33.463 -0.632 17482 8415 1 15 . 1 1 7 7 LYS H H 7 8.181 8.181 7.566 0.615 17482 8416 1 15 . 1 1 8 8 GLY N N 8 108.196 108.196 108.087 0.109 17482 8417 1 15 . 1 1 8 8 GLY C C 8 174.828 174.828 175.938 -1.110 17482 8418 1 15 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.560 -0.731 17482 8419 1 15 . 1 1 8 8 GLY H H 8 8.141 8.141 8.709 -0.568 17482 8420 1 15 . 1 1 9 9 PHE N N 9 120.374 120.374 122.133 -1.759 17482 8421 1 15 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.324 0.068 17482 8422 1 15 . 1 1 9 9 PHE C C 9 176.898 176.898 177.200 -0.302 17482 8423 1 15 . 1 1 9 9 PHE CA C 9 59.980 59.980 59.175 0.805 17482 8424 1 15 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.134 0.419 17482 8425 1 15 . 1 1 9 9 PHE H H 9 8.072 8.072 8.259 -0.187 17482 8426 1 15 . 1 1 10 10 GLY N N 10 107.944 107.944 107.712 0.232 17482 8427 1 15 . 1 1 10 10 GLY C C 10 175.441 175.441 175.712 -0.271 17482 8428 1 15 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.646 -0.824 17482 8429 1 15 . 1 1 10 10 GLY H H 10 8.431 8.431 8.370 0.061 17482 8430 1 15 . 1 1 11 11 GLU N N 11 121.098 121.098 122.168 -1.070 17482 8431 1 15 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.015 0.085 17482 8432 1 15 . 1 1 11 11 GLU C C 11 175.234 175.234 179.178 -3.944 17482 8433 1 15 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.812 -0.841 17482 8434 1 15 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.431 0.467 17482 8435 1 15 . 1 1 11 11 GLU H H 11 8.003 8.003 8.115 -0.112 17482 8436 1 15 . 1 1 12 12 LYS N N 12 119.103 119.103 118.098 1.005 17482 8437 1 15 . 1 1 12 12 LYS HA H 12 4.144 4.144 3.964 0.180 17482 8438 1 15 . 1 1 12 12 LYS C C 12 178.520 178.520 178.889 -0.369 17482 8439 1 15 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.330 0.007 17482 8440 1 15 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.559 0.835 17482 8441 1 15 . 1 1 12 12 LYS H H 12 7.930 7.930 7.294 0.636 17482 8442 1 15 . 1 1 13 13 ALA N N 13 121.534 121.534 123.211 -1.677 17482 8443 1 15 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.822 0.189 17482 8444 1 15 . 1 1 13 13 ALA C C 13 178.364 178.364 179.434 -1.070 17482 8445 1 15 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.475 -0.747 17482 8446 1 15 . 1 1 13 13 ALA CB C 13 18.460 18.460 18.006 0.454 17482 8447 1 15 . 1 1 13 13 ALA H H 13 8.216 8.216 8.585 -0.369 17482 8448 1 15 . 1 1 14 14 SER N N 14 111.263 111.263 112.762 -1.499 17482 8449 1 15 . 1 1 14 14 SER HA H 14 4.114 4.114 4.177 -0.063 17482 8450 1 15 . 1 1 14 14 SER C C 14 176.148 176.148 176.993 -0.845 17482 8451 1 15 . 1 1 14 14 SER CA C 14 61.159 61.159 62.153 -0.994 17482 8452 1 15 . 1 1 14 14 SER CB C 14 63.250 63.250 63.020 0.230 17482 8453 1 15 . 1 1 14 14 SER H H 14 8.000 8.000 8.151 -0.151 17482 8454 1 15 . 1 1 15 15 GLU N N 15 119.902 119.902 120.648 -0.746 17482 8455 1 15 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.148 0.018 17482 8456 1 15 . 1 1 15 15 GLU C C 15 177.493 177.493 177.891 -0.398 17482 8457 1 15 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.744 -0.731 17482 8458 1 15 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.603 0.338 17482 8459 1 15 . 1 1 15 15 GLU H H 15 7.724 7.724 7.390 0.334 17482 8460 1 15 . 1 1 16 16 ALA N N 16 120.687 120.687 122.117 -1.430 17482 8461 1 15 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.284 -0.023 17482 8462 1 15 . 1 1 16 16 ALA C C 16 177.933 177.933 179.278 -1.345 17482 8463 1 15 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.665 -0.890 17482 8464 1 15 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.196 0.348 17482 8465 1 15 . 1 1 16 16 ALA H H 16 7.726 7.726 8.154 -0.428 17482 8466 1 15 . 1 1 17 17 LEU N N 17 116.559 116.559 116.037 0.522 17482 8467 1 15 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.213 0.146 17482 8468 1 15 . 1 1 17 17 LEU C C 17 176.277 176.277 177.587 -1.310 17482 8469 1 15 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.835 -1.901 17482 8470 1 15 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.566 0.997 17482 8471 1 15 . 1 1 17 17 LEU H H 17 7.634 7.634 7.561 0.073 17482 8472 1 15 . 1 1 18 18 LYS N N 18 120.269 120.269 119.682 0.587 17482 8473 1 15 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.249 0.318 17482 8474 1 15 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.958 -1.469 17482 8475 1 15 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.251 0.269 17482 8476 1 15 . 1 1 18 18 LYS H H 18 7.761 7.761 7.560 0.201 17482 8477 1 15 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.430 0.013 17482 8478 1 15 . 1 1 19 19 PRO C C 19 176.984 176.984 175.847 1.137 17482 8479 1 15 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.152 0.681 17482 8480 1 15 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.301 -0.054 17482 8481 1 15 . 1 1 20 20 ASP N N 20 119.103 119.103 117.723 1.380 17482 8482 1 15 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.571 0.031 17482 8483 1 15 . 1 1 20 20 ASP C C 20 176.639 176.639 177.442 -0.803 17482 8484 1 15 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.313 0.184 17482 8485 1 15 . 1 1 20 20 ASP CB C 20 41.231 41.231 40.559 0.673 17482 8486 1 15 . 1 1 20 20 ASP H H 20 8.383 8.383 8.401 -0.018 17482 8487 1 15 . 1 1 21 21 SER N N 21 115.970 115.970 116.485 -0.515 17482 8488 1 15 . 1 1 21 21 SER HA H 21 4.376 4.376 3.978 0.398 17482 8489 1 15 . 1 1 21 21 SER C C 21 174.889 174.889 174.885 0.004 17482 8490 1 15 . 1 1 21 21 SER CA C 21 59.093 59.093 60.343 -1.250 17482 8491 1 15 . 1 1 21 21 SER CB C 21 63.860 63.860 62.326 1.534 17482 8492 1 15 . 1 1 21 21 SER H H 21 8.054 8.054 8.438 -0.384 17482 8493 1 15 . 1 1 22 22 GLN N N 22 120.766 120.766 121.134 -0.368 17482 8494 1 15 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.299 -0.021 17482 8495 1 15 . 1 1 22 22 GLN C C 22 175.984 175.984 175.221 0.763 17482 8496 1 15 . 1 1 22 22 GLN CA C 22 56.739 56.739 56.358 0.381 17482 8497 1 15 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.600 -0.409 17482 8498 1 15 . 1 1 22 22 GLN H H 22 8.452 8.452 8.172 0.280 17482 8499 1 15 . 1 1 23 23 LYS N N 23 120.410 120.410 119.469 0.941 17482 8500 1 15 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.113 0.224 17482 8501 1 15 . 1 1 23 23 LYS C C 23 176.191 176.191 177.671 -1.480 17482 8502 1 15 . 1 1 23 23 LYS CA C 23 56.208 56.208 57.393 -1.185 17482 8503 1 15 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.082 1.654 17482 8504 1 15 . 1 1 23 23 LYS H H 23 7.935 7.935 8.411 -0.476 17482 8505 1 15 . 1 1 24 24 SER N N 24 117.302 117.302 119.993 -2.691 17482 8506 1 15 . 1 1 24 24 SER HA H 24 4.492 4.492 4.428 0.064 17482 8507 1 15 . 1 1 24 24 SER C C 24 175.717 175.717 175.831 -0.114 17482 8508 1 15 . 1 1 24 24 SER CA C 24 58.145 58.145 59.147 -1.002 17482 8509 1 15 . 1 1 24 24 SER CB C 24 63.815 63.815 63.186 0.629 17482 8510 1 15 . 1 1 24 24 SER H H 24 8.365 8.365 9.079 -0.714 17482 8511 1 15 . 1 1 25 25 TYR N N 25 121.904 121.904 121.748 0.156 17482 8512 1 15 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.130 0.252 17482 8513 1 15 . 1 1 25 25 TYR C C 25 177.752 177.752 177.159 0.593 17482 8514 1 15 . 1 1 25 25 TYR CA C 25 60.945 60.945 59.914 1.031 17482 8515 1 15 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.633 0.188 17482 8516 1 15 . 1 1 25 25 TYR H H 25 8.205 8.205 8.311 -0.106 17482 8517 1 15 . 1 1 26 26 ALA N N 26 121.123 121.123 121.112 0.011 17482 8518 1 15 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.919 0.138 17482 8519 1 15 . 1 1 26 26 ALA C C 26 179.037 179.037 179.956 -0.919 17482 8520 1 15 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.412 0.125 17482 8521 1 15 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.107 0.367 17482 8522 1 15 . 1 1 26 26 ALA H H 26 8.233 8.233 7.835 0.398 17482 8523 1 15 . 1 1 27 27 GLU N N 27 117.313 117.313 118.232 -0.919 17482 8524 1 15 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.060 -0.043 17482 8525 1 15 . 1 1 27 27 GLU C C 27 179.166 179.166 179.000 0.166 17482 8526 1 15 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.106 0.372 17482 8527 1 15 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.656 0.210 17482 8528 1 15 . 1 1 27 27 GLU H H 27 7.922 7.922 7.934 -0.012 17482 8529 1 15 . 1 1 28 28 GLN N N 28 118.602 118.602 119.050 -0.448 17482 8530 1 15 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.904 0.284 17482 8531 1 15 . 1 1 28 28 GLN C C 28 179.132 179.132 178.853 0.279 17482 8532 1 15 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.743 0.102 17482 8533 1 15 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.480 0.902 17482 8534 1 15 . 1 1 28 28 GLN H H 28 8.179 8.179 7.686 0.493 17482 8535 1 15 . 1 1 29 29 GLY N N 29 107.984 107.984 106.932 1.052 17482 8536 1 15 . 1 1 29 29 GLY C C 29 174.518 174.518 175.653 -1.135 17482 8537 1 15 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.680 0.906 17482 8538 1 15 . 1 1 29 29 GLY H H 29 8.804 8.804 8.527 0.277 17482 8539 1 15 . 1 1 30 30 LYS N N 30 121.339 121.339 122.219 -0.880 17482 8540 1 15 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.858 0.103 17482 8541 1 15 . 1 1 30 30 LYS C C 30 178.925 178.925 178.753 0.172 17482 8542 1 15 . 1 1 30 30 LYS CA C 30 60.400 60.400 59.915 0.485 17482 8543 1 15 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.312 0.115 17482 8544 1 15 . 1 1 30 30 LYS H H 30 8.406 8.406 7.378 1.028 17482 8545 1 15 . 1 1 31 31 GLU N N 31 119.880 119.880 119.067 0.813 17482 8546 1 15 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.064 -0.024 17482 8547 1 15 . 1 1 31 31 GLU C C 31 177.761 177.761 178.645 -0.884 17482 8548 1 15 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.433 1.098 17482 8549 1 15 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.117 0.414 17482 8550 1 15 . 1 1 31 31 GLU H H 31 8.090 8.090 8.153 -0.063 17482 8551 1 15 . 1 1 32 32 TYR N N 32 119.786 119.786 120.611 -0.825 17482 8552 1 15 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.114 0.157 17482 8553 1 15 . 1 1 32 32 TYR C C 32 178.054 178.054 177.736 0.318 17482 8554 1 15 . 1 1 32 32 TYR CA C 32 61.720 61.720 62.017 -0.297 17482 8555 1 15 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.468 0.463 17482 8556 1 15 . 1 1 32 32 TYR H H 32 8.052 8.052 7.652 0.400 17482 8557 1 15 . 1 1 33 33 ILE N N 33 116.856 116.856 118.395 -1.539 17482 8558 1 15 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.620 0.172 17482 8559 1 15 . 1 1 33 33 ILE C C 33 177.519 177.519 178.129 -0.610 17482 8560 1 15 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.990 -1.971 17482 8561 1 15 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.698 0.413 17482 8562 1 15 . 1 1 33 33 ILE H H 33 8.249 8.249 8.182 0.067 17482 8563 1 15 . 1 1 34 34 THR N N 34 114.203 114.203 113.527 0.676 17482 8564 1 15 . 1 1 34 34 THR HA H 34 3.934 3.934 3.786 0.148 17482 8565 1 15 . 1 1 34 34 THR C C 34 176.579 176.579 176.777 -0.198 17482 8566 1 15 . 1 1 34 34 THR CA C 34 66.459 66.459 66.567 -0.108 17482 8567 1 15 . 1 1 34 34 THR CB C 34 68.845 68.845 67.871 0.974 17482 8568 1 15 . 1 1 34 34 THR H H 34 8.254 8.254 7.711 0.543 17482 8569 1 15 . 1 1 35 35 ASP N N 35 121.116 121.116 120.798 0.318 17482 8570 1 15 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.299 0.197 17482 8571 1 15 . 1 1 35 35 ASP C C 35 177.933 177.933 178.220 -0.287 17482 8572 1 15 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.678 -0.616 17482 8573 1 15 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.722 1.106 17482 8574 1 15 . 1 1 35 35 ASP H H 35 7.880 7.880 8.036 -0.156 17482 8575 1 15 . 1 1 36 36 LYS N N 36 116.457 116.457 118.814 -2.357 17482 8576 1 15 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.062 0.095 17482 8577 1 15 . 1 1 36 36 LYS C C 36 177.968 177.968 178.651 -0.683 17482 8578 1 15 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.600 -1.729 17482 8579 1 15 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.313 -0.400 17482 8580 1 15 . 1 1 36 36 LYS H H 36 7.677 7.677 7.606 0.071 17482 8581 1 15 . 1 1 37 37 ALA N N 37 121.588 121.588 121.745 -0.157 17482 8582 1 15 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.117 -0.112 17482 8583 1 15 . 1 1 37 37 ALA C C 37 178.795 178.795 180.024 -1.229 17482 8584 1 15 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.876 0.456 17482 8585 1 15 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.251 0.223 17482 8586 1 15 . 1 1 37 37 ALA H H 37 8.296 8.296 8.255 0.041 17482 8587 1 15 . 1 1 38 38 ASP N N 38 116.490 116.490 118.757 -2.267 17482 8588 1 15 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.461 -0.052 17482 8589 1 15 . 1 1 38 38 ASP C C 38 178.347 178.347 178.502 -0.155 17482 8590 1 15 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.764 -1.035 17482 8591 1 15 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.133 -0.085 17482 8592 1 15 . 1 1 38 38 ASP H H 38 8.046 8.046 8.119 -0.073 17482 8593 1 15 . 1 1 39 39 LYS N N 39 118.627 118.627 120.609 -1.982 17482 8594 1 15 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.063 0.085 17482 8595 1 15 . 1 1 39 39 LYS C C 39 178.588 178.588 178.871 -0.283 17482 8596 1 15 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.697 -1.471 17482 8597 1 15 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.590 0.067 17482 8598 1 15 . 1 1 39 39 LYS H H 39 7.757 7.757 7.654 0.103 17482 8599 1 15 . 1 1 40 40 VAL N N 40 116.146 116.146 118.730 -2.584 17482 8600 1 15 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.721 0.188 17482 8601 1 15 . 1 1 40 40 VAL C C 40 176.683 176.683 176.706 -0.023 17482 8602 1 15 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.579 -1.171 17482 8603 1 15 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.758 0.577 17482 8604 1 15 . 1 1 40 40 VAL H H 40 7.792 7.792 8.005 -0.213 17482 8605 1 15 . 1 1 41 41 ALA N N 41 122.561 122.561 120.688 1.873 17482 8606 1 15 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.250 -0.127 17482 8607 1 15 . 1 1 41 41 ALA C C 41 179.106 179.106 180.070 -0.964 17482 8608 1 15 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.423 0.106 17482 8609 1 15 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.901 -0.301 17482 8610 1 15 . 1 1 41 41 ALA H H 41 8.094 8.094 7.463 0.631 17482 8611 1 15 . 1 1 42 42 GLY N N 42 105.072 105.072 106.976 -1.904 17482 8612 1 15 . 1 1 42 42 GLY C C 42 174.941 174.941 175.990 -1.049 17482 8613 1 15 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.770 -0.744 17482 8614 1 15 . 1 1 42 42 GLY H H 42 8.044 8.044 8.352 -0.308 17482 8615 1 15 . 1 1 43 43 LYS N N 43 119.123 119.123 119.139 -0.016 17482 8616 1 15 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.102 0.239 17482 8617 1 15 . 1 1 43 43 LYS C C 43 176.631 176.631 177.185 -0.554 17482 8618 1 15 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.556 0.241 17482 8619 1 15 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.320 1.076 17482 8620 1 15 . 1 1 43 43 LYS H H 43 7.834 7.834 8.051 -0.217 17482 8621 1 15 . 1 1 44 44 VAL N N 44 116.413 116.413 120.626 -4.213 17482 8622 1 15 . 1 1 44 44 VAL HA H 44 4.146 4.146 3.886 0.260 17482 8623 1 15 . 1 1 44 44 VAL C C 44 175.018 175.018 175.390 -0.372 17482 8624 1 15 . 1 1 44 44 VAL CA C 44 62.331 62.331 63.236 -0.905 17482 8625 1 15 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.174 0.467 17482 8626 1 15 . 1 1 44 44 VAL H H 44 7.650 7.650 7.512 0.138 17482 8627 1 15 . 1 1 45 45 GLN N N 45 122.078 122.078 125.978 -3.900 17482 8628 1 15 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.707 -0.048 17482 8629 1 15 . 1 1 45 45 GLN CA C 45 53.664 53.664 53.339 0.325 17482 8630 1 15 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.058 1.271 17482 8631 1 15 . 1 1 45 45 GLN H H 45 8.154 8.154 8.462 -0.308 17482 8632 1 15 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.555 -0.122 17482 8633 1 15 . 1 1 46 46 PRO C C 46 177.329 177.329 176.638 0.691 17482 8634 1 15 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.680 1.074 17482 8635 1 15 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.643 -0.412 17482 8636 1 15 . 1 1 47 47 GLU N N 47 119.456 119.456 118.406 1.050 17482 8637 1 15 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.013 0.198 17482 8638 1 15 . 1 1 47 47 GLU C C 47 176.484 176.484 176.144 0.340 17482 8639 1 15 . 1 1 47 47 GLU CA C 47 57.468 57.468 58.274 -0.806 17482 8640 1 15 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.397 0.932 17482 8641 1 15 . 1 1 47 47 GLU H H 47 8.491 8.491 8.380 0.111 17482 8642 1 15 . 1 1 48 48 ASP N N 48 119.108 119.108 117.164 1.944 17482 8643 1 15 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.356 0.229 17482 8644 1 15 . 1 1 48 48 ASP C C 48 175.863 175.863 175.759 0.104 17482 8645 1 15 . 1 1 48 48 ASP CA C 48 54.579 54.579 54.566 0.013 17482 8646 1 15 . 1 1 48 48 ASP CB C 48 41.131 41.131 39.884 1.247 17482 8647 1 15 . 1 1 48 48 ASP H H 48 8.137 8.137 8.421 -0.284 17482 8648 1 15 . 1 1 49 49 ASN N N 49 117.714 117.714 115.580 2.134 17482 8649 1 15 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.259 0.406 17482 8650 1 15 . 1 1 49 49 ASN C C 49 174.975 174.975 174.234 0.741 17482 8651 1 15 . 1 1 49 49 ASN CA C 49 53.728 53.728 54.583 -0.855 17482 8652 1 15 . 1 1 49 49 ASN CB C 49 39.131 39.131 38.854 0.277 17482 8653 1 15 . 1 1 49 49 ASN H H 49 8.173 8.173 8.275 -0.102 17482 8654 1 15 . 1 1 50 50 LYS N N 50 120.215 120.215 119.803 0.412 17482 8655 1 15 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.468 -0.160 17482 8656 1 15 . 1 1 50 50 LYS C C 50 176.950 176.950 175.221 1.729 17482 8657 1 15 . 1 1 50 50 LYS CA C 50 56.828 56.828 55.114 1.714 17482 8658 1 15 . 1 1 50 50 LYS CB C 50 33.031 33.031 35.276 -2.245 17482 8659 1 15 . 1 1 50 50 LYS H H 50 8.098 8.098 8.313 -0.215 17482 8660 1 15 . 1 1 51 51 GLY N N 51 109.286 109.286 108.501 0.785 17482 8661 1 15 . 1 1 51 51 GLY C C 51 175.251 175.251 174.146 1.105 17482 8662 1 15 . 1 1 51 51 GLY CA C 51 45.913 45.913 44.647 1.266 17482 8663 1 15 . 1 1 51 51 GLY H H 51 8.295 8.295 8.182 0.113 17482 8664 1 15 . 1 1 52 52 VAL N N 52 119.528 119.528 122.640 -3.112 17482 8665 1 15 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.909 -0.045 17482 8666 1 15 . 1 1 52 52 VAL C C 52 176.372 176.372 175.871 0.501 17482 8667 1 15 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.869 -0.523 17482 8668 1 15 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.976 0.254 17482 8669 1 15 . 1 1 52 52 VAL H H 52 7.940 7.940 8.466 -0.526 17482 8670 1 15 . 1 1 53 53 PHE N N 53 118.265 118.265 118.925 -0.660 17482 8671 1 15 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.762 -0.169 17482 8672 1 15 . 1 1 53 53 PHE C C 53 176.441 176.441 177.752 -1.311 17482 8673 1 15 . 1 1 53 53 PHE CA C 53 58.676 58.676 59.691 -1.016 17482 8674 1 15 . 1 1 53 53 PHE CB C 53 38.635 38.635 39.343 -0.709 17482 8675 1 15 . 1 1 53 53 PHE H H 53 8.046 8.046 7.825 0.221 17482 8676 1 15 . 1 1 54 54 GLN N N 54 119.441 119.441 120.088 -0.647 17482 8677 1 15 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.143 0.028 17482 8678 1 15 . 1 1 54 54 GLN C C 54 177.166 177.166 178.472 -1.306 17482 8679 1 15 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.367 -1.818 17482 8680 1 15 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.259 1.240 17482 8681 1 15 . 1 1 54 54 GLN H H 54 7.978 7.978 8.847 -0.869 17482 8682 1 15 . 1 1 55 55 GLY N N 55 107.822 107.822 106.613 1.209 17482 8683 1 15 . 1 1 55 55 GLY C C 55 175.294 175.294 175.753 -0.459 17482 8684 1 15 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.552 -0.364 17482 8685 1 15 . 1 1 55 55 GLY H H 55 8.120 8.120 8.190 -0.070 17482 8686 1 15 . 1 1 56 56 VAL N N 56 119.174 119.174 120.170 -0.996 17482 8687 1 15 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.576 0.396 17482 8688 1 15 . 1 1 56 56 VAL C C 56 176.527 176.527 176.325 0.202 17482 8689 1 15 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.712 -1.708 17482 8690 1 15 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.496 0.696 17482 8691 1 15 . 1 1 56 56 VAL H H 56 7.774 7.774 7.645 0.129 17482 8692 1 15 . 1 1 57 57 HIS N N 57 119.221 119.221 116.656 2.565 17482 8693 1 15 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.524 0.018 17482 8694 1 15 . 1 1 57 57 HIS CA C 57 56.973 56.973 58.319 -1.346 17482 8695 1 15 . 1 1 57 57 HIS CB C 57 29.608 29.608 31.097 -1.489 17482 8696 1 15 . 1 1 57 57 HIS H H 57 8.201 8.201 7.470 0.731 17482 8697 1 15 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.411 0.169 17482 8698 1 15 . 1 1 58 58 ASP C C 58 177.097 177.097 177.953 -0.856 17482 8699 1 15 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.991 -1.970 17482 8700 1 15 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.114 1.122 17482 8701 1 15 . 1 1 59 59 SER N N 59 116.347 116.347 115.003 1.344 17482 8702 1 15 . 1 1 59 59 SER HA H 59 4.372 4.372 4.329 0.043 17482 8703 1 15 . 1 1 59 59 SER C C 59 175.087 175.087 175.448 -0.361 17482 8704 1 15 . 1 1 59 59 SER CA C 59 59.207 59.207 60.499 -1.292 17482 8705 1 15 . 1 1 59 59 SER CB C 59 63.780 63.780 63.277 0.503 17482 8706 1 15 . 1 1 59 59 SER H H 59 8.134 8.134 8.032 0.102 17482 8707 1 15 . 1 1 60 60 ALA N N 60 125.097 125.097 122.403 2.694 17482 8708 1 15 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.028 0.225 17482 8709 1 15 . 1 1 60 60 ALA C C 60 178.192 178.192 178.362 -0.170 17482 8710 1 15 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.402 -0.841 17482 8711 1 15 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.918 0.160 17482 8712 1 15 . 1 1 60 60 ALA H H 60 8.203 8.203 7.486 0.717 17482 8713 1 15 . 1 1 61 61 GLU N N 61 118.432 118.432 115.059 3.373 17482 8714 1 15 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.334 -0.134 17482 8715 1 15 . 1 1 61 61 GLU C C 61 177.036 177.036 177.197 -0.161 17482 8716 1 15 . 1 1 61 61 GLU CA C 61 57.224 57.224 55.925 1.299 17482 8717 1 15 . 1 1 61 61 GLU CB C 61 30.228 30.228 30.992 -0.764 17482 8718 1 15 . 1 1 61 61 GLU H H 61 8.095 8.095 8.012 0.083 17482 8719 1 15 . 1 1 62 62 LYS N N 62 120.770 120.770 121.660 -0.890 17482 8720 1 15 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.328 -0.031 17482 8721 1 15 . 1 1 62 62 LYS C C 62 177.450 177.450 178.369 -0.919 17482 8722 1 15 . 1 1 62 62 LYS CA C 62 56.826 56.826 55.600 1.226 17482 8723 1 15 . 1 1 62 62 LYS CB C 62 32.943 32.943 33.495 -0.552 17482 8724 1 15 . 1 1 62 62 LYS H H 62 7.969 7.969 8.070 -0.101 17482 8725 1 15 . 1 1 63 63 GLY N N 63 108.912 108.912 108.817 0.095 17482 8726 1 15 . 1 1 63 63 GLY C C 63 174.432 174.432 173.943 0.489 17482 8727 1 15 . 1 1 63 63 GLY CA C 63 45.751 45.751 45.853 -0.103 17482 8728 1 15 . 1 1 63 63 GLY H H 63 8.287 8.287 8.638 -0.351 17482 8729 1 15 . 1 1 64 64 LYS N N 64 120.529 120.529 118.315 2.214 17482 8730 1 15 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.088 0.210 17482 8731 1 15 . 1 1 64 64 LYS C C 64 176.622 176.622 175.490 1.132 17482 8732 1 15 . 1 1 64 64 LYS CA C 64 56.731 56.731 57.251 -0.520 17482 8733 1 15 . 1 1 64 64 LYS CB C 64 33.117 33.117 32.144 0.973 17482 8734 1 15 . 1 1 64 64 LYS H H 64 8.019 8.019 7.636 0.383 17482 8735 1 15 . 1 1 65 65 ASP N N 65 120.673 120.673 116.640 4.033 17482 8736 1 15 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.254 0.326 17482 8737 1 15 . 1 1 65 65 ASP C C 65 176.226 176.226 176.782 -0.556 17482 8738 1 15 . 1 1 65 65 ASP CA C 65 54.783 54.783 54.882 -0.099 17482 8739 1 15 . 1 1 65 65 ASP CB C 65 41.172 41.172 39.813 1.359 17482 8740 1 15 . 1 1 65 65 ASP H H 65 8.296 8.296 8.727 -0.431 17482 8741 1 15 . 1 1 66 66 ASN N N 66 118.902 118.902 116.032 2.870 17482 8742 1 15 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.271 0.419 17482 8743 1 15 . 1 1 66 66 ASN C C 66 175.217 175.217 174.854 0.363 17482 8744 1 15 . 1 1 66 66 ASN CA C 66 53.475 53.475 55.510 -2.035 17482 8745 1 15 . 1 1 66 66 ASN CB C 66 39.117 39.117 37.742 1.375 17482 8746 1 15 . 1 1 66 66 ASN H H 66 8.212 8.212 8.351 -0.139 17482 8747 1 15 . 1 1 67 67 ALA N N 67 124.149 124.149 120.984 3.165 17482 8748 1 15 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.077 0.223 17482 8749 1 15 . 1 1 67 67 ALA C C 67 177.890 177.890 176.327 1.563 17482 8750 1 15 . 1 1 67 67 ALA CA C 67 53.053 53.053 53.615 -0.562 17482 8751 1 15 . 1 1 67 67 ALA CB C 67 19.427 19.427 17.725 1.702 17482 8752 1 15 . 1 1 67 67 ALA H H 67 8.212 8.212 8.184 0.028 17482 8753 1 15 . 1 1 68 68 GLU N N 68 119.216 119.216 116.633 2.583 17482 8754 1 15 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.314 -0.043 17482 8755 1 15 . 1 1 68 68 GLU C C 68 177.243 177.243 175.964 1.279 17482 8756 1 15 . 1 1 68 68 GLU CA C 68 56.797 56.797 55.961 0.836 17482 8757 1 15 . 1 1 68 68 GLU CB C 68 30.159 30.159 29.798 0.361 17482 8758 1 15 . 1 1 68 68 GLU H H 68 8.286 8.286 8.239 0.047 17482 8759 1 15 . 1 1 69 69 GLY N N 69 109.637 109.637 108.396 1.241 17482 8760 1 15 . 1 1 69 69 GLY C C 69 174.371 174.371 173.016 1.355 17482 8761 1 15 . 1 1 69 69 GLY CA C 69 45.634 45.634 44.970 0.664 17482 8762 1 15 . 1 1 69 69 GLY H H 69 8.293 8.293 8.180 0.113 17482 8763 1 15 . 1 1 70 70 GLN N N 70 119.629 119.629 121.990 -2.361 17482 8764 1 15 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.640 -0.247 17482 8765 1 15 . 1 1 70 70 GLN C C 70 176.502 176.502 175.495 1.007 17482 8766 1 15 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.569 0.477 17482 8767 1 15 . 1 1 70 70 GLN CB C 70 29.627 29.627 31.055 -1.429 17482 8768 1 15 . 1 1 70 70 GLN H H 70 8.201 8.201 8.424 -0.223 17482 8769 1 15 . 1 1 71 71 GLY N N 71 109.977 109.977 109.211 0.766 17482 8770 1 15 . 1 1 71 71 GLY C C 71 173.992 173.992 173.491 0.501 17482 8771 1 15 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.488 1.146 17482 8772 1 15 . 1 1 71 71 GLY H H 71 8.424 8.424 7.889 0.535 17482 8773 1 15 . 1 1 72 72 GLU N N 72 120.532 120.532 120.629 -0.097 17482 8774 1 15 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.367 0.044 17482 8775 1 15 . 1 1 72 72 GLU C C 72 176.639 176.639 175.824 0.815 17482 8776 1 15 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.897 -0.279 17482 8777 1 15 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.455 0.276 17482 8778 1 15 . 1 1 72 72 GLU H H 72 8.244 8.244 8.581 -0.337 17482 8779 1 15 . 1 1 73 73 SER N N 73 117.827 117.827 116.055 1.772 17482 8780 1 15 . 1 1 73 73 SER HA H 73 4.589 4.589 4.744 -0.155 17482 8781 1 15 . 1 1 73 73 SER C C 73 175.475 175.475 174.748 0.727 17482 8782 1 15 . 1 1 73 73 SER CA C 73 58.064 58.064 57.547 0.517 17482 8783 1 15 . 1 1 73 73 SER CB C 73 64.761 64.761 64.326 0.435 17482 8784 1 15 . 1 1 73 73 SER H H 73 8.689 8.689 8.468 0.221 17482 8785 1 15 . 1 1 74 74 LEU N N 74 124.414 124.414 126.836 -2.422 17482 8786 1 15 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.023 0.178 17482 8787 1 15 . 1 1 74 74 LEU C C 74 178.735 178.735 177.927 0.808 17482 8788 1 15 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.115 0.780 17482 8789 1 15 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.824 0.110 17482 8790 1 15 . 1 1 74 74 LEU H H 74 8.514 8.514 8.513 0.001 17482 8791 1 15 . 1 1 75 75 ALA N N 75 120.291 120.291 120.295 -0.004 17482 8792 1 15 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.963 0.027 17482 8793 1 15 . 1 1 75 75 ALA C C 75 179.046 179.046 179.980 -0.934 17482 8794 1 15 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.955 0.312 17482 8795 1 15 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.676 0.918 17482 8796 1 15 . 1 1 75 75 ALA H H 75 8.160 8.160 8.268 -0.108 17482 8797 1 15 . 1 1 76 76 ASP N N 76 117.288 117.288 117.659 -0.371 17482 8798 1 15 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.481 -0.075 17482 8799 1 15 . 1 1 76 76 ASP C C 76 178.476 178.476 178.624 -0.148 17482 8800 1 15 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.932 0.201 17482 8801 1 15 . 1 1 76 76 ASP CB C 76 40.652 40.652 40.927 -0.275 17482 8802 1 15 . 1 1 76 76 ASP H H 76 7.773 7.773 8.168 -0.395 17482 8803 1 15 . 1 1 77 77 GLN N N 77 119.454 119.454 119.053 0.401 17482 8804 1 15 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.179 -0.017 17482 8805 1 15 . 1 1 77 77 GLN C C 77 178.037 178.037 178.354 -0.317 17482 8806 1 15 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.545 -0.164 17482 8807 1 15 . 1 1 77 77 GLN CB C 77 29.480 29.480 29.055 0.425 17482 8808 1 15 . 1 1 77 77 GLN H H 77 7.994 7.994 7.817 0.177 17482 8809 1 15 . 1 1 78 78 ALA N N 78 121.577 121.577 122.068 -0.491 17482 8810 1 15 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.164 -0.015 17482 8811 1 15 . 1 1 78 78 ALA C C 78 178.977 178.977 179.451 -0.474 17482 8812 1 15 . 1 1 78 78 ALA CA C 78 55.131 55.131 54.969 0.162 17482 8813 1 15 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.474 0.181 17482 8814 1 15 . 1 1 78 78 ALA H H 78 8.498 8.498 8.437 0.061 17482 8815 1 15 . 1 1 79 79 ARG N N 79 117.138 117.138 119.357 -2.219 17482 8816 1 15 . 1 1 79 79 ARG HA H 79 4.012 4.012 3.932 0.080 17482 8817 1 15 . 1 1 79 79 ARG C C 79 175.449 175.449 177.788 -2.339 17482 8818 1 15 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.235 0.268 17482 8819 1 15 . 1 1 79 79 ARG CB C 79 30.146 30.146 30.099 0.047 17482 8820 1 15 . 1 1 79 79 ARG H H 79 8.101 8.101 7.892 0.209 17482 8821 1 15 . 1 1 80 80 ASP N N 80 120.784 120.784 119.398 1.386 17482 8822 1 15 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.349 0.164 17482 8823 1 15 . 1 1 80 80 ASP C C 80 178.882 178.882 178.622 0.260 17482 8824 1 15 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.770 -0.894 17482 8825 1 15 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.023 -0.695 17482 8826 1 15 . 1 1 80 80 ASP H H 80 8.000 8.000 7.941 0.059 17482 8827 1 15 . 1 1 81 81 TYR N N 81 120.298 120.298 120.749 -0.451 17482 8828 1 15 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.256 0.175 17482 8829 1 15 . 1 1 81 81 TYR C C 81 177.855 177.855 177.846 0.009 17482 8830 1 15 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.594 0.240 17482 8831 1 15 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.528 -0.050 17482 8832 1 15 . 1 1 81 81 TYR H H 81 8.127 8.127 7.779 0.348 17482 8833 1 15 . 1 1 82 82 MET N N 82 118.452 118.452 117.924 0.528 17482 8834 1 15 . 1 1 82 82 MET HA H 82 4.239 4.239 3.922 0.317 17482 8835 1 15 . 1 1 82 82 MET C C 82 178.175 178.175 178.751 -0.576 17482 8836 1 15 . 1 1 82 82 MET CA C 82 58.757 58.757 58.565 0.192 17482 8837 1 15 . 1 1 82 82 MET CB C 82 32.631 32.631 32.175 0.456 17482 8838 1 15 . 1 1 82 82 MET H H 82 8.382 8.382 7.989 0.393 17482 8839 1 15 . 1 1 83 83 GLY N N 83 106.740 106.740 105.621 1.119 17482 8840 1 15 . 1 1 83 83 GLY C C 83 176.717 176.717 175.149 1.568 17482 8841 1 15 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.168 0.163 17482 8842 1 15 . 1 1 83 83 GLY H H 83 8.308 8.308 8.549 -0.241 17482 8843 1 15 . 1 1 84 84 ALA N N 84 125.357 125.357 123.965 1.392 17482 8844 1 15 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.027 0.260 17482 8845 1 15 . 1 1 84 84 ALA C C 84 180.149 180.149 179.316 0.833 17482 8846 1 15 . 1 1 84 84 ALA CA C 84 54.648 54.648 55.020 -0.372 17482 8847 1 15 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.176 0.365 17482 8848 1 15 . 1 1 84 84 ALA H H 84 7.905 7.905 7.638 0.267 17482 8849 1 15 . 1 1 85 85 ALA N N 85 121.332 121.332 120.976 0.356 17482 8850 1 15 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.885 0.140 17482 8851 1 15 . 1 1 85 85 ALA C C 85 178.847 178.847 179.782 -0.935 17482 8852 1 15 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.994 0.289 17482 8853 1 15 . 1 1 85 85 ALA CB C 85 18.487 18.487 17.941 0.546 17482 8854 1 15 . 1 1 85 85 ALA H H 85 8.341 8.341 7.569 0.772 17482 8855 1 15 . 1 1 86 86 LYS N N 86 116.980 116.980 118.499 -1.519 17482 8856 1 15 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.870 0.002 17482 8857 1 15 . 1 1 86 86 LYS C C 86 178.485 178.485 179.008 -0.523 17482 8858 1 15 . 1 1 86 86 LYS CA C 86 60.193 60.193 58.864 1.329 17482 8859 1 15 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.436 0.895 17482 8860 1 15 . 1 1 86 86 LYS H H 86 8.360 8.360 7.437 0.923 17482 8861 1 15 . 1 1 87 87 SER N N 87 113.632 113.632 114.841 -1.209 17482 8862 1 15 . 1 1 87 87 SER HA H 87 4.299 4.299 4.168 0.131 17482 8863 1 15 . 1 1 87 87 SER C C 87 176.467 176.467 176.769 -0.302 17482 8864 1 15 . 1 1 87 87 SER CA C 87 61.614 61.614 61.668 -0.054 17482 8865 1 15 . 1 1 87 87 SER CB C 87 63.064 63.064 62.964 0.100 17482 8866 1 15 . 1 1 87 87 SER H H 87 7.863 7.863 7.768 0.095 17482 8867 1 15 . 1 1 88 88 LYS N N 88 120.925 120.925 120.908 0.017 17482 8868 1 15 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.066 0.279 17482 8869 1 15 . 1 1 88 88 LYS C C 88 178.502 178.502 179.242 -0.740 17482 8870 1 15 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.485 -0.789 17482 8871 1 15 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.038 -0.027 17482 8872 1 15 . 1 1 88 88 LYS H H 88 7.843 7.843 7.674 0.169 17482 8873 1 15 . 1 1 89 89 LEU N N 89 119.955 119.955 121.571 -1.616 17482 8874 1 15 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.870 0.235 17482 8875 1 15 . 1 1 89 89 LEU C C 89 178.209 178.209 178.499 -0.290 17482 8876 1 15 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.566 -0.369 17482 8877 1 15 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.849 -0.218 17482 8878 1 15 . 1 1 89 89 LEU H H 89 8.174 8.174 8.540 -0.366 17482 8879 1 15 . 1 1 90 90 ASN N N 90 117.013 117.013 116.668 0.345 17482 8880 1 15 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.390 0.003 17482 8881 1 15 . 1 1 90 90 ASN C C 90 174.164 174.164 178.046 -3.882 17482 8882 1 15 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.275 0.891 17482 8883 1 15 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.119 0.833 17482 8884 1 15 . 1 1 90 90 ASN H H 90 8.223 8.223 8.008 0.215 17482 8885 1 15 . 1 1 91 91 ASP N N 91 119.959 119.959 120.096 -0.137 17482 8886 1 15 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.556 -0.099 17482 8887 1 15 . 1 1 91 91 ASP C C 91 178.804 178.804 177.934 0.870 17482 8888 1 15 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.003 0.435 17482 8889 1 15 . 1 1 91 91 ASP CB C 91 40.179 40.179 41.020 -0.841 17482 8890 1 15 . 1 1 91 91 ASP H H 91 8.043 8.043 7.727 0.316 17482 8891 1 15 . 1 1 92 92 ALA N N 92 123.900 123.900 123.114 0.786 17482 8892 1 15 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.251 -0.048 17482 8893 1 15 . 1 1 92 92 ALA C C 92 178.951 178.951 179.631 -0.680 17482 8894 1 15 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.975 0.562 17482 8895 1 15 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.808 -0.304 17482 8896 1 15 . 1 1 92 92 ALA H H 92 8.256 8.256 7.837 0.419 17482 8897 1 15 . 1 1 93 93 VAL N N 93 118.228 118.228 119.539 -1.311 17482 8898 1 15 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.454 0.140 17482 8899 1 15 . 1 1 93 93 VAL C C 93 178.761 178.761 177.988 0.773 17482 8900 1 15 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.400 -0.243 17482 8901 1 15 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.297 0.498 17482 8902 1 15 . 1 1 93 93 VAL H H 93 8.449 8.449 8.820 -0.371 17482 8903 1 15 . 1 1 94 94 GLU N N 94 120.485 120.485 119.174 1.311 17482 8904 1 15 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.965 0.080 17482 8905 1 15 . 1 1 94 94 GLU C C 94 179.347 179.347 179.260 0.087 17482 8906 1 15 . 1 1 94 94 GLU CA C 94 59.631 59.631 59.944 -0.313 17482 8907 1 15 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.446 0.085 17482 8908 1 15 . 1 1 94 94 GLU H H 94 8.175 8.175 7.835 0.340 17482 8909 1 15 . 1 1 95 95 TYR N N 95 120.806 120.806 120.006 0.800 17482 8910 1 15 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.300 -0.072 17482 8911 1 15 . 1 1 95 95 TYR C C 95 178.407 178.407 177.743 0.664 17482 8912 1 15 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.020 0.541 17482 8913 1 15 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.697 -0.066 17482 8914 1 15 . 1 1 95 95 TYR H H 95 8.197 8.197 7.409 0.788 17482 8915 1 15 . 1 1 96 96 VAL N N 96 118.584 118.584 119.577 -0.993 17482 8916 1 15 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.528 -0.045 17482 8917 1 15 . 1 1 96 96 VAL C C 96 177.752 177.752 177.890 -0.138 17482 8918 1 15 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.188 -0.508 17482 8919 1 15 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.513 0.509 17482 8920 1 15 . 1 1 96 96 VAL H H 96 8.525 8.525 8.606 -0.081 17482 8921 1 15 . 1 1 97 97 SER N N 97 114.566 114.566 114.635 -0.069 17482 8922 1 15 . 1 1 97 97 SER HA H 97 4.080 4.080 4.098 -0.018 17482 8923 1 15 . 1 1 97 97 SER C C 97 176.803 176.803 176.688 0.115 17482 8924 1 15 . 1 1 97 97 SER CA C 97 61.800 61.800 61.552 0.248 17482 8925 1 15 . 1 1 97 97 SER CB C 97 63.258 63.258 62.890 0.368 17482 8926 1 15 . 1 1 97 97 SER H H 97 8.642 8.642 8.789 -0.147 17482 8927 1 15 . 1 1 98 98 GLY N N 98 107.586 107.586 106.922 0.664 17482 8928 1 15 . 1 1 98 98 GLY C C 98 175.553 175.553 174.969 0.584 17482 8929 1 15 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.831 0.724 17482 8930 1 15 . 1 1 98 98 GLY H H 98 7.926 7.926 7.604 0.322 17482 8931 1 15 . 1 1 99 99 ARG N N 99 119.948 119.948 119.107 0.841 17482 8932 1 15 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.250 -0.047 17482 8933 1 15 . 1 1 99 99 ARG C C 99 177.830 177.830 178.154 -0.324 17482 8934 1 15 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.171 -0.042 17482 8935 1 15 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.514 -0.302 17482 8936 1 15 . 1 1 99 99 ARG H H 99 7.611 7.611 7.421 0.190 17482 8937 1 15 . 1 1 100 100 VAL N N 100 116.709 116.709 118.366 -1.657 17482 8938 1 15 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.822 0.118 17482 8939 1 15 . 1 1 100 100 VAL C C 100 176.381 176.381 176.206 0.175 17482 8940 1 15 . 1 1 100 100 VAL CA C 100 63.931 63.931 64.320 -0.390 17482 8941 1 15 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.807 0.524 17482 8942 1 15 . 1 1 100 100 VAL H H 100 7.906 7.906 8.197 -0.291 17482 8943 1 15 . 1 1 101 101 HIS N N 101 117.584 117.584 117.965 -0.381 17482 8944 1 15 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.257 0.518 17482 8945 1 15 . 1 1 101 101 HIS C C 101 175.484 175.484 174.503 0.981 17482 8946 1 15 . 1 1 101 101 HIS CA C 101 55.862 55.862 57.070 -1.208 17482 8947 1 15 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.511 0.006 17482 8948 1 15 . 1 1 101 101 HIS H H 101 8.061 8.061 7.904 0.157 17482 8949 1 15 . 1 1 102 102 GLY N N 102 109.164 109.164 110.004 -0.840 17482 8950 1 15 . 1 1 102 102 GLY C C 102 174.121 174.121 172.836 1.285 17482 8951 1 15 . 1 1 102 102 GLY CA C 102 45.719 45.719 44.536 1.183 17482 8952 1 15 . 1 1 102 102 GLY H H 102 7.990 7.990 7.577 0.413 17482 8953 1 15 . 1 1 103 103 GLU N N 103 120.493 120.493 120.493 0.000 17482 8954 1 15 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.431 -0.116 17482 8955 1 15 . 1 1 103 103 GLU C C 103 176.467 176.467 175.105 1.362 17482 8956 1 15 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.875 0.576 17482 8957 1 15 . 1 1 103 103 GLU CB C 103 30.731 30.731 30.922 -0.191 17482 8958 1 15 . 1 1 103 103 GLU H H 103 8.320 8.320 7.868 0.452 17482 8959 1 15 . 1 1 104 104 GLU N N 104 122.018 122.018 121.065 0.953 17482 8960 1 15 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.770 -0.507 17482 8961 1 15 . 1 1 104 104 GLU C C 104 175.820 175.820 174.931 0.889 17482 8962 1 15 . 1 1 104 104 GLU CA C 104 56.480 56.480 55.625 0.855 17482 8963 1 15 . 1 1 104 104 GLU CB C 104 30.654 30.654 32.135 -1.481 17482 8964 1 15 . 1 1 104 104 GLU H H 104 8.358 8.358 8.483 -0.125 17482 8965 1 15 . 1 1 105 105 ASP N N 105 122.625 122.625 121.333 1.292 17482 8966 1 15 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.790 0.108 17482 8967 1 15 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.368 -1.640 17482 8968 1 15 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.934 -0.320 17482 8969 1 15 . 1 1 105 105 ASP H H 105 8.350 8.350 8.517 -0.167 17482 8970 1 15 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.727 -0.261 17482 8971 1 15 . 1 1 106 106 PRO C C 106 177.605 177.605 176.431 1.174 17482 8972 1 15 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.002 0.919 17482 8973 1 15 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.889 -0.593 17482 8974 1 15 . 1 1 107 107 THR N N 107 111.954 111.954 111.226 0.728 17482 8975 1 15 . 1 1 107 107 THR HA H 107 4.281 4.281 4.639 -0.358 17482 8976 1 15 . 1 1 107 107 THR C C 107 174.889 174.889 172.773 2.116 17482 8977 1 15 . 1 1 107 107 THR CA C 107 62.896 62.896 61.449 1.447 17482 8978 1 15 . 1 1 107 107 THR CB C 107 69.593 69.593 69.716 -0.123 17482 8979 1 15 . 1 1 107 107 THR H H 107 8.355 8.355 8.550 -0.195 17482 8980 1 15 . 1 1 108 108 LYS N N 108 123.177 123.177 120.944 2.233 17482 8981 1 15 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.994 -0.639 17482 8982 1 15 . 1 1 108 108 LYS C C 108 175.406 175.406 175.660 -0.254 17482 8983 1 15 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.220 1.032 17482 8984 1 15 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.561 -0.597 17482 8985 1 15 . 1 1 108 108 LYS H H 108 7.739 7.739 8.641 -0.902 17482 8986 1 16 . 1 1 2 2 SER HA H 2 4.546 4.546 4.681 -0.135 17482 8987 1 16 . 1 1 2 2 SER CA C 2 58.499 58.499 58.925 -0.426 17482 8988 1 16 . 1 1 2 2 SER CB C 2 64.011 64.011 64.636 -0.625 17482 8989 1 16 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.843 -0.241 17482 8990 1 16 . 1 1 3 3 ASP C C 3 176.010 176.010 174.140 1.870 17482 8991 1 16 . 1 1 3 3 ASP CA C 3 54.736 54.736 55.405 -0.669 17482 8992 1 16 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.676 -0.407 17482 8993 1 16 . 1 1 4 4 ALA N N 4 123.253 123.253 123.458 -0.205 17482 8994 1 16 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.718 -0.392 17482 8995 1 16 . 1 1 4 4 ALA C C 4 178.097 178.097 176.286 1.811 17482 8996 1 16 . 1 1 4 4 ALA CA C 4 52.847 52.847 51.215 1.632 17482 8997 1 16 . 1 1 4 4 ALA CB C 4 19.323 19.323 22.098 -2.775 17482 8998 1 16 . 1 1 4 4 ALA H H 4 8.095 8.095 7.813 0.282 17482 8999 1 16 . 1 1 5 5 GLY N N 5 107.651 107.651 106.346 1.305 17482 9000 1 16 . 1 1 5 5 GLY C C 5 174.828 174.828 174.013 0.815 17482 9001 1 16 . 1 1 5 5 GLY CA C 5 45.448 45.448 45.064 0.384 17482 9002 1 16 . 1 1 5 5 GLY H H 5 8.167 8.167 8.463 -0.296 17482 9003 1 16 . 1 1 6 6 ARG N N 6 120.230 120.230 118.962 1.268 17482 9004 1 16 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.566 -0.217 17482 9005 1 16 . 1 1 6 6 ARG C C 6 176.562 176.562 174.823 1.739 17482 9006 1 16 . 1 1 6 6 ARG CA C 6 56.399 56.399 55.289 1.110 17482 9007 1 16 . 1 1 6 6 ARG CB C 6 30.831 30.831 32.593 -1.762 17482 9008 1 16 . 1 1 6 6 ARG H H 6 8.060 8.060 8.345 -0.285 17482 9009 1 16 . 1 1 7 7 LYS N N 7 121.076 121.076 122.480 -1.404 17482 9010 1 16 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.402 -0.145 17482 9011 1 16 . 1 1 7 7 LYS C C 7 177.010 177.010 175.818 1.192 17482 9012 1 16 . 1 1 7 7 LYS CA C 7 56.920 56.920 55.748 1.172 17482 9013 1 16 . 1 1 7 7 LYS CB C 7 32.831 32.831 35.013 -2.182 17482 9014 1 16 . 1 1 7 7 LYS H H 7 8.181 8.181 8.537 -0.356 17482 9015 1 16 . 1 1 8 8 GLY N N 8 108.196 108.196 110.505 -2.309 17482 9016 1 16 . 1 1 8 8 GLY C C 8 174.828 174.828 175.379 -0.551 17482 9017 1 16 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.528 -0.699 17482 9018 1 16 . 1 1 8 8 GLY H H 8 8.141 8.141 8.587 -0.446 17482 9019 1 16 . 1 1 9 9 PHE N N 9 120.374 120.374 123.265 -2.891 17482 9020 1 16 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.544 -0.152 17482 9021 1 16 . 1 1 9 9 PHE C C 9 176.898 176.898 177.069 -0.171 17482 9022 1 16 . 1 1 9 9 PHE CA C 9 59.980 59.980 60.072 -0.091 17482 9023 1 16 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.113 0.440 17482 9024 1 16 . 1 1 9 9 PHE H H 9 8.072 8.072 8.317 -0.245 17482 9025 1 16 . 1 1 10 10 GLY N N 10 107.944 107.944 107.597 0.347 17482 9026 1 16 . 1 1 10 10 GLY C C 10 175.441 175.441 175.834 -0.393 17482 9027 1 16 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.531 -0.709 17482 9028 1 16 . 1 1 10 10 GLY H H 10 8.431 8.431 7.904 0.527 17482 9029 1 16 . 1 1 11 11 GLU N N 11 121.098 121.098 122.289 -1.191 17482 9030 1 16 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.970 0.130 17482 9031 1 16 . 1 1 11 11 GLU C C 11 175.234 175.234 179.410 -4.176 17482 9032 1 16 . 1 1 11 11 GLU CA C 11 58.971 58.971 60.090 -1.119 17482 9033 1 16 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.629 0.269 17482 9034 1 16 . 1 1 11 11 GLU H H 11 8.003 8.003 8.600 -0.597 17482 9035 1 16 . 1 1 12 12 LYS N N 12 119.103 119.103 118.004 1.099 17482 9036 1 16 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.007 0.137 17482 9037 1 16 . 1 1 12 12 LYS C C 12 178.520 178.520 178.997 -0.477 17482 9038 1 16 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.294 0.043 17482 9039 1 16 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.600 0.794 17482 9040 1 16 . 1 1 12 12 LYS H H 12 7.930 7.930 7.380 0.550 17482 9041 1 16 . 1 1 13 13 ALA N N 13 121.534 121.534 122.355 -0.821 17482 9042 1 16 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.988 0.023 17482 9043 1 16 . 1 1 13 13 ALA C C 13 178.364 178.364 179.991 -1.627 17482 9044 1 16 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.245 -0.517 17482 9045 1 16 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.960 0.500 17482 9046 1 16 . 1 1 13 13 ALA H H 13 8.216 8.216 8.449 -0.233 17482 9047 1 16 . 1 1 14 14 SER N N 14 111.263 111.263 112.144 -0.881 17482 9048 1 16 . 1 1 14 14 SER HA H 14 4.114 4.114 4.110 0.004 17482 9049 1 16 . 1 1 14 14 SER C C 14 176.148 176.148 176.802 -0.654 17482 9050 1 16 . 1 1 14 14 SER CA C 14 61.159 61.159 61.844 -0.686 17482 9051 1 16 . 1 1 14 14 SER CB C 14 63.250 63.250 63.085 0.165 17482 9052 1 16 . 1 1 14 14 SER H H 14 8.000 8.000 8.103 -0.103 17482 9053 1 16 . 1 1 15 15 GLU N N 15 119.902 119.902 120.112 -0.210 17482 9054 1 16 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.123 0.043 17482 9055 1 16 . 1 1 15 15 GLU C C 15 177.493 177.493 177.885 -0.392 17482 9056 1 16 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.761 -0.748 17482 9057 1 16 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.596 0.345 17482 9058 1 16 . 1 1 15 15 GLU H H 15 7.724 7.724 7.417 0.307 17482 9059 1 16 . 1 1 16 16 ALA N N 16 120.687 120.687 122.480 -1.793 17482 9060 1 16 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.026 0.235 17482 9061 1 16 . 1 1 16 16 ALA C C 16 177.933 177.933 179.187 -1.254 17482 9062 1 16 . 1 1 16 16 ALA CA C 16 53.775 53.775 55.012 -1.237 17482 9063 1 16 . 1 1 16 16 ALA CB C 16 19.544 19.544 18.970 0.574 17482 9064 1 16 . 1 1 16 16 ALA H H 16 7.726 7.726 8.113 -0.387 17482 9065 1 16 . 1 1 17 17 LEU N N 17 116.559 116.559 116.276 0.283 17482 9066 1 16 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.136 0.223 17482 9067 1 16 . 1 1 17 17 LEU C C 17 176.277 176.277 177.664 -1.387 17482 9068 1 16 . 1 1 17 17 LEU CA C 17 54.934 54.934 57.038 -2.104 17482 9069 1 16 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.589 0.975 17482 9070 1 16 . 1 1 17 17 LEU H H 17 7.634 7.634 7.552 0.082 17482 9071 1 16 . 1 1 18 18 LYS N N 18 120.269 120.269 119.422 0.847 17482 9072 1 16 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.406 0.161 17482 9073 1 16 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.330 -0.841 17482 9074 1 16 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.617 -0.097 17482 9075 1 16 . 1 1 18 18 LYS H H 18 7.761 7.761 7.551 0.210 17482 9076 1 16 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.406 0.037 17482 9077 1 16 . 1 1 19 19 PRO C C 19 176.984 176.984 175.528 1.456 17482 9078 1 16 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.971 0.862 17482 9079 1 16 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.428 -0.181 17482 9080 1 16 . 1 1 20 20 ASP N N 20 119.103 119.103 115.844 3.259 17482 9081 1 16 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.778 -0.176 17482 9082 1 16 . 1 1 20 20 ASP C C 20 176.639 176.639 175.234 1.405 17482 9083 1 16 . 1 1 20 20 ASP CA C 20 54.497 54.497 52.828 1.669 17482 9084 1 16 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.699 -0.468 17482 9085 1 16 . 1 1 20 20 ASP H H 20 8.383 8.383 8.181 0.202 17482 9086 1 16 . 1 1 21 21 SER N N 21 115.970 115.970 116.270 -0.300 17482 9087 1 16 . 1 1 21 21 SER HA H 21 4.376 4.376 4.401 -0.025 17482 9088 1 16 . 1 1 21 21 SER C C 21 174.889 174.889 174.111 0.778 17482 9089 1 16 . 1 1 21 21 SER CA C 21 59.093 59.093 60.167 -1.074 17482 9090 1 16 . 1 1 21 21 SER CB C 21 63.860 63.860 62.761 1.099 17482 9091 1 16 . 1 1 21 21 SER H H 21 8.054 8.054 8.426 -0.372 17482 9092 1 16 . 1 1 22 22 GLN N N 22 120.766 120.766 123.433 -2.667 17482 9093 1 16 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.499 -0.221 17482 9094 1 16 . 1 1 22 22 GLN C C 22 175.984 175.984 174.619 1.365 17482 9095 1 16 . 1 1 22 22 GLN CA C 22 56.739 56.739 55.036 1.703 17482 9096 1 16 . 1 1 22 22 GLN CB C 22 29.191 29.191 31.196 -2.005 17482 9097 1 16 . 1 1 22 22 GLN H H 22 8.452 8.452 8.129 0.323 17482 9098 1 16 . 1 1 23 23 LYS N N 23 120.410 120.410 120.104 0.306 17482 9099 1 16 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.378 -0.041 17482 9100 1 16 . 1 1 23 23 LYS C C 23 176.191 176.191 176.752 -0.561 17482 9101 1 16 . 1 1 23 23 LYS CA C 23 56.208 56.208 56.211 -0.002 17482 9102 1 16 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.752 0.984 17482 9103 1 16 . 1 1 23 23 LYS H H 23 7.935 7.935 8.435 -0.500 17482 9104 1 16 . 1 1 24 24 SER N N 24 117.302 117.302 112.024 5.278 17482 9105 1 16 . 1 1 24 24 SER HA H 24 4.492 4.492 4.203 0.289 17482 9106 1 16 . 1 1 24 24 SER C C 24 175.717 175.717 175.411 0.306 17482 9107 1 16 . 1 1 24 24 SER CA C 24 58.145 58.145 59.291 -1.146 17482 9108 1 16 . 1 1 24 24 SER CB C 24 63.815 63.815 62.807 1.008 17482 9109 1 16 . 1 1 24 24 SER H H 24 8.365 8.365 8.581 -0.216 17482 9110 1 16 . 1 1 25 25 TYR N N 25 121.904 121.904 120.903 1.001 17482 9111 1 16 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.128 0.254 17482 9112 1 16 . 1 1 25 25 TYR C C 25 177.752 177.752 176.674 1.078 17482 9113 1 16 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.594 -0.649 17482 9114 1 16 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.779 0.042 17482 9115 1 16 . 1 1 25 25 TYR H H 25 8.205 8.205 8.657 -0.452 17482 9116 1 16 . 1 1 26 26 ALA N N 26 121.123 121.123 120.990 0.133 17482 9117 1 16 . 1 1 26 26 ALA HA H 26 4.057 4.057 4.003 0.054 17482 9118 1 16 . 1 1 26 26 ALA C C 26 179.037 179.037 180.071 -1.034 17482 9119 1 16 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.293 0.244 17482 9120 1 16 . 1 1 26 26 ALA CB C 26 18.474 18.474 17.870 0.604 17482 9121 1 16 . 1 1 26 26 ALA H H 26 8.233 8.233 8.498 -0.265 17482 9122 1 16 . 1 1 27 27 GLU N N 27 117.313 117.313 117.932 -0.619 17482 9123 1 16 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.003 0.014 17482 9124 1 16 . 1 1 27 27 GLU C C 27 179.166 179.166 179.029 0.137 17482 9125 1 16 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.000 0.478 17482 9126 1 16 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.782 0.084 17482 9127 1 16 . 1 1 27 27 GLU H H 27 7.922 7.922 7.878 0.044 17482 9128 1 16 . 1 1 28 28 GLN N N 28 118.602 118.602 119.087 -0.485 17482 9129 1 16 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.897 0.291 17482 9130 1 16 . 1 1 28 28 GLN C C 28 179.132 179.132 178.802 0.330 17482 9131 1 16 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.666 0.179 17482 9132 1 16 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.364 1.018 17482 9133 1 16 . 1 1 28 28 GLN H H 28 8.179 8.179 7.632 0.547 17482 9134 1 16 . 1 1 29 29 GLY N N 29 107.984 107.984 106.863 1.121 17482 9135 1 16 . 1 1 29 29 GLY C C 29 174.518 174.518 175.669 -1.151 17482 9136 1 16 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.659 0.927 17482 9137 1 16 . 1 1 29 29 GLY H H 29 8.804 8.804 8.464 0.340 17482 9138 1 16 . 1 1 30 30 LYS N N 30 121.339 121.339 122.262 -0.923 17482 9139 1 16 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.883 0.078 17482 9140 1 16 . 1 1 30 30 LYS C C 30 178.925 178.925 179.226 -0.301 17482 9141 1 16 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.210 0.190 17482 9142 1 16 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.261 0.166 17482 9143 1 16 . 1 1 30 30 LYS H H 30 8.406 8.406 7.439 0.967 17482 9144 1 16 . 1 1 31 31 GLU N N 31 119.880 119.880 118.431 1.449 17482 9145 1 16 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.123 -0.083 17482 9146 1 16 . 1 1 31 31 GLU C C 31 177.761 177.761 179.224 -1.463 17482 9147 1 16 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.748 0.783 17482 9148 1 16 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.218 0.313 17482 9149 1 16 . 1 1 31 31 GLU H H 31 8.090 8.090 8.166 -0.076 17482 9150 1 16 . 1 1 32 32 TYR N N 32 119.786 119.786 121.529 -1.743 17482 9151 1 16 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.159 0.112 17482 9152 1 16 . 1 1 32 32 TYR C C 32 178.054 178.054 177.946 0.108 17482 9153 1 16 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.824 -0.104 17482 9154 1 16 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.530 0.401 17482 9155 1 16 . 1 1 32 32 TYR H H 32 8.052 8.052 7.744 0.308 17482 9156 1 16 . 1 1 33 33 ILE N N 33 116.856 116.856 118.051 -1.195 17482 9157 1 16 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.626 0.166 17482 9158 1 16 . 1 1 33 33 ILE C C 33 177.519 177.519 177.863 -0.344 17482 9159 1 16 . 1 1 33 33 ILE CA C 33 64.019 64.019 64.999 -0.980 17482 9160 1 16 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.574 0.537 17482 9161 1 16 . 1 1 33 33 ILE H H 33 8.249 8.249 8.250 -0.001 17482 9162 1 16 . 1 1 34 34 THR N N 34 114.203 114.203 114.016 0.187 17482 9163 1 16 . 1 1 34 34 THR HA H 34 3.934 3.934 3.787 0.147 17482 9164 1 16 . 1 1 34 34 THR C C 34 176.579 176.579 176.546 0.033 17482 9165 1 16 . 1 1 34 34 THR CA C 34 66.459 66.459 66.559 -0.100 17482 9166 1 16 . 1 1 34 34 THR CB C 34 68.845 68.845 68.203 0.642 17482 9167 1 16 . 1 1 34 34 THR H H 34 8.254 8.254 8.158 0.096 17482 9168 1 16 . 1 1 35 35 ASP N N 35 121.116 121.116 120.096 1.020 17482 9169 1 16 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.312 0.184 17482 9170 1 16 . 1 1 35 35 ASP C C 35 177.933 177.933 178.271 -0.338 17482 9171 1 16 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.294 -0.232 17482 9172 1 16 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.920 0.908 17482 9173 1 16 . 1 1 35 35 ASP H H 35 7.880 7.880 7.944 -0.064 17482 9174 1 16 . 1 1 36 36 LYS N N 36 116.457 116.457 118.861 -2.404 17482 9175 1 16 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.040 0.117 17482 9176 1 16 . 1 1 36 36 LYS C C 36 177.968 177.968 178.578 -0.610 17482 9177 1 16 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.543 -1.672 17482 9178 1 16 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.240 -0.327 17482 9179 1 16 . 1 1 36 36 LYS H H 36 7.677 7.677 7.442 0.235 17482 9180 1 16 . 1 1 37 37 ALA N N 37 121.588 121.588 121.803 -0.215 17482 9181 1 16 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.044 -0.039 17482 9182 1 16 . 1 1 37 37 ALA C C 37 178.795 178.795 179.986 -1.191 17482 9183 1 16 . 1 1 37 37 ALA CA C 37 55.331 55.331 55.077 0.254 17482 9184 1 16 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.028 0.446 17482 9185 1 16 . 1 1 37 37 ALA H H 37 8.296 8.296 8.269 0.027 17482 9186 1 16 . 1 1 38 38 ASP N N 38 116.490 116.490 118.436 -1.946 17482 9187 1 16 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.506 -0.097 17482 9188 1 16 . 1 1 38 38 ASP C C 38 178.347 178.347 178.494 -0.147 17482 9189 1 16 . 1 1 38 38 ASP CA C 38 56.729 56.729 56.965 -0.236 17482 9190 1 16 . 1 1 38 38 ASP CB C 38 41.048 41.048 40.987 0.061 17482 9191 1 16 . 1 1 38 38 ASP H H 38 8.046 8.046 7.655 0.391 17482 9192 1 16 . 1 1 39 39 LYS N N 39 118.627 118.627 120.802 -2.175 17482 9193 1 16 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.021 0.127 17482 9194 1 16 . 1 1 39 39 LYS C C 39 178.588 178.588 178.797 -0.209 17482 9195 1 16 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.788 -1.562 17482 9196 1 16 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.483 0.174 17482 9197 1 16 . 1 1 39 39 LYS H H 39 7.757 7.757 7.472 0.285 17482 9198 1 16 . 1 1 40 40 VAL N N 40 116.146 116.146 119.160 -3.014 17482 9199 1 16 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.774 0.135 17482 9200 1 16 . 1 1 40 40 VAL C C 40 176.683 176.683 177.453 -0.770 17482 9201 1 16 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.102 -0.694 17482 9202 1 16 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.280 1.054 17482 9203 1 16 . 1 1 40 40 VAL H H 40 7.792 7.792 8.321 -0.529 17482 9204 1 16 . 1 1 41 41 ALA N N 41 122.561 122.561 121.047 1.514 17482 9205 1 16 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.254 -0.131 17482 9206 1 16 . 1 1 41 41 ALA C C 41 179.106 179.106 179.855 -0.749 17482 9207 1 16 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.602 -0.073 17482 9208 1 16 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.499 0.102 17482 9209 1 16 . 1 1 41 41 ALA H H 41 8.094 8.094 7.484 0.610 17482 9210 1 16 . 1 1 42 42 GLY N N 42 105.072 105.072 106.766 -1.694 17482 9211 1 16 . 1 1 42 42 GLY C C 42 174.941 174.941 176.175 -1.234 17482 9212 1 16 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.319 -0.292 17482 9213 1 16 . 1 1 42 42 GLY H H 42 8.044 8.044 8.158 -0.114 17482 9214 1 16 . 1 1 43 43 LYS N N 43 119.123 119.123 119.134 -0.011 17482 9215 1 16 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.211 0.130 17482 9216 1 16 . 1 1 43 43 LYS C C 43 176.631 176.631 176.243 0.388 17482 9217 1 16 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.820 -0.023 17482 9218 1 16 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.618 0.778 17482 9219 1 16 . 1 1 43 43 LYS H H 43 7.834 7.834 8.109 -0.275 17482 9220 1 16 . 1 1 44 44 VAL N N 44 116.413 116.413 120.041 -3.628 17482 9221 1 16 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.160 -0.014 17482 9222 1 16 . 1 1 44 44 VAL C C 44 175.018 175.018 174.501 0.517 17482 9223 1 16 . 1 1 44 44 VAL CA C 44 62.331 62.331 59.894 2.438 17482 9224 1 16 . 1 1 44 44 VAL CB C 44 32.641 32.641 33.523 -0.882 17482 9225 1 16 . 1 1 44 44 VAL H H 44 7.650 7.650 7.097 0.553 17482 9226 1 16 . 1 1 45 45 GLN N N 45 122.078 122.078 128.091 -6.013 17482 9227 1 16 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.266 0.393 17482 9228 1 16 . 1 1 45 45 GLN CA C 45 53.664 53.664 55.139 -1.475 17482 9229 1 16 . 1 1 45 45 GLN CB C 45 29.329 29.329 27.154 2.175 17482 9230 1 16 . 1 1 45 45 GLN H H 45 8.154 8.154 8.427 -0.273 17482 9231 1 16 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.469 -0.036 17482 9232 1 16 . 1 1 46 46 PRO C C 46 177.329 177.329 177.015 0.314 17482 9233 1 16 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.309 1.446 17482 9234 1 16 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.459 -0.228 17482 9235 1 16 . 1 1 47 47 GLU N N 47 119.456 119.456 117.900 1.556 17482 9236 1 16 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.196 0.015 17482 9237 1 16 . 1 1 47 47 GLU C C 47 176.484 176.484 175.509 0.975 17482 9238 1 16 . 1 1 47 47 GLU CA C 47 57.468 57.468 56.980 0.488 17482 9239 1 16 . 1 1 47 47 GLU CB C 47 30.329 30.329 30.063 0.266 17482 9240 1 16 . 1 1 47 47 GLU H H 47 8.491 8.491 8.433 0.058 17482 9241 1 16 . 1 1 48 48 ASP N N 48 119.108 119.108 118.307 0.801 17482 9242 1 16 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.797 -0.212 17482 9243 1 16 . 1 1 48 48 ASP C C 48 175.863 175.863 176.228 -0.365 17482 9244 1 16 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.325 1.254 17482 9245 1 16 . 1 1 48 48 ASP CB C 48 41.131 41.131 43.040 -1.909 17482 9246 1 16 . 1 1 48 48 ASP H H 48 8.137 8.137 7.956 0.181 17482 9247 1 16 . 1 1 49 49 ASN N N 49 117.714 117.714 120.931 -3.217 17482 9248 1 16 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.565 0.100 17482 9249 1 16 . 1 1 49 49 ASN C C 49 174.975 174.975 175.601 -0.626 17482 9250 1 16 . 1 1 49 49 ASN CA C 49 53.728 53.728 54.678 -0.950 17482 9251 1 16 . 1 1 49 49 ASN CB C 49 39.131 39.131 38.894 0.237 17482 9252 1 16 . 1 1 49 49 ASN H H 49 8.173 8.173 8.673 -0.500 17482 9253 1 16 . 1 1 50 50 LYS N N 50 120.215 120.215 117.235 2.980 17482 9254 1 16 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.090 0.218 17482 9255 1 16 . 1 1 50 50 LYS C C 50 176.950 176.950 175.437 1.513 17482 9256 1 16 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.525 0.303 17482 9257 1 16 . 1 1 50 50 LYS CB C 50 33.031 33.031 31.577 1.454 17482 9258 1 16 . 1 1 50 50 LYS H H 50 8.098 8.098 8.518 -0.420 17482 9259 1 16 . 1 1 51 51 GLY N N 51 109.286 109.286 105.486 3.800 17482 9260 1 16 . 1 1 51 51 GLY C C 51 175.251 175.251 174.425 0.826 17482 9261 1 16 . 1 1 51 51 GLY CA C 51 45.913 45.913 44.744 1.169 17482 9262 1 16 . 1 1 51 51 GLY H H 51 8.295 8.295 7.644 0.651 17482 9263 1 16 . 1 1 52 52 VAL N N 52 119.528 119.528 124.219 -4.691 17482 9264 1 16 . 1 1 52 52 VAL HA H 52 3.864 3.864 4.031 -0.167 17482 9265 1 16 . 1 1 52 52 VAL C C 52 176.372 176.372 177.123 -0.751 17482 9266 1 16 . 1 1 52 52 VAL CA C 52 64.346 64.346 63.789 0.557 17482 9267 1 16 . 1 1 52 52 VAL CB C 52 32.230 32.230 32.009 0.221 17482 9268 1 16 . 1 1 52 52 VAL H H 52 7.940 7.940 8.332 -0.392 17482 9269 1 16 . 1 1 53 53 PHE N N 53 118.265 118.265 120.237 -1.972 17482 9270 1 16 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.192 0.401 17482 9271 1 16 . 1 1 53 53 PHE C C 53 176.441 176.441 177.792 -1.351 17482 9272 1 16 . 1 1 53 53 PHE CA C 53 58.676 58.676 60.855 -2.179 17482 9273 1 16 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.241 0.394 17482 9274 1 16 . 1 1 53 53 PHE H H 53 8.046 8.046 8.557 -0.511 17482 9275 1 16 . 1 1 54 54 GLN N N 54 119.441 119.441 118.215 1.226 17482 9276 1 16 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.072 0.099 17482 9277 1 16 . 1 1 54 54 GLN C C 54 177.166 177.166 178.798 -1.632 17482 9278 1 16 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.593 -2.044 17482 9279 1 16 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.417 1.082 17482 9280 1 16 . 1 1 54 54 GLN H H 54 7.978 7.978 8.273 -0.295 17482 9281 1 16 . 1 1 55 55 GLY N N 55 107.822 107.822 107.498 0.324 17482 9282 1 16 . 1 1 55 55 GLY C C 55 175.294 175.294 176.229 -0.935 17482 9283 1 16 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.445 -0.257 17482 9284 1 16 . 1 1 55 55 GLY H H 55 8.120 8.120 7.698 0.422 17482 9285 1 16 . 1 1 56 56 VAL N N 56 119.174 119.174 122.642 -3.468 17482 9286 1 16 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.632 0.340 17482 9287 1 16 . 1 1 56 56 VAL C C 56 176.527 176.527 177.960 -1.433 17482 9288 1 16 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.419 -1.415 17482 9289 1 16 . 1 1 56 56 VAL CB C 56 32.192 32.192 30.992 1.200 17482 9290 1 16 . 1 1 56 56 VAL H H 56 7.774 7.774 8.022 -0.248 17482 9291 1 16 . 1 1 57 57 HIS N N 57 119.221 119.221 118.769 0.452 17482 9292 1 16 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.133 0.409 17482 9293 1 16 . 1 1 57 57 HIS CA C 57 56.973 56.973 59.879 -2.906 17482 9294 1 16 . 1 1 57 57 HIS CB C 57 29.608 29.608 29.709 -0.101 17482 9295 1 16 . 1 1 57 57 HIS H H 57 8.201 8.201 8.147 0.054 17482 9296 1 16 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.525 0.055 17482 9297 1 16 . 1 1 58 58 ASP C C 58 177.097 177.097 178.363 -1.266 17482 9298 1 16 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.238 -2.217 17482 9299 1 16 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.297 0.938 17482 9300 1 16 . 1 1 59 59 SER N N 59 116.347 116.347 115.852 0.495 17482 9301 1 16 . 1 1 59 59 SER HA H 59 4.372 4.372 4.282 0.090 17482 9302 1 16 . 1 1 59 59 SER C C 59 175.087 175.087 176.152 -1.065 17482 9303 1 16 . 1 1 59 59 SER CA C 59 59.207 59.207 60.743 -1.536 17482 9304 1 16 . 1 1 59 59 SER CB C 59 63.780 63.780 63.372 0.408 17482 9305 1 16 . 1 1 59 59 SER H H 59 8.134 8.134 7.686 0.448 17482 9306 1 16 . 1 1 60 60 ALA N N 60 125.097 125.097 123.793 1.304 17482 9307 1 16 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.029 0.224 17482 9308 1 16 . 1 1 60 60 ALA C C 60 178.192 178.192 178.724 -0.532 17482 9309 1 16 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.082 -0.521 17482 9310 1 16 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.565 0.513 17482 9311 1 16 . 1 1 60 60 ALA H H 60 8.203 8.203 7.489 0.714 17482 9312 1 16 . 1 1 61 61 GLU N N 61 118.432 118.432 117.059 1.373 17482 9313 1 16 . 1 1 61 61 GLU HA H 61 4.200 4.200 3.830 0.370 17482 9314 1 16 . 1 1 61 61 GLU C C 61 177.036 177.036 178.278 -1.242 17482 9315 1 16 . 1 1 61 61 GLU CA C 61 57.224 57.224 59.380 -2.156 17482 9316 1 16 . 1 1 61 61 GLU CB C 61 30.228 30.228 30.078 0.150 17482 9317 1 16 . 1 1 61 61 GLU H H 61 8.095 8.095 8.072 0.023 17482 9318 1 16 . 1 1 62 62 LYS N N 62 120.770 120.770 116.428 4.342 17482 9319 1 16 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.466 -0.169 17482 9320 1 16 . 1 1 62 62 LYS C C 62 177.450 177.450 177.313 0.137 17482 9321 1 16 . 1 1 62 62 LYS CA C 62 56.826 56.826 56.218 0.608 17482 9322 1 16 . 1 1 62 62 LYS CB C 62 32.943 32.943 34.888 -1.945 17482 9323 1 16 . 1 1 62 62 LYS H H 62 7.969 7.969 7.698 0.271 17482 9324 1 16 . 1 1 63 63 GLY N N 63 108.912 108.912 109.246 -0.334 17482 9325 1 16 . 1 1 63 63 GLY C C 63 174.432 174.432 173.629 0.803 17482 9326 1 16 . 1 1 63 63 GLY CA C 63 45.751 45.751 46.087 -0.336 17482 9327 1 16 . 1 1 63 63 GLY H H 63 8.287 8.287 8.390 -0.103 17482 9328 1 16 . 1 1 64 64 LYS N N 64 120.529 120.529 117.482 3.047 17482 9329 1 16 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.376 -0.078 17482 9330 1 16 . 1 1 64 64 LYS C C 64 176.622 176.622 174.611 2.011 17482 9331 1 16 . 1 1 64 64 LYS CA C 64 56.731 56.731 55.038 1.693 17482 9332 1 16 . 1 1 64 64 LYS CB C 64 33.117 33.117 33.980 -0.863 17482 9333 1 16 . 1 1 64 64 LYS H H 64 8.019 8.019 7.655 0.364 17482 9334 1 16 . 1 1 65 65 ASP N N 65 120.673 120.673 121.860 -1.187 17482 9335 1 16 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.666 -0.086 17482 9336 1 16 . 1 1 65 65 ASP C C 65 176.226 176.226 175.257 0.969 17482 9337 1 16 . 1 1 65 65 ASP CA C 65 54.783 54.783 54.630 0.153 17482 9338 1 16 . 1 1 65 65 ASP CB C 65 41.172 41.172 39.036 2.136 17482 9339 1 16 . 1 1 65 65 ASP H H 65 8.296 8.296 8.569 -0.273 17482 9340 1 16 . 1 1 66 66 ASN N N 66 118.902 118.902 118.125 0.777 17482 9341 1 16 . 1 1 66 66 ASN HA H 66 4.690 4.690 5.054 -0.364 17482 9342 1 16 . 1 1 66 66 ASN C C 66 175.217 175.217 173.413 1.804 17482 9343 1 16 . 1 1 66 66 ASN CA C 66 53.475 53.475 52.545 0.930 17482 9344 1 16 . 1 1 66 66 ASN CB C 66 39.117 39.117 41.527 -2.410 17482 9345 1 16 . 1 1 66 66 ASN H H 66 8.212 8.212 8.021 0.191 17482 9346 1 16 . 1 1 67 67 ALA N N 67 124.149 124.149 120.356 3.793 17482 9347 1 16 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.532 -0.232 17482 9348 1 16 . 1 1 67 67 ALA C C 67 177.890 177.890 176.845 1.045 17482 9349 1 16 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.031 1.022 17482 9350 1 16 . 1 1 67 67 ALA CB C 67 19.427 19.427 20.285 -0.858 17482 9351 1 16 . 1 1 67 67 ALA H H 67 8.212 8.212 8.024 0.188 17482 9352 1 16 . 1 1 68 68 GLU N N 68 119.216 119.216 121.682 -2.466 17482 9353 1 16 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.054 0.217 17482 9354 1 16 . 1 1 68 68 GLU C C 68 177.243 177.243 177.286 -0.043 17482 9355 1 16 . 1 1 68 68 GLU CA C 68 56.797 56.797 58.973 -2.176 17482 9356 1 16 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.064 0.095 17482 9357 1 16 . 1 1 68 68 GLU H H 68 8.286 8.286 8.714 -0.428 17482 9358 1 16 . 1 1 69 69 GLY N N 69 109.637 109.637 105.476 4.161 17482 9359 1 16 . 1 1 69 69 GLY C C 69 174.371 174.371 173.671 0.700 17482 9360 1 16 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.044 0.590 17482 9361 1 16 . 1 1 69 69 GLY H H 69 8.293 8.293 8.222 0.071 17482 9362 1 16 . 1 1 70 70 GLN N N 70 119.629 119.629 122.924 -3.295 17482 9363 1 16 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.469 -0.076 17482 9364 1 16 . 1 1 70 70 GLN C C 70 176.502 176.502 174.208 2.294 17482 9365 1 16 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.772 0.274 17482 9366 1 16 . 1 1 70 70 GLN CB C 70 29.627 29.627 32.872 -3.245 17482 9367 1 16 . 1 1 70 70 GLN H H 70 8.201 8.201 7.984 0.217 17482 9368 1 16 . 1 1 71 71 GLY N N 71 109.977 109.977 111.502 -1.525 17482 9369 1 16 . 1 1 71 71 GLY C C 71 173.992 173.992 173.303 0.689 17482 9370 1 16 . 1 1 71 71 GLY CA C 71 45.634 45.634 45.261 0.372 17482 9371 1 16 . 1 1 71 71 GLY H H 71 8.424 8.424 8.319 0.105 17482 9372 1 16 . 1 1 72 72 GLU N N 72 120.532 120.532 118.037 2.495 17482 9373 1 16 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.017 0.394 17482 9374 1 16 . 1 1 72 72 GLU C C 72 176.639 176.639 174.900 1.739 17482 9375 1 16 . 1 1 72 72 GLU CA C 72 56.618 56.618 57.428 -0.810 17482 9376 1 16 . 1 1 72 72 GLU CB C 72 30.731 30.731 29.547 1.185 17482 9377 1 16 . 1 1 72 72 GLU H H 72 8.244 8.244 8.661 -0.417 17482 9378 1 16 . 1 1 73 73 SER N N 73 117.827 117.827 112.970 4.857 17482 9379 1 16 . 1 1 73 73 SER HA H 73 4.589 4.589 4.580 0.009 17482 9380 1 16 . 1 1 73 73 SER C C 73 175.475 175.475 174.081 1.394 17482 9381 1 16 . 1 1 73 73 SER CA C 73 58.064 58.064 57.603 0.461 17482 9382 1 16 . 1 1 73 73 SER CB C 73 64.761 64.761 63.823 0.938 17482 9383 1 16 . 1 1 73 73 SER H H 73 8.689 8.689 7.542 1.147 17482 9384 1 16 . 1 1 74 74 LEU N N 74 124.414 124.414 128.666 -4.252 17482 9385 1 16 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.295 -0.094 17482 9386 1 16 . 1 1 74 74 LEU C C 74 178.735 178.735 177.125 1.610 17482 9387 1 16 . 1 1 74 74 LEU CA C 74 57.895 57.895 56.429 1.466 17482 9388 1 16 . 1 1 74 74 LEU CB C 74 41.934 41.934 42.330 -0.396 17482 9389 1 16 . 1 1 74 74 LEU H H 74 8.514 8.514 8.661 -0.147 17482 9390 1 16 . 1 1 75 75 ALA N N 75 120.291 120.291 122.037 -1.746 17482 9391 1 16 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.887 0.103 17482 9392 1 16 . 1 1 75 75 ALA C C 75 179.046 179.046 179.486 -0.440 17482 9393 1 16 . 1 1 75 75 ALA CA C 75 55.267 55.267 55.392 -0.126 17482 9394 1 16 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.849 0.745 17482 9395 1 16 . 1 1 75 75 ALA H H 75 8.160 8.160 7.929 0.231 17482 9396 1 16 . 1 1 76 76 ASP N N 76 117.288 117.288 117.352 -0.064 17482 9397 1 16 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.442 -0.036 17482 9398 1 16 . 1 1 76 76 ASP C C 76 178.476 178.476 178.018 0.458 17482 9399 1 16 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.370 0.763 17482 9400 1 16 . 1 1 76 76 ASP CB C 76 40.652 40.652 40.872 -0.220 17482 9401 1 16 . 1 1 76 76 ASP H H 76 7.773 7.773 7.811 -0.038 17482 9402 1 16 . 1 1 77 77 GLN N N 77 119.454 119.454 119.979 -0.525 17482 9403 1 16 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.022 0.140 17482 9404 1 16 . 1 1 77 77 GLN C C 77 178.037 178.037 177.848 0.189 17482 9405 1 16 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.496 -0.115 17482 9406 1 16 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.574 0.906 17482 9407 1 16 . 1 1 77 77 GLN H H 77 7.994 7.994 7.455 0.539 17482 9408 1 16 . 1 1 78 78 ALA N N 78 121.577 121.577 123.587 -2.010 17482 9409 1 16 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.141 0.008 17482 9410 1 16 . 1 1 78 78 ALA C C 78 178.977 178.977 179.762 -0.785 17482 9411 1 16 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.181 -0.050 17482 9412 1 16 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.150 0.505 17482 9413 1 16 . 1 1 78 78 ALA H H 78 8.498 8.498 8.439 0.059 17482 9414 1 16 . 1 1 79 79 ARG N N 79 117.138 117.138 117.040 0.098 17482 9415 1 16 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.080 -0.068 17482 9416 1 16 . 1 1 79 79 ARG C C 79 175.449 175.449 178.581 -3.132 17482 9417 1 16 . 1 1 79 79 ARG CA C 79 59.503 59.503 58.507 0.996 17482 9418 1 16 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.546 0.600 17482 9419 1 16 . 1 1 79 79 ARG H H 79 8.101 8.101 7.683 0.418 17482 9420 1 16 . 1 1 80 80 ASP N N 80 120.784 120.784 119.539 1.245 17482 9421 1 16 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.467 0.046 17482 9422 1 16 . 1 1 80 80 ASP C C 80 178.882 178.882 178.592 0.290 17482 9423 1 16 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.188 -0.312 17482 9424 1 16 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.834 -0.506 17482 9425 1 16 . 1 1 80 80 ASP H H 80 8.000 8.000 7.656 0.344 17482 9426 1 16 . 1 1 81 81 TYR N N 81 120.298 120.298 119.815 0.483 17482 9427 1 16 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.369 0.062 17482 9428 1 16 . 1 1 81 81 TYR C C 81 177.855 177.855 177.687 0.168 17482 9429 1 16 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.517 0.318 17482 9430 1 16 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.763 -0.285 17482 9431 1 16 . 1 1 81 81 TYR H H 81 8.127 8.127 7.600 0.527 17482 9432 1 16 . 1 1 82 82 MET N N 82 118.452 118.452 118.189 0.263 17482 9433 1 16 . 1 1 82 82 MET HA H 82 4.239 4.239 4.314 -0.075 17482 9434 1 16 . 1 1 82 82 MET C C 82 178.175 178.175 178.740 -0.565 17482 9435 1 16 . 1 1 82 82 MET CA C 82 58.757 58.757 58.091 0.666 17482 9436 1 16 . 1 1 82 82 MET CB C 82 32.631 32.631 32.503 0.128 17482 9437 1 16 . 1 1 82 82 MET H H 82 8.382 8.382 8.366 0.016 17482 9438 1 16 . 1 1 83 83 GLY N N 83 106.740 106.740 105.910 0.830 17482 9439 1 16 . 1 1 83 83 GLY C C 83 176.717 176.717 175.189 1.528 17482 9440 1 16 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.328 0.003 17482 9441 1 16 . 1 1 83 83 GLY H H 83 8.308 8.308 8.328 -0.020 17482 9442 1 16 . 1 1 84 84 ALA N N 84 125.357 125.357 123.052 2.305 17482 9443 1 16 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.309 -0.022 17482 9444 1 16 . 1 1 84 84 ALA C C 84 180.149 180.149 179.183 0.966 17482 9445 1 16 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.184 0.464 17482 9446 1 16 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.382 0.159 17482 9447 1 16 . 1 1 84 84 ALA H H 84 7.905 7.905 7.645 0.260 17482 9448 1 16 . 1 1 85 85 ALA N N 85 121.332 121.332 121.587 -0.255 17482 9449 1 16 . 1 1 85 85 ALA HA H 85 4.025 4.025 4.145 -0.120 17482 9450 1 16 . 1 1 85 85 ALA C C 85 178.847 178.847 179.664 -0.817 17482 9451 1 16 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.894 0.389 17482 9452 1 16 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.499 -0.012 17482 9453 1 16 . 1 1 85 85 ALA H H 85 8.341 8.341 7.923 0.418 17482 9454 1 16 . 1 1 86 86 LYS N N 86 116.980 116.980 119.876 -2.896 17482 9455 1 16 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.964 -0.092 17482 9456 1 16 . 1 1 86 86 LYS C C 86 178.485 178.485 178.906 -0.421 17482 9457 1 16 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.928 0.265 17482 9458 1 16 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.201 0.130 17482 9459 1 16 . 1 1 86 86 LYS H H 86 8.360 8.360 7.826 0.534 17482 9460 1 16 . 1 1 87 87 SER N N 87 113.632 113.632 114.010 -0.378 17482 9461 1 16 . 1 1 87 87 SER HA H 87 4.299 4.299 4.162 0.137 17482 9462 1 16 . 1 1 87 87 SER C C 87 176.467 176.467 176.386 0.081 17482 9463 1 16 . 1 1 87 87 SER CA C 87 61.614 61.614 61.617 -0.003 17482 9464 1 16 . 1 1 87 87 SER CB C 87 63.064 63.064 62.941 0.122 17482 9465 1 16 . 1 1 87 87 SER H H 87 7.863 7.863 7.704 0.159 17482 9466 1 16 . 1 1 88 88 LYS N N 88 120.925 120.925 121.359 -0.434 17482 9467 1 16 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.061 0.284 17482 9468 1 16 . 1 1 88 88 LYS C C 88 178.502 178.502 179.009 -0.507 17482 9469 1 16 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.483 -0.787 17482 9470 1 16 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.159 -0.148 17482 9471 1 16 . 1 1 88 88 LYS H H 88 7.843 7.843 7.519 0.324 17482 9472 1 16 . 1 1 89 89 LEU N N 89 119.955 119.955 120.958 -1.003 17482 9473 1 16 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.928 0.177 17482 9474 1 16 . 1 1 89 89 LEU C C 89 178.209 178.209 178.440 -0.231 17482 9475 1 16 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.028 0.169 17482 9476 1 16 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.665 -0.034 17482 9477 1 16 . 1 1 89 89 LEU H H 89 8.174 8.174 8.447 -0.273 17482 9478 1 16 . 1 1 90 90 ASN N N 90 117.013 117.013 116.317 0.696 17482 9479 1 16 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.395 -0.002 17482 9480 1 16 . 1 1 90 90 ASN C C 90 174.164 174.164 177.539 -3.375 17482 9481 1 16 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.885 0.281 17482 9482 1 16 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.320 0.632 17482 9483 1 16 . 1 1 90 90 ASN H H 90 8.223 8.223 8.270 -0.047 17482 9484 1 16 . 1 1 91 91 ASP N N 91 119.959 119.959 118.979 0.980 17482 9485 1 16 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.471 -0.014 17482 9486 1 16 . 1 1 91 91 ASP C C 91 178.804 178.804 177.720 1.084 17482 9487 1 16 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.202 0.236 17482 9488 1 16 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.814 -0.635 17482 9489 1 16 . 1 1 91 91 ASP H H 91 8.043 8.043 7.523 0.520 17482 9490 1 16 . 1 1 92 92 ALA N N 92 123.900 123.900 122.877 1.023 17482 9491 1 16 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.272 -0.069 17482 9492 1 16 . 1 1 92 92 ALA C C 92 178.951 178.951 179.629 -0.678 17482 9493 1 16 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.932 0.605 17482 9494 1 16 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.822 -0.318 17482 9495 1 16 . 1 1 92 92 ALA H H 92 8.256 8.256 7.625 0.631 17482 9496 1 16 . 1 1 93 93 VAL N N 93 118.228 118.228 119.658 -1.430 17482 9497 1 16 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.458 0.137 17482 9498 1 16 . 1 1 93 93 VAL C C 93 178.761 178.761 177.999 0.762 17482 9499 1 16 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.404 -0.247 17482 9500 1 16 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.283 0.512 17482 9501 1 16 . 1 1 93 93 VAL H H 93 8.449 8.449 8.695 -0.246 17482 9502 1 16 . 1 1 94 94 GLU N N 94 120.485 120.485 119.342 1.143 17482 9503 1 16 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.966 0.079 17482 9504 1 16 . 1 1 94 94 GLU C C 94 179.347 179.347 179.287 0.060 17482 9505 1 16 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.074 -0.443 17482 9506 1 16 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.513 0.018 17482 9507 1 16 . 1 1 94 94 GLU H H 94 8.175 8.175 7.859 0.316 17482 9508 1 16 . 1 1 95 95 TYR N N 95 120.806 120.806 119.376 1.430 17482 9509 1 16 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.249 -0.021 17482 9510 1 16 . 1 1 95 95 TYR C C 95 178.407 178.407 177.657 0.750 17482 9511 1 16 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.469 0.092 17482 9512 1 16 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.494 0.137 17482 9513 1 16 . 1 1 95 95 TYR H H 95 8.197 8.197 7.403 0.794 17482 9514 1 16 . 1 1 96 96 VAL N N 96 118.584 118.584 119.833 -1.249 17482 9515 1 16 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.601 -0.118 17482 9516 1 16 . 1 1 96 96 VAL C C 96 177.752 177.752 177.919 -0.167 17482 9517 1 16 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.178 -0.498 17482 9518 1 16 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.498 0.524 17482 9519 1 16 . 1 1 96 96 VAL H H 96 8.525 8.525 8.521 0.004 17482 9520 1 16 . 1 1 97 97 SER N N 97 114.566 114.566 114.819 -0.253 17482 9521 1 16 . 1 1 97 97 SER HA H 97 4.080 4.080 4.193 -0.113 17482 9522 1 16 . 1 1 97 97 SER C C 97 176.803 176.803 176.583 0.220 17482 9523 1 16 . 1 1 97 97 SER CA C 97 61.800 61.800 62.486 -0.686 17482 9524 1 16 . 1 1 97 97 SER CB C 97 63.258 63.258 62.919 0.339 17482 9525 1 16 . 1 1 97 97 SER H H 97 8.642 8.642 8.760 -0.118 17482 9526 1 16 . 1 1 98 98 GLY N N 98 107.586 107.586 106.867 0.719 17482 9527 1 16 . 1 1 98 98 GLY C C 98 175.553 175.553 175.064 0.489 17482 9528 1 16 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.879 0.677 17482 9529 1 16 . 1 1 98 98 GLY H H 98 7.926 7.926 7.567 0.359 17482 9530 1 16 . 1 1 99 99 ARG N N 99 119.948 119.948 119.340 0.608 17482 9531 1 16 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.248 -0.045 17482 9532 1 16 . 1 1 99 99 ARG C C 99 177.830 177.830 178.262 -0.432 17482 9533 1 16 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.213 -0.084 17482 9534 1 16 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.627 -0.415 17482 9535 1 16 . 1 1 99 99 ARG H H 99 7.611 7.611 7.423 0.188 17482 9536 1 16 . 1 1 100 100 VAL N N 100 116.709 116.709 117.228 -0.519 17482 9537 1 16 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.747 0.193 17482 9538 1 16 . 1 1 100 100 VAL C C 100 176.381 176.381 175.789 0.592 17482 9539 1 16 . 1 1 100 100 VAL CA C 100 63.931 63.931 64.457 -0.526 17482 9540 1 16 . 1 1 100 100 VAL CB C 100 32.331 32.331 32.111 0.221 17482 9541 1 16 . 1 1 100 100 VAL H H 100 7.906 7.906 8.219 -0.313 17482 9542 1 16 . 1 1 101 101 HIS N N 101 117.584 117.584 117.261 0.323 17482 9543 1 16 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.263 0.512 17482 9544 1 16 . 1 1 101 101 HIS C C 101 175.484 175.484 175.229 0.255 17482 9545 1 16 . 1 1 101 101 HIS CA C 101 55.862 55.862 57.328 -1.466 17482 9546 1 16 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.898 -0.381 17482 9547 1 16 . 1 1 101 101 HIS H H 101 8.061 8.061 7.603 0.458 17482 9548 1 16 . 1 1 102 102 GLY N N 102 109.164 109.164 109.781 -0.617 17482 9549 1 16 . 1 1 102 102 GLY C C 102 174.121 174.121 173.285 0.836 17482 9550 1 16 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.116 0.603 17482 9551 1 16 . 1 1 102 102 GLY H H 102 7.990 7.990 7.949 0.041 17482 9552 1 16 . 1 1 103 103 GLU N N 103 120.493 120.493 117.274 3.219 17482 9553 1 16 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.325 -0.010 17482 9554 1 16 . 1 1 103 103 GLU C C 103 176.467 176.467 173.713 2.754 17482 9555 1 16 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.320 1.131 17482 9556 1 16 . 1 1 103 103 GLU CB C 103 30.731 30.731 31.523 -0.791 17482 9557 1 16 . 1 1 103 103 GLU H H 103 8.320 8.320 7.730 0.590 17482 9558 1 16 . 1 1 104 104 GLU N N 104 122.018 122.018 123.540 -1.522 17482 9559 1 16 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.261 0.002 17482 9560 1 16 . 1 1 104 104 GLU C C 104 175.820 175.820 175.697 0.123 17482 9561 1 16 . 1 1 104 104 GLU CA C 104 56.480 56.480 56.662 -0.182 17482 9562 1 16 . 1 1 104 104 GLU CB C 104 30.654 30.654 31.213 -0.559 17482 9563 1 16 . 1 1 104 104 GLU H H 104 8.358 8.358 8.659 -0.301 17482 9564 1 16 . 1 1 105 105 ASP N N 105 122.625 122.625 121.865 0.760 17482 9565 1 16 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.584 0.314 17482 9566 1 16 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.743 -2.015 17482 9567 1 16 . 1 1 105 105 ASP CB C 105 41.614 41.614 40.141 1.473 17482 9568 1 16 . 1 1 105 105 ASP H H 105 8.350 8.350 8.325 0.025 17482 9569 1 16 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.565 -0.099 17482 9570 1 16 . 1 1 106 106 PRO C C 106 177.605 177.605 176.094 1.511 17482 9571 1 16 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.349 0.572 17482 9572 1 16 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.532 -0.236 17482 9573 1 16 . 1 1 107 107 THR N N 107 111.954 111.954 112.150 -0.196 17482 9574 1 16 . 1 1 107 107 THR HA H 107 4.281 4.281 4.496 -0.215 17482 9575 1 16 . 1 1 107 107 THR C C 107 174.889 174.889 173.198 1.691 17482 9576 1 16 . 1 1 107 107 THR CA C 107 62.896 62.896 61.879 1.017 17482 9577 1 16 . 1 1 107 107 THR CB C 107 69.593 69.593 70.542 -0.949 17482 9578 1 16 . 1 1 107 107 THR H H 107 8.355 8.355 7.803 0.552 17482 9579 1 16 . 1 1 108 108 LYS N N 108 123.177 123.177 124.455 -1.278 17482 9580 1 16 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.465 -0.110 17482 9581 1 16 . 1 1 108 108 LYS C C 108 175.406 175.406 175.618 -0.212 17482 9582 1 16 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.996 0.256 17482 9583 1 16 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.892 -0.928 17482 9584 1 16 . 1 1 108 108 LYS H H 108 7.739 7.739 8.289 -0.550 17482 9585 1 17 . 1 1 2 2 SER HA H 2 4.546 4.546 4.748 -0.202 17482 9586 1 17 . 1 1 2 2 SER CA C 2 58.499 58.499 57.275 1.224 17482 9587 1 17 . 1 1 2 2 SER CB C 2 64.011 64.011 64.383 -0.372 17482 9588 1 17 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.904 -0.302 17482 9589 1 17 . 1 1 3 3 ASP C C 3 176.010 176.010 175.441 0.569 17482 9590 1 17 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.779 0.957 17482 9591 1 17 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.318 -0.049 17482 9592 1 17 . 1 1 4 4 ALA N N 4 123.253 123.253 126.230 -2.977 17482 9593 1 17 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.515 -0.189 17482 9594 1 17 . 1 1 4 4 ALA C C 4 178.097 178.097 177.520 0.577 17482 9595 1 17 . 1 1 4 4 ALA CA C 4 52.847 52.847 51.823 1.024 17482 9596 1 17 . 1 1 4 4 ALA CB C 4 19.323 19.323 19.883 -0.560 17482 9597 1 17 . 1 1 4 4 ALA H H 4 8.095 8.095 8.327 -0.232 17482 9598 1 17 . 1 1 5 5 GLY N N 5 107.651 107.651 106.269 1.382 17482 9599 1 17 . 1 1 5 5 GLY C C 5 174.828 174.828 173.939 0.889 17482 9600 1 17 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.283 1.165 17482 9601 1 17 . 1 1 5 5 GLY H H 5 8.167 8.167 8.395 -0.228 17482 9602 1 17 . 1 1 6 6 ARG N N 6 120.230 120.230 120.120 0.110 17482 9603 1 17 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.226 0.123 17482 9604 1 17 . 1 1 6 6 ARG C C 6 176.562 176.562 176.098 0.464 17482 9605 1 17 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.515 -0.116 17482 9606 1 17 . 1 1 6 6 ARG CB C 6 30.831 30.831 30.864 -0.033 17482 9607 1 17 . 1 1 6 6 ARG H H 6 8.060 8.060 8.441 -0.381 17482 9608 1 17 . 1 1 7 7 LYS N N 7 121.076 121.076 118.492 2.584 17482 9609 1 17 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.109 0.148 17482 9610 1 17 . 1 1 7 7 LYS C C 7 177.010 177.010 177.299 -0.289 17482 9611 1 17 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.332 0.588 17482 9612 1 17 . 1 1 7 7 LYS CB C 7 32.831 32.831 31.666 1.165 17482 9613 1 17 . 1 1 7 7 LYS H H 7 8.181 8.181 8.675 -0.494 17482 9614 1 17 . 1 1 8 8 GLY N N 8 108.196 108.196 109.533 -1.337 17482 9615 1 17 . 1 1 8 8 GLY C C 8 174.828 174.828 175.901 -1.073 17482 9616 1 17 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.791 -0.962 17482 9617 1 17 . 1 1 8 8 GLY H H 8 8.141 8.141 8.679 -0.538 17482 9618 1 17 . 1 1 9 9 PHE N N 9 120.374 120.374 125.310 -4.936 17482 9619 1 17 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.566 -0.174 17482 9620 1 17 . 1 1 9 9 PHE C C 9 176.898 176.898 177.396 -0.498 17482 9621 1 17 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.616 1.364 17482 9622 1 17 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.124 0.429 17482 9623 1 17 . 1 1 9 9 PHE H H 9 8.072 8.072 8.125 -0.053 17482 9624 1 17 . 1 1 10 10 GLY N N 10 107.944 107.944 108.657 -0.713 17482 9625 1 17 . 1 1 10 10 GLY C C 10 175.441 175.441 175.446 -0.005 17482 9626 1 17 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.667 -0.845 17482 9627 1 17 . 1 1 10 10 GLY H H 10 8.431 8.431 8.700 -0.269 17482 9628 1 17 . 1 1 11 11 GLU N N 11 121.098 121.098 121.868 -0.770 17482 9629 1 17 . 1 1 11 11 GLU HA H 11 4.100 4.100 4.030 0.070 17482 9630 1 17 . 1 1 11 11 GLU C C 11 175.234 175.234 179.396 -4.162 17482 9631 1 17 . 1 1 11 11 GLU CA C 11 58.971 58.971 60.147 -1.175 17482 9632 1 17 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.496 0.402 17482 9633 1 17 . 1 1 11 11 GLU H H 11 8.003 8.003 8.583 -0.580 17482 9634 1 17 . 1 1 12 12 LYS N N 12 119.103 119.103 118.157 0.946 17482 9635 1 17 . 1 1 12 12 LYS HA H 12 4.144 4.144 3.961 0.183 17482 9636 1 17 . 1 1 12 12 LYS C C 12 178.520 178.520 178.867 -0.347 17482 9637 1 17 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.307 0.030 17482 9638 1 17 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.554 0.840 17482 9639 1 17 . 1 1 12 12 LYS H H 12 7.930 7.930 7.371 0.559 17482 9640 1 17 . 1 1 13 13 ALA N N 13 121.534 121.534 122.462 -0.928 17482 9641 1 17 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.928 0.083 17482 9642 1 17 . 1 1 13 13 ALA C C 13 178.364 178.364 179.735 -1.371 17482 9643 1 17 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.240 -0.512 17482 9644 1 17 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.799 0.660 17482 9645 1 17 . 1 1 13 13 ALA H H 13 8.216 8.216 8.374 -0.158 17482 9646 1 17 . 1 1 14 14 SER N N 14 111.263 111.263 112.489 -1.226 17482 9647 1 17 . 1 1 14 14 SER HA H 14 4.114 4.114 4.135 -0.021 17482 9648 1 17 . 1 1 14 14 SER C C 14 176.148 176.148 176.926 -0.778 17482 9649 1 17 . 1 1 14 14 SER CA C 14 61.159 61.159 61.256 -0.097 17482 9650 1 17 . 1 1 14 14 SER CB C 14 63.250 63.250 62.944 0.305 17482 9651 1 17 . 1 1 14 14 SER H H 14 8.000 8.000 8.132 -0.132 17482 9652 1 17 . 1 1 15 15 GLU N N 15 119.902 119.902 120.798 -0.896 17482 9653 1 17 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.134 0.032 17482 9654 1 17 . 1 1 15 15 GLU C C 15 177.493 177.493 177.810 -0.317 17482 9655 1 17 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.678 -0.665 17482 9656 1 17 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.651 0.290 17482 9657 1 17 . 1 1 15 15 GLU H H 15 7.724 7.724 7.398 0.326 17482 9658 1 17 . 1 1 16 16 ALA N N 16 120.687 120.687 122.258 -1.571 17482 9659 1 17 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.018 0.243 17482 9660 1 17 . 1 1 16 16 ALA C C 16 177.933 177.933 179.184 -1.251 17482 9661 1 17 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.961 -1.186 17482 9662 1 17 . 1 1 16 16 ALA CB C 16 19.544 19.544 18.982 0.562 17482 9663 1 17 . 1 1 16 16 ALA H H 16 7.726 7.726 8.114 -0.388 17482 9664 1 17 . 1 1 17 17 LEU N N 17 116.559 116.559 116.093 0.466 17482 9665 1 17 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.190 0.169 17482 9666 1 17 . 1 1 17 17 LEU C C 17 176.277 176.277 177.600 -1.323 17482 9667 1 17 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.846 -1.912 17482 9668 1 17 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.557 1.007 17482 9669 1 17 . 1 1 17 17 LEU H H 17 7.634 7.634 7.548 0.086 17482 9670 1 17 . 1 1 18 18 LYS N N 18 120.269 120.269 119.652 0.617 17482 9671 1 17 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.266 0.301 17482 9672 1 17 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.889 -1.400 17482 9673 1 17 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.276 0.244 17482 9674 1 17 . 1 1 18 18 LYS H H 18 7.761 7.761 7.553 0.208 17482 9675 1 17 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.398 0.045 17482 9676 1 17 . 1 1 19 19 PRO C C 19 176.984 176.984 175.920 1.064 17482 9677 1 17 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.197 0.636 17482 9678 1 17 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.316 -0.070 17482 9679 1 17 . 1 1 20 20 ASP N N 20 119.103 119.103 116.990 2.113 17482 9680 1 17 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.728 -0.126 17482 9681 1 17 . 1 1 20 20 ASP C C 20 176.639 176.639 175.653 0.986 17482 9682 1 17 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.049 0.448 17482 9683 1 17 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.164 0.067 17482 9684 1 17 . 1 1 20 20 ASP H H 20 8.383 8.383 8.229 0.154 17482 9685 1 17 . 1 1 21 21 SER N N 21 115.970 115.970 115.128 0.842 17482 9686 1 17 . 1 1 21 21 SER HA H 21 4.376 4.376 4.715 -0.339 17482 9687 1 17 . 1 1 21 21 SER C C 21 174.889 174.889 175.165 -0.276 17482 9688 1 17 . 1 1 21 21 SER CA C 21 59.093 59.093 57.525 1.568 17482 9689 1 17 . 1 1 21 21 SER CB C 21 63.860 63.860 64.162 -0.302 17482 9690 1 17 . 1 1 21 21 SER H H 21 8.054 8.054 7.628 0.426 17482 9691 1 17 . 1 1 22 22 GLN N N 22 120.766 120.766 119.946 0.820 17482 9692 1 17 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.250 0.028 17482 9693 1 17 . 1 1 22 22 GLN C C 22 175.984 175.984 176.425 -0.441 17482 9694 1 17 . 1 1 22 22 GLN CA C 22 56.739 56.739 56.881 -0.142 17482 9695 1 17 . 1 1 22 22 GLN CB C 22 29.191 29.191 28.819 0.372 17482 9696 1 17 . 1 1 22 22 GLN H H 22 8.452 8.452 8.600 -0.147 17482 9697 1 17 . 1 1 23 23 LYS N N 23 120.410 120.410 117.203 3.207 17482 9698 1 17 . 1 1 23 23 LYS HA H 23 4.337 4.337 3.962 0.375 17482 9699 1 17 . 1 1 23 23 LYS C C 23 176.191 176.191 176.992 -0.801 17482 9700 1 17 . 1 1 23 23 LYS CA C 23 56.208 56.208 57.044 -0.836 17482 9701 1 17 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.323 1.413 17482 9702 1 17 . 1 1 23 23 LYS H H 23 7.935 7.935 7.734 0.201 17482 9703 1 17 . 1 1 24 24 SER N N 24 117.302 117.302 115.115 2.187 17482 9704 1 17 . 1 1 24 24 SER HA H 24 4.492 4.492 4.428 0.064 17482 9705 1 17 . 1 1 24 24 SER C C 24 175.717 175.717 175.787 -0.070 17482 9706 1 17 . 1 1 24 24 SER CA C 24 58.145 58.145 59.528 -1.383 17482 9707 1 17 . 1 1 24 24 SER CB C 24 63.815 63.815 62.932 0.883 17482 9708 1 17 . 1 1 24 24 SER H H 24 8.365 8.365 8.711 -0.346 17482 9709 1 17 . 1 1 25 25 TYR N N 25 121.904 121.904 122.125 -0.221 17482 9710 1 17 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.427 -0.045 17482 9711 1 17 . 1 1 25 25 TYR C C 25 177.752 177.752 177.071 0.681 17482 9712 1 17 . 1 1 25 25 TYR CA C 25 60.945 60.945 60.947 -0.002 17482 9713 1 17 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.931 -0.110 17482 9714 1 17 . 1 1 25 25 TYR H H 25 8.205 8.205 8.446 -0.241 17482 9715 1 17 . 1 1 26 26 ALA N N 26 121.123 121.123 120.875 0.248 17482 9716 1 17 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.956 0.101 17482 9717 1 17 . 1 1 26 26 ALA C C 26 179.037 179.037 179.982 -0.945 17482 9718 1 17 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.413 0.124 17482 9719 1 17 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.003 0.471 17482 9720 1 17 . 1 1 26 26 ALA H H 26 8.233 8.233 7.824 0.409 17482 9721 1 17 . 1 1 27 27 GLU N N 27 117.313 117.313 118.147 -0.834 17482 9722 1 17 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.118 -0.101 17482 9723 1 17 . 1 1 27 27 GLU C C 27 179.166 179.166 179.069 0.097 17482 9724 1 17 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.406 0.072 17482 9725 1 17 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.758 0.108 17482 9726 1 17 . 1 1 27 27 GLU H H 27 7.922 7.922 7.921 0.001 17482 9727 1 17 . 1 1 28 28 GLN N N 28 118.602 118.602 119.075 -0.473 17482 9728 1 17 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.965 0.223 17482 9729 1 17 . 1 1 28 28 GLN C C 28 179.132 179.132 178.844 0.288 17482 9730 1 17 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.686 0.159 17482 9731 1 17 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.421 0.961 17482 9732 1 17 . 1 1 28 28 GLN H H 28 8.179 8.179 7.734 0.445 17482 9733 1 17 . 1 1 29 29 GLY N N 29 107.984 107.984 107.078 0.906 17482 9734 1 17 . 1 1 29 29 GLY C C 29 174.518 174.518 175.756 -1.238 17482 9735 1 17 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.814 0.772 17482 9736 1 17 . 1 1 29 29 GLY H H 29 8.804 8.804 8.705 0.099 17482 9737 1 17 . 1 1 30 30 LYS N N 30 121.339 121.339 122.321 -0.982 17482 9738 1 17 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.899 0.062 17482 9739 1 17 . 1 1 30 30 LYS C C 30 178.925 178.925 178.843 0.082 17482 9740 1 17 . 1 1 30 30 LYS CA C 30 60.400 60.400 59.946 0.454 17482 9741 1 17 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.352 0.075 17482 9742 1 17 . 1 1 30 30 LYS H H 30 8.406 8.406 7.447 0.959 17482 9743 1 17 . 1 1 31 31 GLU N N 31 119.880 119.880 118.844 1.036 17482 9744 1 17 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.069 -0.029 17482 9745 1 17 . 1 1 31 31 GLU C C 31 177.761 177.761 178.795 -1.034 17482 9746 1 17 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.634 0.897 17482 9747 1 17 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.136 0.395 17482 9748 1 17 . 1 1 31 31 GLU H H 31 8.090 8.090 8.165 -0.075 17482 9749 1 17 . 1 1 32 32 TYR N N 32 119.786 119.786 120.464 -0.678 17482 9750 1 17 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.193 0.078 17482 9751 1 17 . 1 1 32 32 TYR C C 32 178.054 178.054 177.655 0.399 17482 9752 1 17 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.984 -0.264 17482 9753 1 17 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.755 0.176 17482 9754 1 17 . 1 1 32 32 TYR H H 32 8.052 8.052 7.713 0.339 17482 9755 1 17 . 1 1 33 33 ILE N N 33 116.856 116.856 117.958 -1.102 17482 9756 1 17 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.688 0.104 17482 9757 1 17 . 1 1 33 33 ILE C C 33 177.519 177.519 178.021 -0.502 17482 9758 1 17 . 1 1 33 33 ILE CA C 33 64.019 64.019 64.930 -0.911 17482 9759 1 17 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.493 0.618 17482 9760 1 17 . 1 1 33 33 ILE H H 33 8.249 8.249 8.238 0.011 17482 9761 1 17 . 1 1 34 34 THR N N 34 114.203 114.203 115.575 -1.372 17482 9762 1 17 . 1 1 34 34 THR HA H 34 3.934 3.934 3.958 -0.024 17482 9763 1 17 . 1 1 34 34 THR C C 34 176.579 176.579 176.391 0.188 17482 9764 1 17 . 1 1 34 34 THR CA C 34 66.459 66.459 67.479 -1.020 17482 9765 1 17 . 1 1 34 34 THR CB C 34 68.845 68.845 68.593 0.252 17482 9766 1 17 . 1 1 34 34 THR H H 34 8.254 8.254 8.055 0.199 17482 9767 1 17 . 1 1 35 35 ASP N N 35 121.116 121.116 120.335 0.781 17482 9768 1 17 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.468 0.028 17482 9769 1 17 . 1 1 35 35 ASP C C 35 177.933 177.933 178.076 -0.143 17482 9770 1 17 . 1 1 35 35 ASP CA C 35 57.062 57.062 56.660 0.402 17482 9771 1 17 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.812 1.016 17482 9772 1 17 . 1 1 35 35 ASP H H 35 7.880 7.880 7.818 0.062 17482 9773 1 17 . 1 1 36 36 LYS N N 36 116.457 116.457 119.368 -2.911 17482 9774 1 17 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.058 0.099 17482 9775 1 17 . 1 1 36 36 LYS C C 36 177.968 177.968 178.608 -0.640 17482 9776 1 17 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.793 -1.922 17482 9777 1 17 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.263 -0.350 17482 9778 1 17 . 1 1 36 36 LYS H H 36 7.677 7.677 7.293 0.384 17482 9779 1 17 . 1 1 37 37 ALA N N 37 121.588 121.588 121.126 0.462 17482 9780 1 17 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.060 -0.055 17482 9781 1 17 . 1 1 37 37 ALA C C 37 178.795 178.795 179.958 -1.163 17482 9782 1 17 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.918 0.413 17482 9783 1 17 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.172 0.303 17482 9784 1 17 . 1 1 37 37 ALA H H 37 8.296 8.296 8.046 0.250 17482 9785 1 17 . 1 1 38 38 ASP N N 38 116.490 116.490 118.221 -1.731 17482 9786 1 17 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.482 -0.073 17482 9787 1 17 . 1 1 38 38 ASP C C 38 178.347 178.347 178.380 -0.033 17482 9788 1 17 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.044 -0.315 17482 9789 1 17 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.058 -0.010 17482 9790 1 17 . 1 1 38 38 ASP H H 38 8.046 8.046 7.622 0.424 17482 9791 1 17 . 1 1 39 39 LYS N N 39 118.627 118.627 120.618 -1.991 17482 9792 1 17 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.068 0.080 17482 9793 1 17 . 1 1 39 39 LYS C C 39 178.588 178.588 179.032 -0.444 17482 9794 1 17 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.512 -1.286 17482 9795 1 17 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.590 0.067 17482 9796 1 17 . 1 1 39 39 LYS H H 39 7.757 7.757 7.422 0.335 17482 9797 1 17 . 1 1 40 40 VAL N N 40 116.146 116.146 119.139 -2.993 17482 9798 1 17 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.767 0.142 17482 9799 1 17 . 1 1 40 40 VAL C C 40 176.683 176.683 177.443 -0.760 17482 9800 1 17 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.092 -0.684 17482 9801 1 17 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.272 1.062 17482 9802 1 17 . 1 1 40 40 VAL H H 40 7.792 7.792 8.268 -0.476 17482 9803 1 17 . 1 1 41 41 ALA N N 41 122.561 122.561 121.044 1.517 17482 9804 1 17 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.240 -0.117 17482 9805 1 17 . 1 1 41 41 ALA C C 41 179.106 179.106 179.842 -0.736 17482 9806 1 17 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.590 -0.061 17482 9807 1 17 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.478 0.123 17482 9808 1 17 . 1 1 41 41 ALA H H 41 8.094 8.094 7.469 0.625 17482 9809 1 17 . 1 1 42 42 GLY N N 42 105.072 105.072 107.054 -1.982 17482 9810 1 17 . 1 1 42 42 GLY C C 42 174.941 174.941 176.033 -1.092 17482 9811 1 17 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.415 -0.388 17482 9812 1 17 . 1 1 42 42 GLY H H 42 8.044 8.044 8.279 -0.235 17482 9813 1 17 . 1 1 43 43 LYS N N 43 119.123 119.123 119.708 -0.585 17482 9814 1 17 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.187 0.154 17482 9815 1 17 . 1 1 43 43 LYS C C 43 176.631 176.631 176.701 -0.070 17482 9816 1 17 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.654 0.144 17482 9817 1 17 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.795 0.601 17482 9818 1 17 . 1 1 43 43 LYS H H 43 7.834 7.834 8.223 -0.389 17482 9819 1 17 . 1 1 44 44 VAL N N 44 116.413 116.413 119.239 -2.826 17482 9820 1 17 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.165 -0.019 17482 9821 1 17 . 1 1 44 44 VAL C C 44 175.018 175.018 174.363 0.655 17482 9822 1 17 . 1 1 44 44 VAL CA C 44 62.331 62.331 60.897 1.434 17482 9823 1 17 . 1 1 44 44 VAL CB C 44 32.641 32.641 33.272 -0.631 17482 9824 1 17 . 1 1 44 44 VAL H H 44 7.650 7.650 7.075 0.575 17482 9825 1 17 . 1 1 45 45 GLN N N 45 122.078 122.078 128.241 -6.163 17482 9826 1 17 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.652 0.007 17482 9827 1 17 . 1 1 45 45 GLN CA C 45 53.664 53.664 52.573 1.091 17482 9828 1 17 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.450 0.879 17482 9829 1 17 . 1 1 45 45 GLN H H 45 8.154 8.154 8.441 -0.287 17482 9830 1 17 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.502 -0.069 17482 9831 1 17 . 1 1 46 46 PRO C C 46 177.329 177.329 176.801 0.528 17482 9832 1 17 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.613 1.141 17482 9833 1 17 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.539 -0.308 17482 9834 1 17 . 1 1 47 47 GLU N N 47 119.456 119.456 118.173 1.283 17482 9835 1 17 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.086 0.125 17482 9836 1 17 . 1 1 47 47 GLU C C 47 176.484 176.484 176.101 0.383 17482 9837 1 17 . 1 1 47 47 GLU CA C 47 57.468 57.468 57.982 -0.514 17482 9838 1 17 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.580 0.749 17482 9839 1 17 . 1 1 47 47 GLU H H 47 8.491 8.491 8.331 0.160 17482 9840 1 17 . 1 1 48 48 ASP N N 48 119.108 119.108 116.116 2.992 17482 9841 1 17 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.774 -0.190 17482 9842 1 17 . 1 1 48 48 ASP C C 48 175.863 175.863 174.954 0.909 17482 9843 1 17 . 1 1 48 48 ASP CA C 48 54.579 54.579 52.651 1.928 17482 9844 1 17 . 1 1 48 48 ASP CB C 48 41.131 41.131 43.144 -2.013 17482 9845 1 17 . 1 1 48 48 ASP H H 48 8.137 8.137 7.798 0.339 17482 9846 1 17 . 1 1 49 49 ASN N N 49 117.714 117.714 116.973 0.741 17482 9847 1 17 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.654 0.011 17482 9848 1 17 . 1 1 49 49 ASN C C 49 174.975 174.975 174.179 0.796 17482 9849 1 17 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.718 0.010 17482 9850 1 17 . 1 1 49 49 ASN CB C 49 39.131 39.131 39.515 -0.384 17482 9851 1 17 . 1 1 49 49 ASN H H 49 8.173 8.173 8.375 -0.202 17482 9852 1 17 . 1 1 50 50 LYS N N 50 120.215 120.215 119.053 1.162 17482 9853 1 17 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.462 -0.154 17482 9854 1 17 . 1 1 50 50 LYS C C 50 176.950 176.950 175.286 1.664 17482 9855 1 17 . 1 1 50 50 LYS CA C 50 56.828 56.828 55.490 1.338 17482 9856 1 17 . 1 1 50 50 LYS CB C 50 33.031 33.031 34.002 -0.971 17482 9857 1 17 . 1 1 50 50 LYS H H 50 8.098 8.098 7.843 0.255 17482 9858 1 17 . 1 1 51 51 GLY N N 51 109.286 109.286 106.814 2.472 17482 9859 1 17 . 1 1 51 51 GLY C C 51 175.251 175.251 174.948 0.303 17482 9860 1 17 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.398 0.515 17482 9861 1 17 . 1 1 51 51 GLY H H 51 8.295 8.295 8.378 -0.083 17482 9862 1 17 . 1 1 52 52 VAL N N 52 119.528 119.528 120.222 -0.694 17482 9863 1 17 . 1 1 52 52 VAL HA H 52 3.864 3.864 4.091 -0.227 17482 9864 1 17 . 1 1 52 52 VAL C C 52 176.372 176.372 176.839 -0.467 17482 9865 1 17 . 1 1 52 52 VAL CA C 52 64.346 64.346 63.633 0.713 17482 9866 1 17 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.993 0.237 17482 9867 1 17 . 1 1 52 52 VAL H H 52 7.940 7.940 8.072 -0.132 17482 9868 1 17 . 1 1 53 53 PHE N N 53 118.265 118.265 118.437 -0.172 17482 9869 1 17 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.549 0.044 17482 9870 1 17 . 1 1 53 53 PHE C C 53 176.441 176.441 177.630 -1.189 17482 9871 1 17 . 1 1 53 53 PHE CA C 53 58.676 58.676 59.271 -0.595 17482 9872 1 17 . 1 1 53 53 PHE CB C 53 38.635 38.635 39.183 -0.548 17482 9873 1 17 . 1 1 53 53 PHE H H 53 8.046 8.046 8.071 -0.025 17482 9874 1 17 . 1 1 54 54 GLN N N 54 119.441 119.441 119.642 -0.201 17482 9875 1 17 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.104 0.067 17482 9876 1 17 . 1 1 54 54 GLN C C 54 177.166 177.166 178.575 -1.409 17482 9877 1 17 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.408 -1.859 17482 9878 1 17 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.214 1.285 17482 9879 1 17 . 1 1 54 54 GLN H H 54 7.978 7.978 8.727 -0.749 17482 9880 1 17 . 1 1 55 55 GLY N N 55 107.822 107.822 106.631 1.191 17482 9881 1 17 . 1 1 55 55 GLY C C 55 175.294 175.294 175.606 -0.312 17482 9882 1 17 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.151 0.037 17482 9883 1 17 . 1 1 55 55 GLY H H 55 8.120 8.120 8.407 -0.287 17482 9884 1 17 . 1 1 56 56 VAL N N 56 119.174 119.174 121.354 -2.180 17482 9885 1 17 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.608 0.364 17482 9886 1 17 . 1 1 56 56 VAL C C 56 176.527 176.527 177.693 -1.166 17482 9887 1 17 . 1 1 56 56 VAL CA C 56 64.004 64.004 66.409 -2.405 17482 9888 1 17 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.768 0.424 17482 9889 1 17 . 1 1 56 56 VAL H H 56 7.774 7.774 7.979 -0.205 17482 9890 1 17 . 1 1 57 57 HIS N N 57 119.221 119.221 117.843 1.378 17482 9891 1 17 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.216 0.326 17482 9892 1 17 . 1 1 57 57 HIS CA C 57 56.973 56.973 58.053 -1.079 17482 9893 1 17 . 1 1 57 57 HIS CB C 57 29.608 29.608 29.847 -0.239 17482 9894 1 17 . 1 1 57 57 HIS H H 57 8.201 8.201 7.957 0.244 17482 9895 1 17 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.433 0.147 17482 9896 1 17 . 1 1 58 58 ASP C C 58 177.097 177.097 177.884 -0.787 17482 9897 1 17 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.161 -1.140 17482 9898 1 17 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.886 0.350 17482 9899 1 17 . 1 1 59 59 SER N N 59 116.347 116.347 116.373 -0.026 17482 9900 1 17 . 1 1 59 59 SER HA H 59 4.372 4.372 4.110 0.262 17482 9901 1 17 . 1 1 59 59 SER C C 59 175.087 175.087 175.912 -0.825 17482 9902 1 17 . 1 1 59 59 SER CA C 59 59.207 59.207 61.578 -2.371 17482 9903 1 17 . 1 1 59 59 SER CB C 59 63.780 63.780 63.117 0.663 17482 9904 1 17 . 1 1 59 59 SER H H 59 8.134 8.134 7.891 0.243 17482 9905 1 17 . 1 1 60 60 ALA N N 60 125.097 125.097 121.196 3.901 17482 9906 1 17 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.127 0.126 17482 9907 1 17 . 1 1 60 60 ALA C C 60 178.192 178.192 178.483 -0.291 17482 9908 1 17 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.230 -0.669 17482 9909 1 17 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.870 0.208 17482 9910 1 17 . 1 1 60 60 ALA H H 60 8.203 8.203 7.715 0.488 17482 9911 1 17 . 1 1 61 61 GLU N N 61 118.432 118.432 118.770 -0.338 17482 9912 1 17 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.313 -0.113 17482 9913 1 17 . 1 1 61 61 GLU C C 61 177.036 177.036 177.359 -0.323 17482 9914 1 17 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.558 -0.334 17482 9915 1 17 . 1 1 61 61 GLU CB C 61 30.228 30.228 30.050 0.178 17482 9916 1 17 . 1 1 61 61 GLU H H 61 8.095 8.095 7.491 0.604 17482 9917 1 17 . 1 1 62 62 LYS N N 62 120.770 120.770 118.760 2.010 17482 9918 1 17 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.200 0.097 17482 9919 1 17 . 1 1 62 62 LYS C C 62 177.450 177.450 176.506 0.944 17482 9920 1 17 . 1 1 62 62 LYS CA C 62 56.826 56.826 56.580 0.246 17482 9921 1 17 . 1 1 62 62 LYS CB C 62 32.943 32.943 33.244 -0.301 17482 9922 1 17 . 1 1 62 62 LYS H H 62 7.969 7.969 8.233 -0.264 17482 9923 1 17 . 1 1 63 63 GLY N N 63 108.912 108.912 108.013 0.899 17482 9924 1 17 . 1 1 63 63 GLY C C 63 174.432 174.432 173.493 0.939 17482 9925 1 17 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.964 0.787 17482 9926 1 17 . 1 1 63 63 GLY H H 63 8.287 8.287 8.295 -0.008 17482 9927 1 17 . 1 1 64 64 LYS N N 64 120.529 120.529 121.992 -1.463 17482 9928 1 17 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.780 -0.482 17482 9929 1 17 . 1 1 64 64 LYS C C 64 176.622 176.622 174.754 1.868 17482 9930 1 17 . 1 1 64 64 LYS CA C 64 56.731 56.731 55.063 1.668 17482 9931 1 17 . 1 1 64 64 LYS CB C 64 33.117 33.117 34.084 -0.967 17482 9932 1 17 . 1 1 64 64 LYS H H 64 8.019 8.019 8.416 -0.397 17482 9933 1 17 . 1 1 65 65 ASP N N 65 120.673 120.673 117.999 2.674 17482 9934 1 17 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.613 -0.033 17482 9935 1 17 . 1 1 65 65 ASP C C 65 176.226 176.226 175.126 1.100 17482 9936 1 17 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.145 1.638 17482 9937 1 17 . 1 1 65 65 ASP CB C 65 41.172 41.172 42.845 -1.673 17482 9938 1 17 . 1 1 65 65 ASP H H 65 8.296 8.296 8.273 0.023 17482 9939 1 17 . 1 1 66 66 ASN N N 66 118.902 118.902 117.129 1.773 17482 9940 1 17 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.411 0.279 17482 9941 1 17 . 1 1 66 66 ASN C C 66 175.217 175.217 173.348 1.869 17482 9942 1 17 . 1 1 66 66 ASN CA C 66 53.475 53.475 53.870 -0.395 17482 9943 1 17 . 1 1 66 66 ASN CB C 66 39.117 39.117 38.915 0.202 17482 9944 1 17 . 1 1 66 66 ASN H H 66 8.212 8.212 8.514 -0.302 17482 9945 1 17 . 1 1 67 67 ALA N N 67 124.149 124.149 122.562 1.587 17482 9946 1 17 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.504 -0.204 17482 9947 1 17 . 1 1 67 67 ALA C C 67 177.890 177.890 175.219 2.671 17482 9948 1 17 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.299 0.754 17482 9949 1 17 . 1 1 67 67 ALA CB C 67 19.427 19.427 20.735 -1.308 17482 9950 1 17 . 1 1 67 67 ALA H H 67 8.212 8.212 8.259 -0.047 17482 9951 1 17 . 1 1 68 68 GLU N N 68 119.216 119.216 118.853 0.363 17482 9952 1 17 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.351 -0.080 17482 9953 1 17 . 1 1 68 68 GLU C C 68 177.243 177.243 177.251 -0.008 17482 9954 1 17 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.079 0.718 17482 9955 1 17 . 1 1 68 68 GLU CB C 68 30.159 30.159 32.071 -1.912 17482 9956 1 17 . 1 1 68 68 GLU H H 68 8.286 8.286 8.532 -0.246 17482 9957 1 17 . 1 1 69 69 GLY N N 69 109.637 109.637 109.201 0.436 17482 9958 1 17 . 1 1 69 69 GLY C C 69 174.371 174.371 173.476 0.895 17482 9959 1 17 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.340 0.294 17482 9960 1 17 . 1 1 69 69 GLY H H 69 8.293 8.293 8.026 0.267 17482 9961 1 17 . 1 1 70 70 GLN N N 70 119.629 119.629 118.304 1.325 17482 9962 1 17 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.014 0.379 17482 9963 1 17 . 1 1 70 70 GLN C C 70 176.502 176.502 175.486 1.016 17482 9964 1 17 . 1 1 70 70 GLN CA C 70 56.046 56.046 56.196 -0.150 17482 9965 1 17 . 1 1 70 70 GLN CB C 70 29.627 29.627 28.129 1.498 17482 9966 1 17 . 1 1 70 70 GLN H H 70 8.201 8.201 8.626 -0.425 17482 9967 1 17 . 1 1 71 71 GLY N N 71 109.977 109.977 110.193 -0.216 17482 9968 1 17 . 1 1 71 71 GLY C C 71 173.992 173.992 173.520 0.472 17482 9969 1 17 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.307 1.327 17482 9970 1 17 . 1 1 71 71 GLY H H 71 8.424 8.424 7.937 0.487 17482 9971 1 17 . 1 1 72 72 GLU N N 72 120.532 120.532 119.234 1.298 17482 9972 1 17 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.246 0.165 17482 9973 1 17 . 1 1 72 72 GLU C C 72 176.639 176.639 175.933 0.706 17482 9974 1 17 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.332 0.286 17482 9975 1 17 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.091 0.640 17482 9976 1 17 . 1 1 72 72 GLU H H 72 8.244 8.244 8.390 -0.146 17482 9977 1 17 . 1 1 73 73 SER N N 73 117.827 117.827 113.054 4.773 17482 9978 1 17 . 1 1 73 73 SER HA H 73 4.589 4.589 4.241 0.348 17482 9979 1 17 . 1 1 73 73 SER C C 73 175.475 175.475 175.258 0.217 17482 9980 1 17 . 1 1 73 73 SER CA C 73 58.064 58.064 57.890 0.174 17482 9981 1 17 . 1 1 73 73 SER CB C 73 64.761 64.761 63.182 1.579 17482 9982 1 17 . 1 1 73 73 SER H H 73 8.689 8.689 8.498 0.191 17482 9983 1 17 . 1 1 74 74 LEU N N 74 124.414 124.414 125.243 -0.829 17482 9984 1 17 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.055 0.146 17482 9985 1 17 . 1 1 74 74 LEU C C 74 178.735 178.735 177.806 0.929 17482 9986 1 17 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.639 0.256 17482 9987 1 17 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.827 0.107 17482 9988 1 17 . 1 1 74 74 LEU H H 74 8.514 8.514 8.499 0.015 17482 9989 1 17 . 1 1 75 75 ALA N N 75 120.291 120.291 120.092 0.199 17482 9990 1 17 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.975 0.015 17482 9991 1 17 . 1 1 75 75 ALA C C 75 179.046 179.046 180.078 -1.032 17482 9992 1 17 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.993 0.274 17482 9993 1 17 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.625 0.969 17482 9994 1 17 . 1 1 75 75 ALA H H 75 8.160 8.160 8.275 -0.115 17482 9995 1 17 . 1 1 76 76 ASP N N 76 117.288 117.288 117.434 -0.146 17482 9996 1 17 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.541 -0.135 17482 9997 1 17 . 1 1 76 76 ASP C C 76 178.476 178.476 178.654 -0.178 17482 9998 1 17 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.987 0.146 17482 9999 1 17 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.026 -0.374 17482 10000 1 17 . 1 1 76 76 ASP H H 76 7.773 7.773 8.153 -0.380 17482 10001 1 17 . 1 1 77 77 GLN N N 77 119.454 119.454 118.954 0.500 17482 10002 1 17 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.162 -0.000 17482 10003 1 17 . 1 1 77 77 GLN C C 77 178.037 178.037 178.111 -0.074 17482 10004 1 17 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.365 0.016 17482 10005 1 17 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.841 0.639 17482 10006 1 17 . 1 1 77 77 GLN H H 77 7.994 7.994 7.661 0.333 17482 10007 1 17 . 1 1 78 78 ALA N N 78 121.577 121.577 123.094 -1.517 17482 10008 1 17 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.148 0.001 17482 10009 1 17 . 1 1 78 78 ALA C C 78 178.977 178.977 179.433 -0.456 17482 10010 1 17 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.278 -0.147 17482 10011 1 17 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.228 0.427 17482 10012 1 17 . 1 1 78 78 ALA H H 78 8.498 8.498 8.626 -0.128 17482 10013 1 17 . 1 1 79 79 ARG N N 79 117.138 117.138 118.458 -1.320 17482 10014 1 17 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.009 0.003 17482 10015 1 17 . 1 1 79 79 ARG C C 79 175.449 175.449 178.634 -3.185 17482 10016 1 17 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.492 0.011 17482 10017 1 17 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.891 0.255 17482 10018 1 17 . 1 1 79 79 ARG H H 79 8.101 8.101 7.738 0.363 17482 10019 1 17 . 1 1 80 80 ASP N N 80 120.784 120.784 119.491 1.293 17482 10020 1 17 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.507 0.006 17482 10021 1 17 . 1 1 80 80 ASP C C 80 178.882 178.882 178.394 0.488 17482 10022 1 17 . 1 1 80 80 ASP CA C 80 56.876 56.876 56.834 0.042 17482 10023 1 17 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.815 -0.487 17482 10024 1 17 . 1 1 80 80 ASP H H 80 8.000 8.000 7.644 0.356 17482 10025 1 17 . 1 1 81 81 TYR N N 81 120.298 120.298 121.486 -1.188 17482 10026 1 17 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.287 0.143 17482 10027 1 17 . 1 1 81 81 TYR C C 81 177.855 177.855 177.746 0.109 17482 10028 1 17 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.369 0.465 17482 10029 1 17 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.644 -0.166 17482 10030 1 17 . 1 1 81 81 TYR H H 81 8.127 8.127 7.567 0.560 17482 10031 1 17 . 1 1 82 82 MET N N 82 118.452 118.452 118.355 0.097 17482 10032 1 17 . 1 1 82 82 MET HA H 82 4.239 4.239 4.040 0.199 17482 10033 1 17 . 1 1 82 82 MET C C 82 178.175 178.175 179.418 -1.243 17482 10034 1 17 . 1 1 82 82 MET CA C 82 58.757 58.757 58.532 0.225 17482 10035 1 17 . 1 1 82 82 MET CB C 82 32.631 32.631 32.139 0.492 17482 10036 1 17 . 1 1 82 82 MET H H 82 8.382 8.382 8.781 -0.399 17482 10037 1 17 . 1 1 83 83 GLY N N 83 106.740 106.740 106.478 0.262 17482 10038 1 17 . 1 1 83 83 GLY C C 83 176.717 176.717 175.009 1.708 17482 10039 1 17 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.157 0.174 17482 10040 1 17 . 1 1 83 83 GLY H H 83 8.308 8.308 7.980 0.328 17482 10041 1 17 . 1 1 84 84 ALA N N 84 125.357 125.357 124.106 1.251 17482 10042 1 17 . 1 1 84 84 ALA HA H 84 4.287 4.287 3.922 0.365 17482 10043 1 17 . 1 1 84 84 ALA C C 84 180.149 180.149 179.048 1.101 17482 10044 1 17 . 1 1 84 84 ALA CA C 84 54.648 54.648 55.080 -0.431 17482 10045 1 17 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.312 0.229 17482 10046 1 17 . 1 1 84 84 ALA H H 84 7.905 7.905 7.500 0.405 17482 10047 1 17 . 1 1 85 85 ALA N N 85 121.332 121.332 121.017 0.315 17482 10048 1 17 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.892 0.133 17482 10049 1 17 . 1 1 85 85 ALA C C 85 178.847 178.847 179.750 -0.903 17482 10050 1 17 . 1 1 85 85 ALA CA C 85 55.283 55.283 55.017 0.266 17482 10051 1 17 . 1 1 85 85 ALA CB C 85 18.487 18.487 17.941 0.546 17482 10052 1 17 . 1 1 85 85 ALA H H 85 8.341 8.341 7.566 0.775 17482 10053 1 17 . 1 1 86 86 LYS N N 86 116.980 116.980 118.359 -1.379 17482 10054 1 17 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.861 0.011 17482 10055 1 17 . 1 1 86 86 LYS C C 86 178.485 178.485 178.985 -0.500 17482 10056 1 17 . 1 1 86 86 LYS CA C 86 60.193 60.193 58.954 1.239 17482 10057 1 17 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.496 0.835 17482 10058 1 17 . 1 1 86 86 LYS H H 86 8.360 8.360 7.459 0.901 17482 10059 1 17 . 1 1 87 87 SER N N 87 113.632 113.632 114.902 -1.270 17482 10060 1 17 . 1 1 87 87 SER HA H 87 4.299 4.299 4.156 0.143 17482 10061 1 17 . 1 1 87 87 SER C C 87 176.467 176.467 176.744 -0.277 17482 10062 1 17 . 1 1 87 87 SER CA C 87 61.614 61.614 61.413 0.201 17482 10063 1 17 . 1 1 87 87 SER CB C 87 63.064 63.064 62.931 0.133 17482 10064 1 17 . 1 1 87 87 SER H H 87 7.863 7.863 7.770 0.093 17482 10065 1 17 . 1 1 88 88 LYS N N 88 120.925 120.925 121.341 -0.416 17482 10066 1 17 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.026 0.319 17482 10067 1 17 . 1 1 88 88 LYS C C 88 178.502 178.502 179.169 -0.667 17482 10068 1 17 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.698 -1.002 17482 10069 1 17 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.068 -0.057 17482 10070 1 17 . 1 1 88 88 LYS H H 88 7.843 7.843 7.749 0.094 17482 10071 1 17 . 1 1 89 89 LEU N N 89 119.955 119.955 121.943 -1.988 17482 10072 1 17 . 1 1 89 89 LEU HA H 89 4.105 4.105 4.007 0.098 17482 10073 1 17 . 1 1 89 89 LEU C C 89 178.209 178.209 178.660 -0.451 17482 10074 1 17 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.606 0.591 17482 10075 1 17 . 1 1 89 89 LEU CB C 89 41.631 41.631 40.835 0.796 17482 10076 1 17 . 1 1 89 89 LEU H H 89 8.174 8.174 8.581 -0.407 17482 10077 1 17 . 1 1 90 90 ASN N N 90 117.013 117.013 117.519 -0.506 17482 10078 1 17 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.351 0.042 17482 10079 1 17 . 1 1 90 90 ASN C C 90 174.164 174.164 178.094 -3.930 17482 10080 1 17 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.670 0.496 17482 10081 1 17 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.200 0.752 17482 10082 1 17 . 1 1 90 90 ASN H H 90 8.223 8.223 8.014 0.209 17482 10083 1 17 . 1 1 91 91 ASP N N 91 119.959 119.959 119.602 0.357 17482 10084 1 17 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.538 -0.081 17482 10085 1 17 . 1 1 91 91 ASP C C 91 178.804 178.804 177.573 1.231 17482 10086 1 17 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.265 0.173 17482 10087 1 17 . 1 1 91 91 ASP CB C 91 40.179 40.179 41.136 -0.958 17482 10088 1 17 . 1 1 91 91 ASP H H 91 8.043 8.043 7.759 0.284 17482 10089 1 17 . 1 1 92 92 ALA N N 92 123.900 123.900 123.157 0.743 17482 10090 1 17 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.237 -0.034 17482 10091 1 17 . 1 1 92 92 ALA C C 92 178.951 178.951 179.835 -0.884 17482 10092 1 17 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.894 0.643 17482 10093 1 17 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.743 -0.239 17482 10094 1 17 . 1 1 92 92 ALA H H 92 8.256 8.256 7.524 0.732 17482 10095 1 17 . 1 1 93 93 VAL N N 93 118.228 118.228 119.498 -1.270 17482 10096 1 17 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.552 0.042 17482 10097 1 17 . 1 1 93 93 VAL C C 93 178.761 178.761 178.107 0.654 17482 10098 1 17 . 1 1 93 93 VAL CA C 93 67.157 67.157 66.747 0.410 17482 10099 1 17 . 1 1 93 93 VAL CB C 93 31.795 31.795 30.416 1.379 17482 10100 1 17 . 1 1 93 93 VAL H H 93 8.449 8.449 8.800 -0.351 17482 10101 1 17 . 1 1 94 94 GLU N N 94 120.485 120.485 119.357 1.128 17482 10102 1 17 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.954 0.091 17482 10103 1 17 . 1 1 94 94 GLU C C 94 179.347 179.347 179.351 -0.004 17482 10104 1 17 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.016 -0.385 17482 10105 1 17 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.499 0.032 17482 10106 1 17 . 1 1 94 94 GLU H H 94 8.175 8.175 7.831 0.344 17482 10107 1 17 . 1 1 95 95 TYR N N 95 120.806 120.806 119.797 1.009 17482 10108 1 17 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.284 -0.056 17482 10109 1 17 . 1 1 95 95 TYR C C 95 178.407 178.407 177.678 0.729 17482 10110 1 17 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.263 0.298 17482 10111 1 17 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.641 -0.010 17482 10112 1 17 . 1 1 95 95 TYR H H 95 8.197 8.197 7.394 0.803 17482 10113 1 17 . 1 1 96 96 VAL N N 96 118.584 118.584 119.522 -0.938 17482 10114 1 17 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.645 -0.162 17482 10115 1 17 . 1 1 96 96 VAL C C 96 177.752 177.752 178.199 -0.447 17482 10116 1 17 . 1 1 96 96 VAL CA C 96 66.680 66.680 66.129 0.551 17482 10117 1 17 . 1 1 96 96 VAL CB C 96 32.022 32.022 30.815 1.207 17482 10118 1 17 . 1 1 96 96 VAL H H 96 8.525 8.525 8.556 -0.031 17482 10119 1 17 . 1 1 97 97 SER N N 97 114.566 114.566 114.461 0.105 17482 10120 1 17 . 1 1 97 97 SER HA H 97 4.080 4.080 4.124 -0.044 17482 10121 1 17 . 1 1 97 97 SER C C 97 176.803 176.803 176.588 0.215 17482 10122 1 17 . 1 1 97 97 SER CA C 97 61.800 61.800 62.086 -0.286 17482 10123 1 17 . 1 1 97 97 SER CB C 97 63.258 63.258 62.890 0.368 17482 10124 1 17 . 1 1 97 97 SER H H 97 8.642 8.642 8.846 -0.204 17482 10125 1 17 . 1 1 98 98 GLY N N 98 107.586 107.586 106.678 0.908 17482 10126 1 17 . 1 1 98 98 GLY C C 98 175.553 175.553 174.961 0.592 17482 10127 1 17 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.720 0.836 17482 10128 1 17 . 1 1 98 98 GLY H H 98 7.926 7.926 7.551 0.375 17482 10129 1 17 . 1 1 99 99 ARG N N 99 119.948 119.948 119.907 0.041 17482 10130 1 17 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.376 -0.173 17482 10131 1 17 . 1 1 99 99 ARG C C 99 177.830 177.830 178.597 -0.767 17482 10132 1 17 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.601 -0.472 17482 10133 1 17 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.872 -0.660 17482 10134 1 17 . 1 1 99 99 ARG H H 99 7.611 7.611 7.353 0.258 17482 10135 1 17 . 1 1 100 100 VAL N N 100 116.709 116.709 121.491 -4.782 17482 10136 1 17 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.691 0.249 17482 10137 1 17 . 1 1 100 100 VAL C C 100 176.381 176.381 177.081 -0.700 17482 10138 1 17 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.445 -1.514 17482 10139 1 17 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.401 0.930 17482 10140 1 17 . 1 1 100 100 VAL H H 100 7.906 7.906 8.773 -0.867 17482 10141 1 17 . 1 1 101 101 HIS N N 101 117.584 117.584 118.723 -1.139 17482 10142 1 17 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.246 0.529 17482 10143 1 17 . 1 1 101 101 HIS C C 101 175.484 175.484 176.402 -0.918 17482 10144 1 17 . 1 1 101 101 HIS CA C 101 55.862 55.862 58.771 -2.909 17482 10145 1 17 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.530 -0.013 17482 10146 1 17 . 1 1 101 101 HIS H H 101 8.061 8.061 7.889 0.172 17482 10147 1 17 . 1 1 102 102 GLY N N 102 109.164 109.164 105.910 3.254 17482 10148 1 17 . 1 1 102 102 GLY C C 102 174.121 174.121 174.373 -0.252 17482 10149 1 17 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.454 0.265 17482 10150 1 17 . 1 1 102 102 GLY H H 102 7.990 7.990 7.956 0.034 17482 10151 1 17 . 1 1 103 103 GLU N N 103 120.493 120.493 120.071 0.422 17482 10152 1 17 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.479 -0.164 17482 10153 1 17 . 1 1 103 103 GLU C C 103 176.467 176.467 175.431 1.036 17482 10154 1 17 . 1 1 103 103 GLU CA C 103 56.451 56.451 54.612 1.839 17482 10155 1 17 . 1 1 103 103 GLU CB C 103 30.731 30.731 31.899 -1.168 17482 10156 1 17 . 1 1 103 103 GLU H H 103 8.320 8.320 7.923 0.397 17482 10157 1 17 . 1 1 104 104 GLU N N 104 122.018 122.018 122.211 -0.193 17482 10158 1 17 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.052 0.211 17482 10159 1 17 . 1 1 104 104 GLU C C 104 175.820 175.820 175.676 0.144 17482 10160 1 17 . 1 1 104 104 GLU CA C 104 56.480 56.480 58.100 -1.620 17482 10161 1 17 . 1 1 104 104 GLU CB C 104 30.654 30.654 29.553 1.101 17482 10162 1 17 . 1 1 104 104 GLU H H 104 8.358 8.358 8.491 -0.133 17482 10163 1 17 . 1 1 105 105 ASP N N 105 122.625 122.625 122.968 -0.343 17482 10164 1 17 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.823 0.075 17482 10165 1 17 . 1 1 105 105 ASP CA C 105 51.728 51.728 52.886 -1.158 17482 10166 1 17 . 1 1 105 105 ASP CB C 105 41.614 41.614 43.374 -1.760 17482 10167 1 17 . 1 1 105 105 ASP H H 105 8.350 8.350 7.916 0.434 17482 10168 1 17 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.523 -0.057 17482 10169 1 17 . 1 1 106 106 PRO C C 106 177.605 177.605 176.282 1.323 17482 10170 1 17 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.205 0.716 17482 10171 1 17 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.142 0.154 17482 10172 1 17 . 1 1 107 107 THR N N 107 111.954 111.954 115.585 -3.631 17482 10173 1 17 . 1 1 107 107 THR HA H 107 4.281 4.281 4.640 -0.359 17482 10174 1 17 . 1 1 107 107 THR C C 107 174.889 174.889 173.535 1.354 17482 10175 1 17 . 1 1 107 107 THR CA C 107 62.896 62.896 62.288 0.607 17482 10176 1 17 . 1 1 107 107 THR CB C 107 69.593 69.593 70.991 -1.398 17482 10177 1 17 . 1 1 107 107 THR H H 107 8.355 8.355 8.186 0.169 17482 10178 1 17 . 1 1 108 108 LYS N N 108 123.177 123.177 122.769 0.408 17482 10179 1 17 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.446 -0.091 17482 10180 1 17 . 1 1 108 108 LYS C C 108 175.406 175.406 174.818 0.588 17482 10181 1 17 . 1 1 108 108 LYS CA C 108 56.252 56.252 56.968 -0.716 17482 10182 1 17 . 1 1 108 108 LYS CB C 108 32.964 32.964 32.205 0.759 17482 10183 1 17 . 1 1 108 108 LYS H H 108 7.739 7.739 8.651 -0.912 17482 10184 1 18 . 1 1 2 2 SER HA H 2 4.546 4.546 5.301 -0.755 17482 10185 1 18 . 1 1 2 2 SER CA C 2 58.499 58.499 57.175 1.324 17482 10186 1 18 . 1 1 2 2 SER CB C 2 64.011 64.011 65.494 -1.483 17482 10187 1 18 . 1 1 3 3 ASP HA H 3 4.602 4.602 5.349 -0.747 17482 10188 1 18 . 1 1 3 3 ASP C C 3 176.010 176.010 174.162 1.848 17482 10189 1 18 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.940 0.796 17482 10190 1 18 . 1 1 3 3 ASP CB C 3 41.269 41.269 42.868 -1.599 17482 10191 1 18 . 1 1 4 4 ALA N N 4 123.253 123.253 122.131 1.122 17482 10192 1 18 . 1 1 4 4 ALA HA H 4 4.326 4.326 5.227 -0.901 17482 10193 1 18 . 1 1 4 4 ALA C C 4 178.097 178.097 176.043 2.054 17482 10194 1 18 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.048 0.799 17482 10195 1 18 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.673 -1.350 17482 10196 1 18 . 1 1 4 4 ALA H H 4 8.095 8.095 9.114 -1.019 17482 10197 1 18 . 1 1 5 5 GLY N N 5 107.651 107.651 107.769 -0.118 17482 10198 1 18 . 1 1 5 5 GLY C C 5 174.828 174.828 173.189 1.639 17482 10199 1 18 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.196 1.252 17482 10200 1 18 . 1 1 5 5 GLY H H 5 8.167 8.167 8.902 -0.735 17482 10201 1 18 . 1 1 6 6 ARG N N 6 120.230 120.230 120.558 -0.328 17482 10202 1 18 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.705 -0.356 17482 10203 1 18 . 1 1 6 6 ARG C C 6 176.562 176.562 175.887 0.675 17482 10204 1 18 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.194 0.205 17482 10205 1 18 . 1 1 6 6 ARG CB C 6 30.831 30.831 31.858 -1.027 17482 10206 1 18 . 1 1 6 6 ARG H H 6 8.060 8.060 8.592 -0.532 17482 10207 1 18 . 1 1 7 7 LYS N N 7 121.076 121.076 121.146 -0.070 17482 10208 1 18 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.530 -0.273 17482 10209 1 18 . 1 1 7 7 LYS C C 7 177.010 177.010 177.860 -0.850 17482 10210 1 18 . 1 1 7 7 LYS CA C 7 56.920 56.920 55.465 1.455 17482 10211 1 18 . 1 1 7 7 LYS CB C 7 32.831 32.831 34.306 -1.475 17482 10212 1 18 . 1 1 7 7 LYS H H 7 8.181 8.181 8.297 -0.116 17482 10213 1 18 . 1 1 8 8 GLY N N 8 108.196 108.196 108.696 -0.500 17482 10214 1 18 . 1 1 8 8 GLY C C 8 174.828 174.828 175.626 -0.798 17482 10215 1 18 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.200 -0.371 17482 10216 1 18 . 1 1 8 8 GLY H H 8 8.141 8.141 8.631 -0.490 17482 10217 1 18 . 1 1 9 9 PHE N N 9 120.374 120.374 120.950 -0.576 17482 10218 1 18 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.613 -0.221 17482 10219 1 18 . 1 1 9 9 PHE C C 9 176.898 176.898 176.917 -0.019 17482 10220 1 18 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.470 1.510 17482 10221 1 18 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.298 0.255 17482 10222 1 18 . 1 1 9 9 PHE H H 9 8.072 8.072 8.240 -0.168 17482 10223 1 18 . 1 1 10 10 GLY N N 10 107.944 107.944 108.420 -0.476 17482 10224 1 18 . 1 1 10 10 GLY C C 10 175.441 175.441 175.996 -0.555 17482 10225 1 18 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.249 -0.427 17482 10226 1 18 . 1 1 10 10 GLY H H 10 8.431 8.431 8.619 -0.188 17482 10227 1 18 . 1 1 11 11 GLU N N 11 121.098 121.098 121.556 -0.458 17482 10228 1 18 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.989 0.111 17482 10229 1 18 . 1 1 11 11 GLU C C 11 175.234 175.234 179.132 -3.898 17482 10230 1 18 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.792 -0.821 17482 10231 1 18 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.626 0.272 17482 10232 1 18 . 1 1 11 11 GLU H H 11 8.003 8.003 7.980 0.023 17482 10233 1 18 . 1 1 12 12 LYS N N 12 119.103 119.103 118.645 0.458 17482 10234 1 18 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.027 0.117 17482 10235 1 18 . 1 1 12 12 LYS C C 12 178.520 178.520 178.973 -0.453 17482 10236 1 18 . 1 1 12 12 LYS CA C 12 58.337 58.337 59.061 -0.724 17482 10237 1 18 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.223 0.171 17482 10238 1 18 . 1 1 12 12 LYS H H 12 7.930 7.930 7.625 0.305 17482 10239 1 18 . 1 1 13 13 ALA N N 13 121.534 121.534 122.580 -1.046 17482 10240 1 18 . 1 1 13 13 ALA HA H 13 4.011 4.011 4.117 -0.106 17482 10241 1 18 . 1 1 13 13 ALA C C 13 178.364 178.364 180.038 -1.674 17482 10242 1 18 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.312 -0.584 17482 10243 1 18 . 1 1 13 13 ALA CB C 13 18.460 18.460 18.068 0.392 17482 10244 1 18 . 1 1 13 13 ALA H H 13 8.216 8.216 8.641 -0.425 17482 10245 1 18 . 1 1 14 14 SER N N 14 111.263 111.263 112.420 -1.157 17482 10246 1 18 . 1 1 14 14 SER HA H 14 4.114 4.114 4.201 -0.087 17482 10247 1 18 . 1 1 14 14 SER C C 14 176.148 176.148 176.865 -0.717 17482 10248 1 18 . 1 1 14 14 SER CA C 14 61.159 61.159 61.510 -0.350 17482 10249 1 18 . 1 1 14 14 SER CB C 14 63.250 63.250 62.926 0.324 17482 10250 1 18 . 1 1 14 14 SER H H 14 8.000 8.000 8.225 -0.225 17482 10251 1 18 . 1 1 15 15 GLU N N 15 119.902 119.902 120.541 -0.639 17482 10252 1 18 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.143 0.023 17482 10253 1 18 . 1 1 15 15 GLU C C 15 177.493 177.493 178.223 -0.730 17482 10254 1 18 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.847 -0.834 17482 10255 1 18 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.526 0.415 17482 10256 1 18 . 1 1 15 15 GLU H H 15 7.724 7.724 7.496 0.228 17482 10257 1 18 . 1 1 16 16 ALA N N 16 120.687 120.687 121.745 -1.058 17482 10258 1 18 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.094 0.167 17482 10259 1 18 . 1 1 16 16 ALA C C 16 177.933 177.933 179.217 -1.284 17482 10260 1 18 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.832 -1.057 17482 10261 1 18 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.146 0.398 17482 10262 1 18 . 1 1 16 16 ALA H H 16 7.726 7.726 8.244 -0.518 17482 10263 1 18 . 1 1 17 17 LEU N N 17 116.559 116.559 115.534 1.025 17482 10264 1 18 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.394 -0.035 17482 10265 1 18 . 1 1 17 17 LEU C C 17 176.277 176.277 177.481 -1.204 17482 10266 1 18 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.344 -1.410 17482 10267 1 18 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.701 0.863 17482 10268 1 18 . 1 1 17 17 LEU H H 17 7.634 7.634 7.565 0.069 17482 10269 1 18 . 1 1 18 18 LYS N N 18 120.269 120.269 120.140 0.129 17482 10270 1 18 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.195 0.372 17482 10271 1 18 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.824 -1.335 17482 10272 1 18 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.149 0.371 17482 10273 1 18 . 1 1 18 18 LYS H H 18 7.761 7.761 7.686 0.075 17482 10274 1 18 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.397 0.046 17482 10275 1 18 . 1 1 19 19 PRO C C 19 176.984 176.984 175.927 1.057 17482 10276 1 18 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.262 0.571 17482 10277 1 18 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.417 -0.170 17482 10278 1 18 . 1 1 20 20 ASP N N 20 119.103 119.103 116.157 2.946 17482 10279 1 18 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.623 -0.021 17482 10280 1 18 . 1 1 20 20 ASP C C 20 176.639 176.639 175.379 1.260 17482 10281 1 18 . 1 1 20 20 ASP CA C 20 54.497 54.497 53.615 0.882 17482 10282 1 18 . 1 1 20 20 ASP CB C 20 41.231 41.231 42.231 -1.000 17482 10283 1 18 . 1 1 20 20 ASP H H 20 8.383 8.383 8.174 0.209 17482 10284 1 18 . 1 1 21 21 SER N N 21 115.970 115.970 117.045 -1.075 17482 10285 1 18 . 1 1 21 21 SER HA H 21 4.376 4.376 4.387 -0.011 17482 10286 1 18 . 1 1 21 21 SER C C 21 174.889 174.889 173.848 1.041 17482 10287 1 18 . 1 1 21 21 SER CA C 21 59.093 59.093 59.557 -0.464 17482 10288 1 18 . 1 1 21 21 SER CB C 21 63.860 63.860 62.875 0.985 17482 10289 1 18 . 1 1 21 21 SER H H 21 8.054 8.054 8.305 -0.251 17482 10290 1 18 . 1 1 22 22 GLN N N 22 120.766 120.766 125.408 -4.642 17482 10291 1 18 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.501 -0.223 17482 10292 1 18 . 1 1 22 22 GLN C C 22 175.984 175.984 174.942 1.042 17482 10293 1 18 . 1 1 22 22 GLN CA C 22 56.739 56.739 54.604 2.135 17482 10294 1 18 . 1 1 22 22 GLN CB C 22 29.191 29.191 31.241 -2.050 17482 10295 1 18 . 1 1 22 22 GLN H H 22 8.452 8.452 8.271 0.181 17482 10296 1 18 . 1 1 23 23 LYS N N 23 120.410 120.410 120.631 -0.221 17482 10297 1 18 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.665 -0.328 17482 10298 1 18 . 1 1 23 23 LYS C C 23 176.191 176.191 174.822 1.369 17482 10299 1 18 . 1 1 23 23 LYS CA C 23 56.208 56.208 56.191 0.017 17482 10300 1 18 . 1 1 23 23 LYS CB C 23 33.736 33.736 31.771 1.965 17482 10301 1 18 . 1 1 23 23 LYS H H 23 7.935 7.935 8.495 -0.560 17482 10302 1 18 . 1 1 24 24 SER N N 24 117.302 117.302 115.346 1.956 17482 10303 1 18 . 1 1 24 24 SER HA H 24 4.492 4.492 4.636 -0.144 17482 10304 1 18 . 1 1 24 24 SER C C 24 175.717 175.717 173.928 1.789 17482 10305 1 18 . 1 1 24 24 SER CA C 24 58.145 58.145 57.037 1.108 17482 10306 1 18 . 1 1 24 24 SER CB C 24 63.815 63.815 64.445 -0.630 17482 10307 1 18 . 1 1 24 24 SER H H 24 8.365 8.365 7.487 0.878 17482 10308 1 18 . 1 1 25 25 TYR N N 25 121.904 121.904 122.300 -0.396 17482 10309 1 18 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.098 0.284 17482 10310 1 18 . 1 1 25 25 TYR C C 25 177.752 177.752 176.909 0.843 17482 10311 1 18 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.839 -0.894 17482 10312 1 18 . 1 1 25 25 TYR CB C 25 37.821 37.821 38.311 -0.490 17482 10313 1 18 . 1 1 25 25 TYR H H 25 8.205 8.205 8.997 -0.792 17482 10314 1 18 . 1 1 26 26 ALA N N 26 121.123 121.123 120.856 0.267 17482 10315 1 18 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.932 0.125 17482 10316 1 18 . 1 1 26 26 ALA C C 26 179.037 179.037 179.951 -0.914 17482 10317 1 18 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.116 0.421 17482 10318 1 18 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.231 0.243 17482 10319 1 18 . 1 1 26 26 ALA H H 26 8.233 8.233 8.387 -0.154 17482 10320 1 18 . 1 1 27 27 GLU N N 27 117.313 117.313 118.160 -0.847 17482 10321 1 18 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.074 -0.057 17482 10322 1 18 . 1 1 27 27 GLU C C 27 179.166 179.166 179.035 0.131 17482 10323 1 18 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.276 0.202 17482 10324 1 18 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.740 0.126 17482 10325 1 18 . 1 1 27 27 GLU H H 27 7.922 7.922 7.928 -0.006 17482 10326 1 18 . 1 1 28 28 GLN N N 28 118.602 118.602 119.081 -0.479 17482 10327 1 18 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.932 0.256 17482 10328 1 18 . 1 1 28 28 GLN C C 28 179.132 179.132 178.772 0.360 17482 10329 1 18 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.694 0.151 17482 10330 1 18 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.397 0.985 17482 10331 1 18 . 1 1 28 28 GLN H H 28 8.179 8.179 7.876 0.303 17482 10332 1 18 . 1 1 29 29 GLY N N 29 107.984 107.984 106.857 1.127 17482 10333 1 18 . 1 1 29 29 GLY C C 29 174.518 174.518 175.678 -1.160 17482 10334 1 18 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.650 0.936 17482 10335 1 18 . 1 1 29 29 GLY H H 29 8.804 8.804 8.416 0.388 17482 10336 1 18 . 1 1 30 30 LYS N N 30 121.339 121.339 122.126 -0.787 17482 10337 1 18 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.869 0.092 17482 10338 1 18 . 1 1 30 30 LYS C C 30 178.925 178.925 179.157 -0.232 17482 10339 1 18 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.186 0.214 17482 10340 1 18 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.237 0.190 17482 10341 1 18 . 1 1 30 30 LYS H H 30 8.406 8.406 7.457 0.949 17482 10342 1 18 . 1 1 31 31 GLU N N 31 119.880 119.880 118.422 1.458 17482 10343 1 18 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.010 0.030 17482 10344 1 18 . 1 1 31 31 GLU C C 31 177.761 177.761 179.058 -1.297 17482 10345 1 18 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.216 0.315 17482 10346 1 18 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.484 0.047 17482 10347 1 18 . 1 1 31 31 GLU H H 31 8.090 8.090 8.138 -0.048 17482 10348 1 18 . 1 1 32 32 TYR N N 32 119.786 119.786 121.194 -1.408 17482 10349 1 18 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.159 0.112 17482 10350 1 18 . 1 1 32 32 TYR C C 32 178.054 178.054 177.821 0.233 17482 10351 1 18 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.810 -0.090 17482 10352 1 18 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.554 0.377 17482 10353 1 18 . 1 1 32 32 TYR H H 32 8.052 8.052 7.755 0.297 17482 10354 1 18 . 1 1 33 33 ILE N N 33 116.856 116.856 117.979 -1.123 17482 10355 1 18 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.693 0.099 17482 10356 1 18 . 1 1 33 33 ILE C C 33 177.519 177.519 178.086 -0.567 17482 10357 1 18 . 1 1 33 33 ILE CA C 33 64.019 64.019 64.966 -0.947 17482 10358 1 18 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.598 0.513 17482 10359 1 18 . 1 1 33 33 ILE H H 33 8.249 8.249 8.171 0.078 17482 10360 1 18 . 1 1 34 34 THR N N 34 114.203 114.203 115.666 -1.463 17482 10361 1 18 . 1 1 34 34 THR HA H 34 3.934 3.934 3.968 -0.034 17482 10362 1 18 . 1 1 34 34 THR C C 34 176.579 176.579 176.631 -0.052 17482 10363 1 18 . 1 1 34 34 THR CA C 34 66.459 66.459 67.196 -0.737 17482 10364 1 18 . 1 1 34 34 THR CB C 34 68.845 68.845 68.290 0.555 17482 10365 1 18 . 1 1 34 34 THR H H 34 8.254 8.254 8.067 0.187 17482 10366 1 18 . 1 1 35 35 ASP N N 35 121.116 121.116 120.543 0.573 17482 10367 1 18 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.430 0.066 17482 10368 1 18 . 1 1 35 35 ASP C C 35 177.933 177.933 178.161 -0.228 17482 10369 1 18 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.315 -0.253 17482 10370 1 18 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.917 0.911 17482 10371 1 18 . 1 1 35 35 ASP H H 35 7.880 7.880 7.845 0.035 17482 10372 1 18 . 1 1 36 36 LYS N N 36 116.457 116.457 119.330 -2.873 17482 10373 1 18 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.065 0.092 17482 10374 1 18 . 1 1 36 36 LYS C C 36 177.968 177.968 178.645 -0.677 17482 10375 1 18 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.855 -1.984 17482 10376 1 18 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.287 -0.374 17482 10377 1 18 . 1 1 36 36 LYS H H 36 7.677 7.677 7.278 0.399 17482 10378 1 18 . 1 1 37 37 ALA N N 37 121.588 121.588 121.138 0.450 17482 10379 1 18 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.111 -0.106 17482 10380 1 18 . 1 1 37 37 ALA C C 37 178.795 178.795 179.738 -0.943 17482 10381 1 18 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.935 0.396 17482 10382 1 18 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.159 0.315 17482 10383 1 18 . 1 1 37 37 ALA H H 37 8.296 8.296 8.024 0.272 17482 10384 1 18 . 1 1 38 38 ASP N N 38 116.490 116.490 118.755 -2.265 17482 10385 1 18 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.483 -0.074 17482 10386 1 18 . 1 1 38 38 ASP C C 38 178.347 178.347 178.365 -0.018 17482 10387 1 18 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.262 -0.533 17482 10388 1 18 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.067 -0.019 17482 10389 1 18 . 1 1 38 38 ASP H H 38 8.046 8.046 7.603 0.443 17482 10390 1 18 . 1 1 39 39 LYS N N 39 118.627 118.627 120.740 -2.113 17482 10391 1 18 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.075 0.073 17482 10392 1 18 . 1 1 39 39 LYS C C 39 178.588 178.588 179.003 -0.415 17482 10393 1 18 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.608 -1.382 17482 10394 1 18 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.599 0.058 17482 10395 1 18 . 1 1 39 39 LYS H H 39 7.757 7.757 7.679 0.078 17482 10396 1 18 . 1 1 40 40 VAL N N 40 116.146 116.146 118.798 -2.652 17482 10397 1 18 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.683 0.226 17482 10398 1 18 . 1 1 40 40 VAL C C 40 176.683 176.683 176.567 0.116 17482 10399 1 18 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.856 -1.448 17482 10400 1 18 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.880 0.454 17482 10401 1 18 . 1 1 40 40 VAL H H 40 7.792 7.792 7.984 -0.192 17482 10402 1 18 . 1 1 41 41 ALA N N 41 122.561 122.561 120.587 1.974 17482 10403 1 18 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.243 -0.120 17482 10404 1 18 . 1 1 41 41 ALA C C 41 179.106 179.106 180.118 -1.012 17482 10405 1 18 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.568 -0.039 17482 10406 1 18 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.696 -0.095 17482 10407 1 18 . 1 1 41 41 ALA H H 41 8.094 8.094 7.403 0.691 17482 10408 1 18 . 1 1 42 42 GLY N N 42 105.072 105.072 107.009 -1.937 17482 10409 1 18 . 1 1 42 42 GLY C C 42 174.941 174.941 175.913 -0.972 17482 10410 1 18 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.697 -0.669 17482 10411 1 18 . 1 1 42 42 GLY H H 42 8.044 8.044 8.342 -0.298 17482 10412 1 18 . 1 1 43 43 LYS N N 43 119.123 119.123 118.889 0.234 17482 10413 1 18 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.151 0.190 17482 10414 1 18 . 1 1 43 43 LYS C C 43 176.631 176.631 176.744 -0.113 17482 10415 1 18 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.617 0.180 17482 10416 1 18 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.364 1.032 17482 10417 1 18 . 1 1 43 43 LYS H H 43 7.834 7.834 8.040 -0.206 17482 10418 1 18 . 1 1 44 44 VAL N N 44 116.413 116.413 120.162 -3.749 17482 10419 1 18 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.086 0.060 17482 10420 1 18 . 1 1 44 44 VAL C C 44 175.018 175.018 175.533 -0.515 17482 10421 1 18 . 1 1 44 44 VAL CA C 44 62.331 62.331 61.831 0.500 17482 10422 1 18 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.385 0.256 17482 10423 1 18 . 1 1 44 44 VAL H H 44 7.650 7.650 7.361 0.289 17482 10424 1 18 . 1 1 45 45 GLN N N 45 122.078 122.078 117.228 4.850 17482 10425 1 18 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.097 0.562 17482 10426 1 18 . 1 1 45 45 GLN CA C 45 53.664 53.664 55.930 -2.266 17482 10427 1 18 . 1 1 45 45 GLN CB C 45 29.329 29.329 26.324 3.005 17482 10428 1 18 . 1 1 45 45 GLN H H 45 8.154 8.154 8.470 -0.316 17482 10429 1 18 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.519 -0.086 17482 10430 1 18 . 1 1 46 46 PRO C C 46 177.329 177.329 177.417 -0.088 17482 10431 1 18 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.314 1.440 17482 10432 1 18 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.370 -0.139 17482 10433 1 18 . 1 1 47 47 GLU N N 47 119.456 119.456 118.323 1.133 17482 10434 1 18 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.010 0.201 17482 10435 1 18 . 1 1 47 47 GLU C C 47 176.484 176.484 176.553 -0.069 17482 10436 1 18 . 1 1 47 47 GLU CA C 47 57.468 57.468 58.430 -0.962 17482 10437 1 18 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.447 0.882 17482 10438 1 18 . 1 1 47 47 GLU H H 47 8.491 8.491 8.396 0.095 17482 10439 1 18 . 1 1 48 48 ASP N N 48 119.108 119.108 119.676 -0.568 17482 10440 1 18 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.675 -0.090 17482 10441 1 18 . 1 1 48 48 ASP C C 48 175.863 175.863 175.441 0.422 17482 10442 1 18 . 1 1 48 48 ASP CA C 48 54.579 54.579 54.032 0.547 17482 10443 1 18 . 1 1 48 48 ASP CB C 48 41.131 41.131 39.111 2.020 17482 10444 1 18 . 1 1 48 48 ASP H H 48 8.137 8.137 8.410 -0.273 17482 10445 1 18 . 1 1 49 49 ASN N N 49 117.714 117.714 119.002 -1.288 17482 10446 1 18 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.784 -0.119 17482 10447 1 18 . 1 1 49 49 ASN C C 49 174.975 174.975 173.607 1.368 17482 10448 1 18 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.043 0.685 17482 10449 1 18 . 1 1 49 49 ASN CB C 49 39.131 39.131 41.462 -2.331 17482 10450 1 18 . 1 1 49 49 ASN H H 49 8.173 8.173 8.033 0.140 17482 10451 1 18 . 1 1 50 50 LYS N N 50 120.215 120.215 121.369 -1.154 17482 10452 1 18 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.538 -0.230 17482 10453 1 18 . 1 1 50 50 LYS C C 50 176.950 176.950 176.381 0.569 17482 10454 1 18 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.491 0.337 17482 10455 1 18 . 1 1 50 50 LYS CB C 50 33.031 33.031 31.644 1.387 17482 10456 1 18 . 1 1 50 50 LYS H H 50 8.098 8.098 8.439 -0.341 17482 10457 1 18 . 1 1 51 51 GLY N N 51 109.286 109.286 112.302 -3.016 17482 10458 1 18 . 1 1 51 51 GLY C C 51 175.251 175.251 174.755 0.496 17482 10459 1 18 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.357 0.556 17482 10460 1 18 . 1 1 51 51 GLY H H 51 8.295 8.295 8.786 -0.491 17482 10461 1 18 . 1 1 52 52 VAL N N 52 119.528 119.528 120.868 -1.340 17482 10462 1 18 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.691 0.173 17482 10463 1 18 . 1 1 52 52 VAL C C 52 176.372 176.372 177.287 -0.915 17482 10464 1 18 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.852 -0.506 17482 10465 1 18 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.911 0.319 17482 10466 1 18 . 1 1 52 52 VAL H H 52 7.940 7.940 8.257 -0.317 17482 10467 1 18 . 1 1 53 53 PHE N N 53 118.265 118.265 119.103 -0.838 17482 10468 1 18 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.264 0.329 17482 10469 1 18 . 1 1 53 53 PHE C C 53 176.441 176.441 177.872 -1.431 17482 10470 1 18 . 1 1 53 53 PHE CA C 53 58.676 58.676 61.221 -2.545 17482 10471 1 18 . 1 1 53 53 PHE CB C 53 38.635 38.635 39.002 -0.367 17482 10472 1 18 . 1 1 53 53 PHE H H 53 8.046 8.046 8.008 0.038 17482 10473 1 18 . 1 1 54 54 GLN N N 54 119.441 119.441 119.447 -0.006 17482 10474 1 18 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.062 0.109 17482 10475 1 18 . 1 1 54 54 GLN C C 54 177.166 177.166 178.765 -1.599 17482 10476 1 18 . 1 1 54 54 GLN CA C 54 57.549 57.549 58.953 -1.404 17482 10477 1 18 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.405 1.094 17482 10478 1 18 . 1 1 54 54 GLN H H 54 7.978 7.978 8.483 -0.505 17482 10479 1 18 . 1 1 55 55 GLY N N 55 107.822 107.822 107.360 0.462 17482 10480 1 18 . 1 1 55 55 GLY C C 55 175.294 175.294 175.489 -0.195 17482 10481 1 18 . 1 1 55 55 GLY CA C 55 46.188 46.188 47.095 -0.907 17482 10482 1 18 . 1 1 55 55 GLY H H 55 8.120 8.120 8.256 -0.136 17482 10483 1 18 . 1 1 56 56 VAL N N 56 119.174 119.174 120.259 -1.085 17482 10484 1 18 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.693 0.279 17482 10485 1 18 . 1 1 56 56 VAL C C 56 176.527 176.527 176.940 -0.413 17482 10486 1 18 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.203 -1.199 17482 10487 1 18 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.659 0.534 17482 10488 1 18 . 1 1 56 56 VAL H H 56 7.774 7.774 7.420 0.354 17482 10489 1 18 . 1 1 57 57 HIS N N 57 119.221 119.221 116.424 2.797 17482 10490 1 18 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.652 -0.110 17482 10491 1 18 . 1 1 57 57 HIS CA C 57 56.973 56.973 57.843 -0.870 17482 10492 1 18 . 1 1 57 57 HIS CB C 57 29.608 29.608 31.018 -1.410 17482 10493 1 18 . 1 1 57 57 HIS H H 57 8.201 8.201 7.953 0.248 17482 10494 1 18 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.369 0.211 17482 10495 1 18 . 1 1 58 58 ASP C C 58 177.097 177.097 178.105 -1.008 17482 10496 1 18 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.173 -2.152 17482 10497 1 18 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.198 1.038 17482 10498 1 18 . 1 1 59 59 SER N N 59 116.347 116.347 115.829 0.518 17482 10499 1 18 . 1 1 59 59 SER HA H 59 4.372 4.372 4.178 0.194 17482 10500 1 18 . 1 1 59 59 SER C C 59 175.087 175.087 175.879 -0.792 17482 10501 1 18 . 1 1 59 59 SER CA C 59 59.207 59.207 60.541 -1.334 17482 10502 1 18 . 1 1 59 59 SER CB C 59 63.780 63.780 63.115 0.664 17482 10503 1 18 . 1 1 59 59 SER H H 59 8.134 8.134 7.866 0.268 17482 10504 1 18 . 1 1 60 60 ALA N N 60 125.097 125.097 123.663 1.434 17482 10505 1 18 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.096 0.157 17482 10506 1 18 . 1 1 60 60 ALA C C 60 178.192 178.192 178.394 -0.202 17482 10507 1 18 . 1 1 60 60 ALA CA C 60 53.561 53.561 53.620 -0.059 17482 10508 1 18 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.488 0.590 17482 10509 1 18 . 1 1 60 60 ALA H H 60 8.203 8.203 7.322 0.881 17482 10510 1 18 . 1 1 61 61 GLU N N 61 118.432 118.432 119.060 -0.628 17482 10511 1 18 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.064 0.136 17482 10512 1 18 . 1 1 61 61 GLU C C 61 177.036 177.036 176.891 0.145 17482 10513 1 18 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.876 -0.652 17482 10514 1 18 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.976 0.252 17482 10515 1 18 . 1 1 61 61 GLU H H 61 8.095 8.095 7.813 0.282 17482 10516 1 18 . 1 1 62 62 LYS N N 62 120.770 120.770 118.187 2.583 17482 10517 1 18 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.006 0.291 17482 10518 1 18 . 1 1 62 62 LYS C C 62 177.450 177.450 175.241 2.209 17482 10519 1 18 . 1 1 62 62 LYS CA C 62 56.826 56.826 56.372 0.454 17482 10520 1 18 . 1 1 62 62 LYS CB C 62 32.943 32.943 32.163 0.780 17482 10521 1 18 . 1 1 62 62 LYS H H 62 7.969 7.969 7.952 0.017 17482 10522 1 18 . 1 1 63 63 GLY N N 63 108.912 108.912 111.002 -2.090 17482 10523 1 18 . 1 1 63 63 GLY C C 63 174.432 174.432 173.946 0.486 17482 10524 1 18 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.633 1.119 17482 10525 1 18 . 1 1 63 63 GLY H H 63 8.287 8.287 8.392 -0.105 17482 10526 1 18 . 1 1 64 64 LYS N N 64 120.529 120.529 126.279 -5.750 17482 10527 1 18 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.687 -0.389 17482 10528 1 18 . 1 1 64 64 LYS C C 64 176.622 176.622 175.031 1.591 17482 10529 1 18 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.399 0.332 17482 10530 1 18 . 1 1 64 64 LYS CB C 64 33.117 33.117 33.090 0.027 17482 10531 1 18 . 1 1 64 64 LYS H H 64 8.019 8.019 8.430 -0.411 17482 10532 1 18 . 1 1 65 65 ASP N N 65 120.673 120.673 122.018 -1.345 17482 10533 1 18 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.657 -0.077 17482 10534 1 18 . 1 1 65 65 ASP C C 65 176.226 176.226 175.265 0.961 17482 10535 1 18 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.604 1.179 17482 10536 1 18 . 1 1 65 65 ASP CB C 65 41.172 41.172 41.823 -0.651 17482 10537 1 18 . 1 1 65 65 ASP H H 65 8.296 8.296 8.166 0.130 17482 10538 1 18 . 1 1 66 66 ASN N N 66 118.902 118.902 118.286 0.616 17482 10539 1 18 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.969 -0.279 17482 10540 1 18 . 1 1 66 66 ASN C C 66 175.217 175.217 174.916 0.301 17482 10541 1 18 . 1 1 66 66 ASN CA C 66 53.475 53.475 54.087 -0.612 17482 10542 1 18 . 1 1 66 66 ASN CB C 66 39.117 39.117 39.580 -0.463 17482 10543 1 18 . 1 1 66 66 ASN H H 66 8.212 8.212 9.004 -0.792 17482 10544 1 18 . 1 1 67 67 ALA N N 67 124.149 124.149 123.866 0.283 17482 10545 1 18 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.039 0.261 17482 10546 1 18 . 1 1 67 67 ALA C C 67 177.890 177.890 176.109 1.781 17482 10547 1 18 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.537 0.516 17482 10548 1 18 . 1 1 67 67 ALA CB C 67 19.427 19.427 18.468 0.959 17482 10549 1 18 . 1 1 67 67 ALA H H 67 8.212 8.212 8.133 0.079 17482 10550 1 18 . 1 1 68 68 GLU N N 68 119.216 119.216 118.285 0.931 17482 10551 1 18 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.055 0.216 17482 10552 1 18 . 1 1 68 68 GLU C C 68 177.243 177.243 175.690 1.553 17482 10553 1 18 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.497 0.300 17482 10554 1 18 . 1 1 68 68 GLU CB C 68 30.159 30.159 29.876 0.283 17482 10555 1 18 . 1 1 68 68 GLU H H 68 8.286 8.286 8.387 -0.101 17482 10556 1 18 . 1 1 69 69 GLY N N 69 109.637 109.637 109.451 0.186 17482 10557 1 18 . 1 1 69 69 GLY C C 69 174.371 174.371 173.692 0.679 17482 10558 1 18 . 1 1 69 69 GLY CA C 69 45.634 45.634 44.723 0.911 17482 10559 1 18 . 1 1 69 69 GLY H H 69 8.293 8.293 8.301 -0.008 17482 10560 1 18 . 1 1 70 70 GLN N N 70 119.629 119.629 119.475 0.154 17482 10561 1 18 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.662 -0.269 17482 10562 1 18 . 1 1 70 70 GLN C C 70 176.502 176.502 175.360 1.142 17482 10563 1 18 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.554 0.492 17482 10564 1 18 . 1 1 70 70 GLN CB C 70 29.627 29.627 29.757 -0.130 17482 10565 1 18 . 1 1 70 70 GLN H H 70 8.201 8.201 7.756 0.445 17482 10566 1 18 . 1 1 71 71 GLY N N 71 109.977 109.977 108.390 1.587 17482 10567 1 18 . 1 1 71 71 GLY C C 71 173.992 173.992 173.626 0.366 17482 10568 1 18 . 1 1 71 71 GLY CA C 71 45.634 45.634 45.217 0.417 17482 10569 1 18 . 1 1 71 71 GLY H H 71 8.424 8.424 8.512 -0.088 17482 10570 1 18 . 1 1 72 72 GLU N N 72 120.532 120.532 119.330 1.202 17482 10571 1 18 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.651 -0.240 17482 10572 1 18 . 1 1 72 72 GLU C C 72 176.639 176.639 175.080 1.559 17482 10573 1 18 . 1 1 72 72 GLU CA C 72 56.618 56.618 55.767 0.851 17482 10574 1 18 . 1 1 72 72 GLU CB C 72 30.731 30.731 31.823 -1.092 17482 10575 1 18 . 1 1 72 72 GLU H H 72 8.244 8.244 8.359 -0.115 17482 10576 1 18 . 1 1 73 73 SER N N 73 117.827 117.827 117.174 0.653 17482 10577 1 18 . 1 1 73 73 SER HA H 73 4.589 4.589 4.720 -0.131 17482 10578 1 18 . 1 1 73 73 SER C C 73 175.475 175.475 174.478 0.997 17482 10579 1 18 . 1 1 73 73 SER CA C 73 58.064 58.064 58.187 -0.123 17482 10580 1 18 . 1 1 73 73 SER CB C 73 64.761 64.761 64.060 0.701 17482 10581 1 18 . 1 1 73 73 SER H H 73 8.689 8.689 8.648 0.041 17482 10582 1 18 . 1 1 74 74 LEU N N 74 124.414 124.414 127.177 -2.763 17482 10583 1 18 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.038 0.163 17482 10584 1 18 . 1 1 74 74 LEU C C 74 178.735 178.735 177.691 1.044 17482 10585 1 18 . 1 1 74 74 LEU CA C 74 57.895 57.895 56.963 0.932 17482 10586 1 18 . 1 1 74 74 LEU CB C 74 41.934 41.934 42.014 -0.080 17482 10587 1 18 . 1 1 74 74 LEU H H 74 8.514 8.514 8.557 -0.043 17482 10588 1 18 . 1 1 75 75 ALA N N 75 120.291 120.291 120.195 0.096 17482 10589 1 18 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.972 0.018 17482 10590 1 18 . 1 1 75 75 ALA C C 75 179.046 179.046 180.027 -0.981 17482 10591 1 18 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.908 0.359 17482 10592 1 18 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.637 0.956 17482 10593 1 18 . 1 1 75 75 ALA H H 75 8.160 8.160 8.269 -0.109 17482 10594 1 18 . 1 1 76 76 ASP N N 76 117.288 117.288 117.377 -0.089 17482 10595 1 18 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.509 -0.103 17482 10596 1 18 . 1 1 76 76 ASP C C 76 178.476 178.476 178.578 -0.102 17482 10597 1 18 . 1 1 76 76 ASP CA C 76 57.133 57.133 57.300 -0.167 17482 10598 1 18 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.114 -0.461 17482 10599 1 18 . 1 1 76 76 ASP H H 76 7.773 7.773 8.135 -0.362 17482 10600 1 18 . 1 1 77 77 GLN N N 77 119.454 119.454 119.026 0.428 17482 10601 1 18 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.189 -0.027 17482 10602 1 18 . 1 1 77 77 GLN C C 77 178.037 178.037 178.190 -0.153 17482 10603 1 18 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.092 0.289 17482 10604 1 18 . 1 1 77 77 GLN CB C 77 29.480 29.480 29.056 0.424 17482 10605 1 18 . 1 1 77 77 GLN H H 77 7.994 7.994 7.744 0.250 17482 10606 1 18 . 1 1 78 78 ALA N N 78 121.577 121.577 123.124 -1.547 17482 10607 1 18 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.162 -0.013 17482 10608 1 18 . 1 1 78 78 ALA C C 78 178.977 178.977 179.597 -0.620 17482 10609 1 18 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.250 -0.119 17482 10610 1 18 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.257 0.398 17482 10611 1 18 . 1 1 78 78 ALA H H 78 8.498 8.498 8.323 0.175 17482 10612 1 18 . 1 1 79 79 ARG N N 79 117.138 117.138 118.416 -1.278 17482 10613 1 18 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.057 -0.045 17482 10614 1 18 . 1 1 79 79 ARG C C 79 175.449 175.449 178.655 -3.206 17482 10615 1 18 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.077 0.426 17482 10616 1 18 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.747 0.399 17482 10617 1 18 . 1 1 79 79 ARG H H 79 8.101 8.101 7.736 0.365 17482 10618 1 18 . 1 1 80 80 ASP N N 80 120.784 120.784 119.238 1.546 17482 10619 1 18 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.489 0.024 17482 10620 1 18 . 1 1 80 80 ASP C C 80 178.882 178.882 178.576 0.306 17482 10621 1 18 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.562 -0.687 17482 10622 1 18 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.041 -0.713 17482 10623 1 18 . 1 1 80 80 ASP H H 80 8.000 8.000 7.745 0.255 17482 10624 1 18 . 1 1 81 81 TYR N N 81 120.298 120.298 120.484 -0.186 17482 10625 1 18 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.361 0.070 17482 10626 1 18 . 1 1 81 81 TYR C C 81 177.855 177.855 177.981 -0.126 17482 10627 1 18 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.521 0.313 17482 10628 1 18 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.670 -0.192 17482 10629 1 18 . 1 1 81 81 TYR H H 81 8.127 8.127 7.392 0.735 17482 10630 1 18 . 1 1 82 82 MET N N 82 118.452 118.452 118.696 -0.244 17482 10631 1 18 . 1 1 82 82 MET HA H 82 4.239 4.239 4.294 -0.055 17482 10632 1 18 . 1 1 82 82 MET C C 82 178.175 178.175 178.677 -0.502 17482 10633 1 18 . 1 1 82 82 MET CA C 82 58.757 58.757 58.437 0.320 17482 10634 1 18 . 1 1 82 82 MET CB C 82 32.631 32.631 32.338 0.293 17482 10635 1 18 . 1 1 82 82 MET H H 82 8.382 8.382 8.732 -0.350 17482 10636 1 18 . 1 1 83 83 GLY N N 83 106.740 106.740 106.057 0.683 17482 10637 1 18 . 1 1 83 83 GLY C C 83 176.717 176.717 175.427 1.290 17482 10638 1 18 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.379 -0.048 17482 10639 1 18 . 1 1 83 83 GLY H H 83 8.308 8.308 8.298 0.010 17482 10640 1 18 . 1 1 84 84 ALA N N 84 125.357 125.357 123.425 1.932 17482 10641 1 18 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.370 -0.083 17482 10642 1 18 . 1 1 84 84 ALA C C 84 180.149 180.149 179.205 0.944 17482 10643 1 18 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.193 0.455 17482 10644 1 18 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.438 0.103 17482 10645 1 18 . 1 1 84 84 ALA H H 84 7.905 7.905 7.612 0.293 17482 10646 1 18 . 1 1 85 85 ALA N N 85 121.332 121.332 121.974 -0.642 17482 10647 1 18 . 1 1 85 85 ALA HA H 85 4.025 4.025 4.159 -0.134 17482 10648 1 18 . 1 1 85 85 ALA C C 85 178.847 178.847 179.484 -0.637 17482 10649 1 18 . 1 1 85 85 ALA CA C 85 55.283 55.283 55.115 0.168 17482 10650 1 18 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.715 -0.228 17482 10651 1 18 . 1 1 85 85 ALA H H 85 8.341 8.341 7.822 0.519 17482 10652 1 18 . 1 1 86 86 LYS N N 86 116.980 116.980 119.130 -2.150 17482 10653 1 18 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.978 -0.106 17482 10654 1 18 . 1 1 86 86 LYS C C 86 178.485 178.485 178.745 -0.260 17482 10655 1 18 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.707 0.486 17482 10656 1 18 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.642 0.689 17482 10657 1 18 . 1 1 86 86 LYS H H 86 8.360 8.360 8.743 -0.383 17482 10658 1 18 . 1 1 87 87 SER N N 87 113.632 113.632 115.185 -1.553 17482 10659 1 18 . 1 1 87 87 SER HA H 87 4.299 4.299 4.220 0.079 17482 10660 1 18 . 1 1 87 87 SER C C 87 176.467 176.467 176.678 -0.211 17482 10661 1 18 . 1 1 87 87 SER CA C 87 61.614 61.614 61.102 0.512 17482 10662 1 18 . 1 1 87 87 SER CB C 87 63.064 63.064 62.976 0.088 17482 10663 1 18 . 1 1 87 87 SER H H 87 7.863 7.863 7.698 0.165 17482 10664 1 18 . 1 1 88 88 LYS N N 88 120.925 120.925 121.670 -0.745 17482 10665 1 18 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.059 0.286 17482 10666 1 18 . 1 1 88 88 LYS C C 88 178.502 178.502 179.000 -0.498 17482 10667 1 18 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.547 -0.851 17482 10668 1 18 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.191 -0.180 17482 10669 1 18 . 1 1 88 88 LYS H H 88 7.843 7.843 7.536 0.307 17482 10670 1 18 . 1 1 89 89 LEU N N 89 119.955 119.955 120.899 -0.944 17482 10671 1 18 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.932 0.173 17482 10672 1 18 . 1 1 89 89 LEU C C 89 178.209 178.209 178.499 -0.290 17482 10673 1 18 . 1 1 89 89 LEU CA C 89 58.197 58.197 58.097 0.099 17482 10674 1 18 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.623 0.008 17482 10675 1 18 . 1 1 89 89 LEU H H 89 8.174 8.174 8.541 -0.367 17482 10676 1 18 . 1 1 90 90 ASN N N 90 117.013 117.013 116.306 0.707 17482 10677 1 18 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.411 -0.018 17482 10678 1 18 . 1 1 90 90 ASN C C 90 174.164 174.164 177.605 -3.441 17482 10679 1 18 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.744 0.422 17482 10680 1 18 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.218 0.734 17482 10681 1 18 . 1 1 90 90 ASN H H 90 8.223 8.223 8.145 0.078 17482 10682 1 18 . 1 1 91 91 ASP N N 91 119.959 119.959 119.441 0.518 17482 10683 1 18 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.492 -0.035 17482 10684 1 18 . 1 1 91 91 ASP C C 91 178.804 178.804 177.615 1.189 17482 10685 1 18 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.111 0.327 17482 10686 1 18 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.906 -0.726 17482 10687 1 18 . 1 1 91 91 ASP H H 91 8.043 8.043 7.555 0.488 17482 10688 1 18 . 1 1 92 92 ALA N N 92 123.900 123.900 122.916 0.984 17482 10689 1 18 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.274 -0.071 17482 10690 1 18 . 1 1 92 92 ALA C C 92 178.951 178.951 179.630 -0.679 17482 10691 1 18 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.923 0.614 17482 10692 1 18 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.818 -0.314 17482 10693 1 18 . 1 1 92 92 ALA H H 92 8.256 8.256 7.642 0.614 17482 10694 1 18 . 1 1 93 93 VAL N N 93 118.228 118.228 119.659 -1.431 17482 10695 1 18 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.459 0.135 17482 10696 1 18 . 1 1 93 93 VAL C C 93 178.761 178.761 177.999 0.762 17482 10697 1 18 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.413 -0.256 17482 10698 1 18 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.290 0.506 17482 10699 1 18 . 1 1 93 93 VAL H H 93 8.449 8.449 8.678 -0.229 17482 10700 1 18 . 1 1 94 94 GLU N N 94 120.485 120.485 119.352 1.133 17482 10701 1 18 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.972 0.073 17482 10702 1 18 . 1 1 94 94 GLU C C 94 179.347 179.347 179.294 0.053 17482 10703 1 18 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.065 -0.434 17482 10704 1 18 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.516 0.015 17482 10705 1 18 . 1 1 94 94 GLU H H 94 8.175 8.175 7.865 0.310 17482 10706 1 18 . 1 1 95 95 TYR N N 95 120.806 120.806 119.593 1.213 17482 10707 1 18 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.288 -0.060 17482 10708 1 18 . 1 1 95 95 TYR C C 95 178.407 178.407 177.573 0.834 17482 10709 1 18 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.197 0.364 17482 10710 1 18 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.558 0.073 17482 10711 1 18 . 1 1 95 95 TYR H H 95 8.197 8.197 7.400 0.797 17482 10712 1 18 . 1 1 96 96 VAL N N 96 118.584 118.584 119.863 -1.279 17482 10713 1 18 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.603 -0.120 17482 10714 1 18 . 1 1 96 96 VAL C C 96 177.752 177.752 177.958 -0.206 17482 10715 1 18 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.181 -0.502 17482 10716 1 18 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.484 0.538 17482 10717 1 18 . 1 1 96 96 VAL H H 96 8.525 8.525 8.526 -0.001 17482 10718 1 18 . 1 1 97 97 SER N N 97 114.566 114.566 114.763 -0.197 17482 10719 1 18 . 1 1 97 97 SER HA H 97 4.080 4.080 4.209 -0.129 17482 10720 1 18 . 1 1 97 97 SER C C 97 176.803 176.803 177.043 -0.240 17482 10721 1 18 . 1 1 97 97 SER CA C 97 61.800 61.800 62.509 -0.709 17482 10722 1 18 . 1 1 97 97 SER CB C 97 63.258 63.258 62.784 0.474 17482 10723 1 18 . 1 1 97 97 SER H H 97 8.642 8.642 8.847 -0.205 17482 10724 1 18 . 1 1 98 98 GLY N N 98 107.586 107.586 107.053 0.533 17482 10725 1 18 . 1 1 98 98 GLY C C 98 175.553 175.553 174.919 0.634 17482 10726 1 18 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.845 0.711 17482 10727 1 18 . 1 1 98 98 GLY H H 98 7.926 7.926 7.590 0.336 17482 10728 1 18 . 1 1 99 99 ARG N N 99 119.948 119.948 119.383 0.565 17482 10729 1 18 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.233 -0.030 17482 10730 1 18 . 1 1 99 99 ARG C C 99 177.830 177.830 177.889 -0.059 17482 10731 1 18 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.644 -0.515 17482 10732 1 18 . 1 1 99 99 ARG CB C 99 30.212 30.212 31.032 -0.820 17482 10733 1 18 . 1 1 99 99 ARG H H 99 7.611 7.611 7.432 0.179 17482 10734 1 18 . 1 1 100 100 VAL N N 100 116.709 116.709 117.703 -0.994 17482 10735 1 18 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.742 0.198 17482 10736 1 18 . 1 1 100 100 VAL C C 100 176.381 176.381 176.930 -0.549 17482 10737 1 18 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.372 -1.441 17482 10738 1 18 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.840 0.491 17482 10739 1 18 . 1 1 100 100 VAL H H 100 7.906 7.906 8.125 -0.219 17482 10740 1 18 . 1 1 101 101 HIS N N 101 117.584 117.584 118.966 -1.382 17482 10741 1 18 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.471 0.304 17482 10742 1 18 . 1 1 101 101 HIS C C 101 175.484 175.484 175.205 0.279 17482 10743 1 18 . 1 1 101 101 HIS CA C 101 55.862 55.862 57.807 -1.945 17482 10744 1 18 . 1 1 101 101 HIS CB C 101 29.517 29.517 30.859 -1.342 17482 10745 1 18 . 1 1 101 101 HIS H H 101 8.061 8.061 7.573 0.488 17482 10746 1 18 . 1 1 102 102 GLY N N 102 109.164 109.164 106.876 2.288 17482 10747 1 18 . 1 1 102 102 GLY C C 102 174.121 174.121 173.261 0.860 17482 10748 1 18 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.237 0.482 17482 10749 1 18 . 1 1 102 102 GLY H H 102 7.990 7.990 8.479 -0.489 17482 10750 1 18 . 1 1 103 103 GLU N N 103 120.493 120.493 123.470 -2.977 17482 10751 1 18 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.326 -0.011 17482 10752 1 18 . 1 1 103 103 GLU C C 103 176.467 176.467 176.964 -0.497 17482 10753 1 18 . 1 1 103 103 GLU CA C 103 56.451 56.451 56.529 -0.078 17482 10754 1 18 . 1 1 103 103 GLU CB C 103 30.731 30.731 30.073 0.658 17482 10755 1 18 . 1 1 103 103 GLU H H 103 8.320 8.320 8.648 -0.328 17482 10756 1 18 . 1 1 104 104 GLU N N 104 122.018 122.018 120.040 1.978 17482 10757 1 18 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.093 0.170 17482 10758 1 18 . 1 1 104 104 GLU C C 104 175.820 175.820 174.797 1.023 17482 10759 1 18 . 1 1 104 104 GLU CA C 104 56.480 56.480 57.069 -0.589 17482 10760 1 18 . 1 1 104 104 GLU CB C 104 30.654 30.654 29.862 0.792 17482 10761 1 18 . 1 1 104 104 GLU H H 104 8.358 8.358 8.100 0.258 17482 10762 1 18 . 1 1 105 105 ASP N N 105 122.625 122.625 120.229 2.396 17482 10763 1 18 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.936 -0.038 17482 10764 1 18 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.111 -1.383 17482 10765 1 18 . 1 1 105 105 ASP CB C 105 41.614 41.614 42.157 -0.543 17482 10766 1 18 . 1 1 105 105 ASP H H 105 8.350 8.350 8.072 0.278 17482 10767 1 18 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.662 -0.196 17482 10768 1 18 . 1 1 106 106 PRO C C 106 177.605 177.605 176.120 1.485 17482 10769 1 18 . 1 1 106 106 PRO CA C 106 63.921 63.921 62.670 1.251 17482 10770 1 18 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.678 -0.382 17482 10771 1 18 . 1 1 107 107 THR N N 107 111.954 111.954 115.758 -3.804 17482 10772 1 18 . 1 1 107 107 THR HA H 107 4.281 4.281 4.483 -0.202 17482 10773 1 18 . 1 1 107 107 THR C C 107 174.889 174.889 173.936 0.953 17482 10774 1 18 . 1 1 107 107 THR CA C 107 62.896 62.896 61.752 1.144 17482 10775 1 18 . 1 1 107 107 THR CB C 107 69.593 69.593 69.856 -0.263 17482 10776 1 18 . 1 1 107 107 THR H H 107 8.355 8.355 8.199 0.156 17482 10777 1 18 . 1 1 108 108 LYS N N 108 123.177 123.177 122.186 0.991 17482 10778 1 18 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.500 -0.145 17482 10779 1 18 . 1 1 108 108 LYS C C 108 175.406 175.406 175.893 -0.487 17482 10780 1 18 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.970 0.282 17482 10781 1 18 . 1 1 108 108 LYS CB C 108 32.964 32.964 34.437 -1.473 17482 10782 1 18 . 1 1 108 108 LYS H H 108 7.739 7.739 8.357 -0.618 17482 10783 1 19 . 1 1 2 2 SER HA H 2 4.546 4.546 4.091 0.455 17482 10784 1 19 . 1 1 2 2 SER CA C 2 58.499 58.499 58.621 -0.122 17482 10785 1 19 . 1 1 2 2 SER CB C 2 64.011 64.011 63.360 0.651 17482 10786 1 19 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.474 0.128 17482 10787 1 19 . 1 1 3 3 ASP C C 3 176.010 176.010 174.482 1.528 17482 10788 1 19 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.479 0.257 17482 10789 1 19 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.027 0.242 17482 10790 1 19 . 1 1 4 4 ALA N N 4 123.253 123.253 126.782 -3.529 17482 10791 1 19 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.409 -0.083 17482 10792 1 19 . 1 1 4 4 ALA C C 4 178.097 178.097 176.691 1.406 17482 10793 1 19 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.039 0.807 17482 10794 1 19 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.297 -0.974 17482 10795 1 19 . 1 1 4 4 ALA H H 4 8.095 8.095 8.235 -0.140 17482 10796 1 19 . 1 1 5 5 GLY N N 5 107.651 107.651 107.640 0.011 17482 10797 1 19 . 1 1 5 5 GLY C C 5 174.828 174.828 173.749 1.079 17482 10798 1 19 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.813 0.635 17482 10799 1 19 . 1 1 5 5 GLY H H 5 8.167 8.167 8.459 -0.292 17482 10800 1 19 . 1 1 6 6 ARG N N 6 120.230 120.230 121.048 -0.818 17482 10801 1 19 . 1 1 6 6 ARG HA H 6 4.349 4.349 3.922 0.427 17482 10802 1 19 . 1 1 6 6 ARG C C 6 176.562 176.562 175.613 0.949 17482 10803 1 19 . 1 1 6 6 ARG CA C 6 56.399 56.399 57.142 -0.743 17482 10804 1 19 . 1 1 6 6 ARG CB C 6 30.831 30.831 30.386 0.445 17482 10805 1 19 . 1 1 6 6 ARG H H 6 8.060 8.060 8.491 -0.431 17482 10806 1 19 . 1 1 7 7 LYS N N 7 121.076 121.076 114.875 6.201 17482 10807 1 19 . 1 1 7 7 LYS HA H 7 4.257 4.257 3.998 0.259 17482 10808 1 19 . 1 1 7 7 LYS C C 7 177.010 177.010 177.612 -0.602 17482 10809 1 19 . 1 1 7 7 LYS CA C 7 56.920 56.920 57.325 -0.405 17482 10810 1 19 . 1 1 7 7 LYS CB C 7 32.831 32.831 31.530 1.301 17482 10811 1 19 . 1 1 7 7 LYS H H 7 8.181 8.181 8.405 -0.224 17482 10812 1 19 . 1 1 8 8 GLY N N 8 108.196 108.196 106.492 1.704 17482 10813 1 19 . 1 1 8 8 GLY C C 8 174.828 174.828 176.238 -1.410 17482 10814 1 19 . 1 1 8 8 GLY CA C 8 45.829 45.829 47.181 -1.352 17482 10815 1 19 . 1 1 8 8 GLY H H 8 8.141 8.141 8.734 -0.593 17482 10816 1 19 . 1 1 9 9 PHE N N 9 120.374 120.374 121.607 -1.233 17482 10817 1 19 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.471 -0.079 17482 10818 1 19 . 1 1 9 9 PHE C C 9 176.898 176.898 177.088 -0.190 17482 10819 1 19 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.747 1.233 17482 10820 1 19 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.044 0.509 17482 10821 1 19 . 1 1 9 9 PHE H H 9 8.072 8.072 8.298 -0.226 17482 10822 1 19 . 1 1 10 10 GLY N N 10 107.944 107.944 108.533 -0.589 17482 10823 1 19 . 1 1 10 10 GLY C C 10 175.441 175.441 175.734 -0.293 17482 10824 1 19 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.340 -0.518 17482 10825 1 19 . 1 1 10 10 GLY H H 10 8.431 8.431 8.140 0.291 17482 10826 1 19 . 1 1 11 11 GLU N N 11 121.098 121.098 121.839 -0.741 17482 10827 1 19 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.958 0.142 17482 10828 1 19 . 1 1 11 11 GLU C C 11 175.234 175.234 179.185 -3.951 17482 10829 1 19 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.762 -0.791 17482 10830 1 19 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.614 0.284 17482 10831 1 19 . 1 1 11 11 GLU H H 11 8.003 8.003 7.659 0.344 17482 10832 1 19 . 1 1 12 12 LYS N N 12 119.103 119.103 118.090 1.013 17482 10833 1 19 . 1 1 12 12 LYS HA H 12 4.144 4.144 3.958 0.186 17482 10834 1 19 . 1 1 12 12 LYS C C 12 178.520 178.520 178.966 -0.446 17482 10835 1 19 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.256 0.081 17482 10836 1 19 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.490 0.904 17482 10837 1 19 . 1 1 12 12 LYS H H 12 7.930 7.930 7.452 0.478 17482 10838 1 19 . 1 1 13 13 ALA N N 13 121.534 121.534 123.427 -1.893 17482 10839 1 19 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.892 0.119 17482 10840 1 19 . 1 1 13 13 ALA C C 13 178.364 178.364 179.484 -1.120 17482 10841 1 19 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.470 -0.742 17482 10842 1 19 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.928 0.532 17482 10843 1 19 . 1 1 13 13 ALA H H 13 8.216 8.216 8.516 -0.300 17482 10844 1 19 . 1 1 14 14 SER N N 14 111.263 111.263 112.551 -1.288 17482 10845 1 19 . 1 1 14 14 SER HA H 14 4.114 4.114 4.169 -0.055 17482 10846 1 19 . 1 1 14 14 SER C C 14 176.148 176.148 176.941 -0.793 17482 10847 1 19 . 1 1 14 14 SER CA C 14 61.159 61.159 61.824 -0.665 17482 10848 1 19 . 1 1 14 14 SER CB C 14 63.250 63.250 63.006 0.244 17482 10849 1 19 . 1 1 14 14 SER H H 14 8.000 8.000 8.072 -0.072 17482 10850 1 19 . 1 1 15 15 GLU N N 15 119.902 119.902 120.580 -0.678 17482 10851 1 19 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.143 0.023 17482 10852 1 19 . 1 1 15 15 GLU C C 15 177.493 177.493 177.812 -0.319 17482 10853 1 19 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.723 -0.710 17482 10854 1 19 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.636 0.305 17482 10855 1 19 . 1 1 15 15 GLU H H 15 7.724 7.724 7.401 0.323 17482 10856 1 19 . 1 1 16 16 ALA N N 16 120.687 120.687 122.115 -1.428 17482 10857 1 19 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.046 0.215 17482 10858 1 19 . 1 1 16 16 ALA C C 16 177.933 177.933 179.354 -1.421 17482 10859 1 19 . 1 1 16 16 ALA CA C 16 53.775 53.775 55.029 -1.254 17482 10860 1 19 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.078 0.467 17482 10861 1 19 . 1 1 16 16 ALA H H 16 7.726 7.726 8.168 -0.442 17482 10862 1 19 . 1 1 17 17 LEU N N 17 116.559 116.559 116.546 0.013 17482 10863 1 19 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.127 0.232 17482 10864 1 19 . 1 1 17 17 LEU C C 17 176.277 176.277 177.557 -1.280 17482 10865 1 19 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.929 -1.995 17482 10866 1 19 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.826 0.738 17482 10867 1 19 . 1 1 17 17 LEU H H 17 7.634 7.634 7.591 0.043 17482 10868 1 19 . 1 1 18 18 LYS N N 18 120.269 120.269 120.896 -0.627 17482 10869 1 19 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.475 0.092 17482 10870 1 19 . 1 1 18 18 LYS CA C 18 54.489 54.489 54.204 0.285 17482 10871 1 19 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.952 -0.432 17482 10872 1 19 . 1 1 18 18 LYS H H 18 7.761 7.761 7.507 0.254 17482 10873 1 19 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.516 -0.073 17482 10874 1 19 . 1 1 19 19 PRO C C 19 176.984 176.984 176.175 0.809 17482 10875 1 19 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.819 1.014 17482 10876 1 19 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.416 -0.169 17482 10877 1 19 . 1 1 20 20 ASP N N 20 119.103 119.103 117.589 1.514 17482 10878 1 19 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.731 -0.129 17482 10879 1 19 . 1 1 20 20 ASP C C 20 176.639 176.639 175.470 1.169 17482 10880 1 19 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.316 0.182 17482 10881 1 19 . 1 1 20 20 ASP CB C 20 41.231 41.231 42.193 -0.962 17482 10882 1 19 . 1 1 20 20 ASP H H 20 8.383 8.383 8.589 -0.206 17482 10883 1 19 . 1 1 21 21 SER N N 21 115.970 115.970 114.592 1.378 17482 10884 1 19 . 1 1 21 21 SER HA H 21 4.376 4.376 4.787 -0.411 17482 10885 1 19 . 1 1 21 21 SER C C 21 174.889 174.889 173.519 1.370 17482 10886 1 19 . 1 1 21 21 SER CA C 21 59.093 59.093 57.829 1.264 17482 10887 1 19 . 1 1 21 21 SER CB C 21 63.860 63.860 64.365 -0.505 17482 10888 1 19 . 1 1 21 21 SER H H 21 8.054 8.054 8.021 0.033 17482 10889 1 19 . 1 1 22 22 GLN N N 22 120.766 120.766 119.526 1.240 17482 10890 1 19 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.282 -0.004 17482 10891 1 19 . 1 1 22 22 GLN C C 22 175.984 175.984 175.541 0.443 17482 10892 1 19 . 1 1 22 22 GLN CA C 22 56.739 56.739 56.911 -0.172 17482 10893 1 19 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.373 -0.182 17482 10894 1 19 . 1 1 22 22 GLN H H 22 8.452 8.452 8.423 0.029 17482 10895 1 19 . 1 1 23 23 LYS N N 23 120.410 120.410 119.796 0.614 17482 10896 1 19 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.593 -0.256 17482 10897 1 19 . 1 1 23 23 LYS C C 23 176.191 176.191 176.213 -0.022 17482 10898 1 19 . 1 1 23 23 LYS CA C 23 56.208 56.208 55.937 0.271 17482 10899 1 19 . 1 1 23 23 LYS CB C 23 33.736 33.736 33.299 0.437 17482 10900 1 19 . 1 1 23 23 LYS H H 23 7.935 7.935 7.888 0.047 17482 10901 1 19 . 1 1 24 24 SER N N 24 117.302 117.302 120.676 -3.374 17482 10902 1 19 . 1 1 24 24 SER HA H 24 4.492 4.492 4.423 0.069 17482 10903 1 19 . 1 1 24 24 SER C C 24 175.717 175.717 175.737 -0.020 17482 10904 1 19 . 1 1 24 24 SER CA C 24 58.145 58.145 58.886 -0.741 17482 10905 1 19 . 1 1 24 24 SER CB C 24 63.815 63.815 63.373 0.442 17482 10906 1 19 . 1 1 24 24 SER H H 24 8.365 8.365 9.101 -0.736 17482 10907 1 19 . 1 1 25 25 TYR N N 25 121.904 121.904 121.572 0.332 17482 10908 1 19 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.429 -0.047 17482 10909 1 19 . 1 1 25 25 TYR C C 25 177.752 177.752 177.427 0.325 17482 10910 1 19 . 1 1 25 25 TYR CA C 25 60.945 60.945 60.882 0.063 17482 10911 1 19 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.906 -0.085 17482 10912 1 19 . 1 1 25 25 TYR H H 25 8.205 8.205 8.406 -0.201 17482 10913 1 19 . 1 1 26 26 ALA N N 26 121.123 121.123 121.095 0.028 17482 10914 1 19 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.927 0.130 17482 10915 1 19 . 1 1 26 26 ALA C C 26 179.037 179.037 179.996 -0.959 17482 10916 1 19 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.410 0.127 17482 10917 1 19 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.086 0.388 17482 10918 1 19 . 1 1 26 26 ALA H H 26 8.233 8.233 7.808 0.425 17482 10919 1 19 . 1 1 27 27 GLU N N 27 117.313 117.313 118.170 -0.857 17482 10920 1 19 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.084 -0.067 17482 10921 1 19 . 1 1 27 27 GLU C C 27 179.166 179.166 179.038 0.128 17482 10922 1 19 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.355 0.123 17482 10923 1 19 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.677 0.189 17482 10924 1 19 . 1 1 27 27 GLU H H 27 7.922 7.922 7.919 0.003 17482 10925 1 19 . 1 1 28 28 GLN N N 28 118.602 118.602 119.215 -0.613 17482 10926 1 19 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.896 0.292 17482 10927 1 19 . 1 1 28 28 GLN C C 28 179.132 179.132 178.857 0.275 17482 10928 1 19 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.820 0.025 17482 10929 1 19 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.479 0.903 17482 10930 1 19 . 1 1 28 28 GLN H H 28 8.179 8.179 7.654 0.525 17482 10931 1 19 . 1 1 29 29 GLY N N 29 107.984 107.984 106.985 0.999 17482 10932 1 19 . 1 1 29 29 GLY C C 29 174.518 174.518 175.697 -1.179 17482 10933 1 19 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.754 0.832 17482 10934 1 19 . 1 1 29 29 GLY H H 29 8.804 8.804 8.606 0.198 17482 10935 1 19 . 1 1 30 30 LYS N N 30 121.339 121.339 122.182 -0.843 17482 10936 1 19 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.896 0.065 17482 10937 1 19 . 1 1 30 30 LYS C C 30 178.925 178.925 179.246 -0.321 17482 10938 1 19 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.193 0.207 17482 10939 1 19 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.252 0.175 17482 10940 1 19 . 1 1 30 30 LYS H H 30 8.406 8.406 7.468 0.938 17482 10941 1 19 . 1 1 31 31 GLU N N 31 119.880 119.880 118.431 1.449 17482 10942 1 19 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.132 -0.092 17482 10943 1 19 . 1 1 31 31 GLU C C 31 177.761 177.761 179.132 -1.371 17482 10944 1 19 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.054 0.477 17482 10945 1 19 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.334 0.197 17482 10946 1 19 . 1 1 31 31 GLU H H 31 8.090 8.090 8.201 -0.111 17482 10947 1 19 . 1 1 32 32 TYR N N 32 119.786 119.786 121.508 -1.722 17482 10948 1 19 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.142 0.129 17482 10949 1 19 . 1 1 32 32 TYR C C 32 178.054 178.054 177.857 0.197 17482 10950 1 19 . 1 1 32 32 TYR CA C 32 61.720 61.720 62.066 -0.346 17482 10951 1 19 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.397 0.534 17482 10952 1 19 . 1 1 32 32 TYR H H 32 8.052 8.052 7.746 0.306 17482 10953 1 19 . 1 1 33 33 ILE N N 33 116.856 116.856 118.350 -1.494 17482 10954 1 19 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.648 0.144 17482 10955 1 19 . 1 1 33 33 ILE C C 33 177.519 177.519 177.926 -0.407 17482 10956 1 19 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.751 -1.732 17482 10957 1 19 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.673 0.438 17482 10958 1 19 . 1 1 33 33 ILE H H 33 8.249 8.249 8.059 0.190 17482 10959 1 19 . 1 1 34 34 THR N N 34 114.203 114.203 113.528 0.675 17482 10960 1 19 . 1 1 34 34 THR HA H 34 3.934 3.934 3.872 0.062 17482 10961 1 19 . 1 1 34 34 THR C C 34 176.579 176.579 176.369 0.210 17482 10962 1 19 . 1 1 34 34 THR CA C 34 66.459 66.459 66.818 -0.359 17482 10963 1 19 . 1 1 34 34 THR CB C 34 68.845 68.845 68.043 0.802 17482 10964 1 19 . 1 1 34 34 THR H H 34 8.254 8.254 7.788 0.466 17482 10965 1 19 . 1 1 35 35 ASP N N 35 121.116 121.116 120.407 0.709 17482 10966 1 19 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.334 0.162 17482 10967 1 19 . 1 1 35 35 ASP C C 35 177.933 177.933 178.401 -0.468 17482 10968 1 19 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.411 -0.349 17482 10969 1 19 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.867 0.961 17482 10970 1 19 . 1 1 35 35 ASP H H 35 7.880 7.880 8.186 -0.306 17482 10971 1 19 . 1 1 36 36 LYS N N 36 116.457 116.457 118.834 -2.377 17482 10972 1 19 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.073 0.084 17482 10973 1 19 . 1 1 36 36 LYS C C 36 177.968 177.968 178.716 -0.748 17482 10974 1 19 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.667 -1.796 17482 10975 1 19 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.347 -0.434 17482 10976 1 19 . 1 1 36 36 LYS H H 36 7.677 7.677 7.638 0.039 17482 10977 1 19 . 1 1 37 37 ALA N N 37 121.588 121.588 121.665 -0.077 17482 10978 1 19 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.159 -0.154 17482 10979 1 19 . 1 1 37 37 ALA C C 37 178.795 178.795 180.062 -1.267 17482 10980 1 19 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.793 0.538 17482 10981 1 19 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.310 0.164 17482 10982 1 19 . 1 1 37 37 ALA H H 37 8.296 8.296 8.255 0.041 17482 10983 1 19 . 1 1 38 38 ASP N N 38 116.490 116.490 118.854 -2.364 17482 10984 1 19 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.484 -0.075 17482 10985 1 19 . 1 1 38 38 ASP C C 38 178.347 178.347 178.404 -0.057 17482 10986 1 19 . 1 1 38 38 ASP CA C 38 56.729 56.729 56.896 -0.167 17482 10987 1 19 . 1 1 38 38 ASP CB C 38 41.048 41.048 40.956 0.092 17482 10988 1 19 . 1 1 38 38 ASP H H 38 8.046 8.046 8.291 -0.245 17482 10989 1 19 . 1 1 39 39 LYS N N 39 118.627 118.627 120.593 -1.966 17482 10990 1 19 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.062 0.086 17482 10991 1 19 . 1 1 39 39 LYS C C 39 178.588 178.588 178.938 -0.350 17482 10992 1 19 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.643 -1.417 17482 10993 1 19 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.644 0.013 17482 10994 1 19 . 1 1 39 39 LYS H H 39 7.757 7.757 7.836 -0.079 17482 10995 1 19 . 1 1 40 40 VAL N N 40 116.146 116.146 118.776 -2.630 17482 10996 1 19 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.756 0.153 17482 10997 1 19 . 1 1 40 40 VAL C C 40 176.683 176.683 177.352 -0.669 17482 10998 1 19 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.663 -1.255 17482 10999 1 19 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.662 0.672 17482 11000 1 19 . 1 1 40 40 VAL H H 40 7.792 7.792 7.954 -0.162 17482 11001 1 19 . 1 1 41 41 ALA N N 41 122.561 122.561 121.018 1.543 17482 11002 1 19 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.225 -0.102 17482 11003 1 19 . 1 1 41 41 ALA C C 41 179.106 179.106 179.715 -0.609 17482 11004 1 19 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.533 -0.004 17482 11005 1 19 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.431 0.170 17482 11006 1 19 . 1 1 41 41 ALA H H 41 8.094 8.094 7.530 0.564 17482 11007 1 19 . 1 1 42 42 GLY N N 42 105.072 105.072 107.074 -2.002 17482 11008 1 19 . 1 1 42 42 GLY C C 42 174.941 174.941 176.032 -1.091 17482 11009 1 19 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.422 -0.395 17482 11010 1 19 . 1 1 42 42 GLY H H 42 8.044 8.044 8.288 -0.244 17482 11011 1 19 . 1 1 43 43 LYS N N 43 119.123 119.123 119.720 -0.597 17482 11012 1 19 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.185 0.156 17482 11013 1 19 . 1 1 43 43 LYS C C 43 176.631 176.631 176.696 -0.065 17482 11014 1 19 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.654 0.143 17482 11015 1 19 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.795 0.601 17482 11016 1 19 . 1 1 43 43 LYS H H 43 7.834 7.834 8.225 -0.391 17482 11017 1 19 . 1 1 44 44 VAL N N 44 116.413 116.413 119.262 -2.849 17482 11018 1 19 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.167 -0.021 17482 11019 1 19 . 1 1 44 44 VAL C C 44 175.018 175.018 174.370 0.648 17482 11020 1 19 . 1 1 44 44 VAL CA C 44 62.331 62.331 60.915 1.416 17482 11021 1 19 . 1 1 44 44 VAL CB C 44 32.641 32.641 33.270 -0.629 17482 11022 1 19 . 1 1 44 44 VAL H H 44 7.650 7.650 7.081 0.569 17482 11023 1 19 . 1 1 45 45 GLN N N 45 122.078 122.078 128.320 -6.242 17482 11024 1 19 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.645 0.014 17482 11025 1 19 . 1 1 45 45 GLN CA C 45 53.664 53.664 52.630 1.034 17482 11026 1 19 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.415 0.914 17482 11027 1 19 . 1 1 45 45 GLN H H 45 8.154 8.154 8.444 -0.290 17482 11028 1 19 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.464 -0.031 17482 11029 1 19 . 1 1 46 46 PRO C C 46 177.329 177.329 177.039 0.290 17482 11030 1 19 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.518 1.236 17482 11031 1 19 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.339 -0.108 17482 11032 1 19 . 1 1 47 47 GLU N N 47 119.456 119.456 117.210 2.246 17482 11033 1 19 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.096 0.115 17482 11034 1 19 . 1 1 47 47 GLU C C 47 176.484 176.484 176.207 0.277 17482 11035 1 19 . 1 1 47 47 GLU CA C 47 57.468 57.468 57.645 -0.177 17482 11036 1 19 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.553 0.776 17482 11037 1 19 . 1 1 47 47 GLU H H 47 8.491 8.491 8.464 0.027 17482 11038 1 19 . 1 1 48 48 ASP N N 48 119.108 119.108 118.363 0.745 17482 11039 1 19 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.687 -0.102 17482 11040 1 19 . 1 1 48 48 ASP C C 48 175.863 175.863 175.857 0.006 17482 11041 1 19 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.115 1.464 17482 11042 1 19 . 1 1 48 48 ASP CB C 48 41.131 41.131 41.748 -0.617 17482 11043 1 19 . 1 1 48 48 ASP H H 48 8.137 8.137 7.996 0.141 17482 11044 1 19 . 1 1 49 49 ASN N N 49 117.714 117.714 117.360 0.354 17482 11045 1 19 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.749 -0.084 17482 11046 1 19 . 1 1 49 49 ASN C C 49 174.975 174.975 175.116 -0.141 17482 11047 1 19 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.627 0.101 17482 11048 1 19 . 1 1 49 49 ASN CB C 49 39.131 39.131 40.437 -1.306 17482 11049 1 19 . 1 1 49 49 ASN H H 49 8.173 8.173 8.483 -0.310 17482 11050 1 19 . 1 1 50 50 LYS N N 50 120.215 120.215 120.137 0.078 17482 11051 1 19 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.613 -0.305 17482 11052 1 19 . 1 1 50 50 LYS C C 50 176.950 176.950 175.893 1.057 17482 11053 1 19 . 1 1 50 50 LYS CA C 50 56.828 56.828 55.483 1.345 17482 11054 1 19 . 1 1 50 50 LYS CB C 50 33.031 33.031 33.684 -0.652 17482 11055 1 19 . 1 1 50 50 LYS H H 50 8.098 8.098 7.739 0.358 17482 11056 1 19 . 1 1 51 51 GLY N N 51 109.286 109.286 107.771 1.515 17482 11057 1 19 . 1 1 51 51 GLY C C 51 175.251 175.251 174.180 1.071 17482 11058 1 19 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.474 0.439 17482 11059 1 19 . 1 1 51 51 GLY H H 51 8.295 8.295 8.426 -0.131 17482 11060 1 19 . 1 1 52 52 VAL N N 52 119.528 119.528 123.976 -4.448 17482 11061 1 19 . 1 1 52 52 VAL HA H 52 3.864 3.864 4.199 -0.335 17482 11062 1 19 . 1 1 52 52 VAL C C 52 176.372 176.372 177.442 -1.070 17482 11063 1 19 . 1 1 52 52 VAL CA C 52 64.346 64.346 63.004 1.342 17482 11064 1 19 . 1 1 52 52 VAL CB C 52 32.230 32.230 32.287 -0.057 17482 11065 1 19 . 1 1 52 52 VAL H H 52 7.940 7.940 8.405 -0.465 17482 11066 1 19 . 1 1 53 53 PHE N N 53 118.265 118.265 121.145 -2.880 17482 11067 1 19 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.208 0.385 17482 11068 1 19 . 1 1 53 53 PHE C C 53 176.441 176.441 177.513 -1.072 17482 11069 1 19 . 1 1 53 53 PHE CA C 53 58.676 58.676 60.256 -1.580 17482 11070 1 19 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.228 0.407 17482 11071 1 19 . 1 1 53 53 PHE H H 53 8.046 8.046 8.508 -0.462 17482 11072 1 19 . 1 1 54 54 GLN N N 54 119.441 119.441 117.999 1.442 17482 11073 1 19 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.131 0.040 17482 11074 1 19 . 1 1 54 54 GLN C C 54 177.166 177.166 177.705 -0.539 17482 11075 1 19 . 1 1 54 54 GLN CA C 54 57.549 57.549 58.472 -0.923 17482 11076 1 19 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.531 0.968 17482 11077 1 19 . 1 1 54 54 GLN H H 54 7.978 7.978 8.338 -0.360 17482 11078 1 19 . 1 1 55 55 GLY N N 55 107.822 107.822 105.951 1.871 17482 11079 1 19 . 1 1 55 55 GLY C C 55 175.294 175.294 176.481 -1.187 17482 11080 1 19 . 1 1 55 55 GLY CA C 55 46.188 46.188 45.746 0.442 17482 11081 1 19 . 1 1 55 55 GLY H H 55 8.120 8.120 8.273 -0.153 17482 11082 1 19 . 1 1 56 56 VAL N N 56 119.174 119.174 123.549 -4.375 17482 11083 1 19 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.622 0.350 17482 11084 1 19 . 1 1 56 56 VAL C C 56 176.527 176.527 176.818 -0.291 17482 11085 1 19 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.947 -1.943 17482 11086 1 19 . 1 1 56 56 VAL CB C 56 32.192 32.192 30.796 1.396 17482 11087 1 19 . 1 1 56 56 VAL H H 56 7.774 7.774 8.058 -0.284 17482 11088 1 19 . 1 1 57 57 HIS N N 57 119.221 119.221 118.516 0.705 17482 11089 1 19 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.407 0.135 17482 11090 1 19 . 1 1 57 57 HIS CA C 57 56.973 56.973 58.733 -1.760 17482 11091 1 19 . 1 1 57 57 HIS CB C 57 29.608 29.608 29.807 -0.199 17482 11092 1 19 . 1 1 57 57 HIS H H 57 8.201 8.201 7.779 0.422 17482 11093 1 19 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.489 0.091 17482 11094 1 19 . 1 1 58 58 ASP C C 58 177.097 177.097 177.874 -0.777 17482 11095 1 19 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.061 -2.040 17482 11096 1 19 . 1 1 58 58 ASP CB C 58 41.236 41.236 41.104 0.132 17482 11097 1 19 . 1 1 59 59 SER N N 59 116.347 116.347 115.463 0.884 17482 11098 1 19 . 1 1 59 59 SER HA H 59 4.372 4.372 4.239 0.133 17482 11099 1 19 . 1 1 59 59 SER C C 59 175.087 175.087 175.821 -0.734 17482 11100 1 19 . 1 1 59 59 SER CA C 59 59.207 59.207 61.116 -1.909 17482 11101 1 19 . 1 1 59 59 SER CB C 59 63.780 63.780 62.995 0.785 17482 11102 1 19 . 1 1 59 59 SER H H 59 8.134 8.134 7.584 0.550 17482 11103 1 19 . 1 1 60 60 ALA N N 60 125.097 125.097 123.358 1.739 17482 11104 1 19 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.010 0.243 17482 11105 1 19 . 1 1 60 60 ALA C C 60 178.192 178.192 178.850 -0.658 17482 11106 1 19 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.220 -0.659 17482 11107 1 19 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.706 0.372 17482 11108 1 19 . 1 1 60 60 ALA H H 60 8.203 8.203 7.457 0.746 17482 11109 1 19 . 1 1 61 61 GLU N N 61 118.432 118.432 118.251 0.181 17482 11110 1 19 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.065 0.135 17482 11111 1 19 . 1 1 61 61 GLU C C 61 177.036 177.036 176.993 0.043 17482 11112 1 19 . 1 1 61 61 GLU CA C 61 57.224 57.224 58.422 -1.198 17482 11113 1 19 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.872 0.356 17482 11114 1 19 . 1 1 61 61 GLU H H 61 8.095 8.095 7.659 0.436 17482 11115 1 19 . 1 1 62 62 LYS N N 62 120.770 120.770 118.712 2.058 17482 11116 1 19 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.303 -0.006 17482 11117 1 19 . 1 1 62 62 LYS C C 62 177.450 177.450 175.465 1.985 17482 11118 1 19 . 1 1 62 62 LYS CA C 62 56.826 56.826 56.751 0.075 17482 11119 1 19 . 1 1 62 62 LYS CB C 62 32.943 32.943 33.036 -0.093 17482 11120 1 19 . 1 1 62 62 LYS H H 62 7.969 7.969 7.944 0.025 17482 11121 1 19 . 1 1 63 63 GLY N N 63 108.912 108.912 109.390 -0.478 17482 11122 1 19 . 1 1 63 63 GLY C C 63 174.432 174.432 173.906 0.526 17482 11123 1 19 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.530 1.221 17482 11124 1 19 . 1 1 63 63 GLY H H 63 8.287 8.287 8.213 0.074 17482 11125 1 19 . 1 1 64 64 LYS N N 64 120.529 120.529 120.937 -0.408 17482 11126 1 19 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.472 -0.174 17482 11127 1 19 . 1 1 64 64 LYS C C 64 176.622 176.622 175.559 1.063 17482 11128 1 19 . 1 1 64 64 LYS CA C 64 56.731 56.731 55.278 1.453 17482 11129 1 19 . 1 1 64 64 LYS CB C 64 33.117 33.117 34.287 -1.170 17482 11130 1 19 . 1 1 64 64 LYS H H 64 8.019 8.019 7.824 0.195 17482 11131 1 19 . 1 1 65 65 ASP N N 65 120.673 120.673 120.479 0.194 17482 11132 1 19 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.604 -0.024 17482 11133 1 19 . 1 1 65 65 ASP C C 65 176.226 176.226 176.093 0.133 17482 11134 1 19 . 1 1 65 65 ASP CA C 65 54.783 54.783 53.833 0.950 17482 11135 1 19 . 1 1 65 65 ASP CB C 65 41.172 41.172 41.497 -0.325 17482 11136 1 19 . 1 1 65 65 ASP H H 65 8.296 8.296 8.395 -0.099 17482 11137 1 19 . 1 1 66 66 ASN N N 66 118.902 118.902 118.281 0.621 17482 11138 1 19 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.483 0.207 17482 11139 1 19 . 1 1 66 66 ASN C C 66 175.217 175.217 175.138 0.079 17482 11140 1 19 . 1 1 66 66 ASN CA C 66 53.475 53.475 54.882 -1.407 17482 11141 1 19 . 1 1 66 66 ASN CB C 66 39.117 39.117 38.490 0.627 17482 11142 1 19 . 1 1 66 66 ASN H H 66 8.212 8.212 8.580 -0.368 17482 11143 1 19 . 1 1 67 67 ALA N N 67 124.149 124.149 126.789 -2.640 17482 11144 1 19 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.284 0.016 17482 11145 1 19 . 1 1 67 67 ALA C C 67 177.890 177.890 176.462 1.428 17482 11146 1 19 . 1 1 67 67 ALA CA C 67 53.053 53.053 51.956 1.097 17482 11147 1 19 . 1 1 67 67 ALA CB C 67 19.427 19.427 19.748 -0.321 17482 11148 1 19 . 1 1 67 67 ALA H H 67 8.212 8.212 8.300 -0.088 17482 11149 1 19 . 1 1 68 68 GLU N N 68 119.216 119.216 118.656 0.560 17482 11150 1 19 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.090 0.181 17482 11151 1 19 . 1 1 68 68 GLU C C 68 177.243 177.243 175.580 1.663 17482 11152 1 19 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.827 -0.030 17482 11153 1 19 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.065 0.094 17482 11154 1 19 . 1 1 68 68 GLU H H 68 8.286 8.286 8.465 -0.179 17482 11155 1 19 . 1 1 69 69 GLY N N 69 109.637 109.637 107.678 1.959 17482 11156 1 19 . 1 1 69 69 GLY C C 69 174.371 174.371 173.458 0.913 17482 11157 1 19 . 1 1 69 69 GLY CA C 69 45.634 45.634 44.959 0.674 17482 11158 1 19 . 1 1 69 69 GLY H H 69 8.293 8.293 8.357 -0.064 17482 11159 1 19 . 1 1 70 70 GLN N N 70 119.629 119.629 119.373 0.256 17482 11160 1 19 . 1 1 70 70 GLN HA H 70 4.393 4.393 3.931 0.462 17482 11161 1 19 . 1 1 70 70 GLN C C 70 176.502 176.502 176.451 0.051 17482 11162 1 19 . 1 1 70 70 GLN CA C 70 56.046 56.046 56.268 -0.222 17482 11163 1 19 . 1 1 70 70 GLN CB C 70 29.627 29.627 26.637 2.990 17482 11164 1 19 . 1 1 70 70 GLN H H 70 8.201 8.201 8.602 -0.401 17482 11165 1 19 . 1 1 71 71 GLY N N 71 109.977 109.977 106.152 3.825 17482 11166 1 19 . 1 1 71 71 GLY C C 71 173.992 173.992 174.084 -0.092 17482 11167 1 19 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.678 0.956 17482 11168 1 19 . 1 1 71 71 GLY H H 71 8.424 8.424 8.275 0.149 17482 11169 1 19 . 1 1 72 72 GLU N N 72 120.532 120.532 119.417 1.115 17482 11170 1 19 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.055 0.356 17482 11171 1 19 . 1 1 72 72 GLU C C 72 176.639 176.639 175.682 0.957 17482 11172 1 19 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.777 -0.159 17482 11173 1 19 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.139 0.592 17482 11174 1 19 . 1 1 72 72 GLU H H 72 8.244 8.244 8.324 -0.080 17482 11175 1 19 . 1 1 73 73 SER N N 73 117.827 117.827 117.295 0.532 17482 11176 1 19 . 1 1 73 73 SER HA H 73 4.589 4.589 4.297 0.292 17482 11177 1 19 . 1 1 73 73 SER C C 73 175.475 175.475 175.947 -0.472 17482 11178 1 19 . 1 1 73 73 SER CA C 73 58.064 58.064 58.958 -0.894 17482 11179 1 19 . 1 1 73 73 SER CB C 73 64.761 64.761 63.054 1.707 17482 11180 1 19 . 1 1 73 73 SER H H 73 8.689 8.689 8.494 0.195 17482 11181 1 19 . 1 1 74 74 LEU N N 74 124.414 124.414 129.549 -5.135 17482 11182 1 19 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.015 0.186 17482 11183 1 19 . 1 1 74 74 LEU C C 74 178.735 178.735 177.921 0.814 17482 11184 1 19 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.585 0.310 17482 11185 1 19 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.912 0.022 17482 11186 1 19 . 1 1 74 74 LEU H H 74 8.514 8.514 8.473 0.041 17482 11187 1 19 . 1 1 75 75 ALA N N 75 120.291 120.291 119.955 0.336 17482 11188 1 19 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.980 0.010 17482 11189 1 19 . 1 1 75 75 ALA C C 75 179.046 179.046 180.064 -1.018 17482 11190 1 19 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.981 0.286 17482 11191 1 19 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.664 0.930 17482 11192 1 19 . 1 1 75 75 ALA H H 75 8.160 8.160 8.269 -0.109 17482 11193 1 19 . 1 1 76 76 ASP N N 76 117.288 117.288 117.216 0.072 17482 11194 1 19 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.538 -0.132 17482 11195 1 19 . 1 1 76 76 ASP C C 76 178.476 178.476 178.667 -0.191 17482 11196 1 19 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.825 0.308 17482 11197 1 19 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.121 -0.469 17482 11198 1 19 . 1 1 76 76 ASP H H 76 7.773 7.773 8.167 -0.394 17482 11199 1 19 . 1 1 77 77 GLN N N 77 119.454 119.454 119.299 0.155 17482 11200 1 19 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.068 0.094 17482 11201 1 19 . 1 1 77 77 GLN C C 77 178.037 178.037 178.026 0.011 17482 11202 1 19 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.345 0.036 17482 11203 1 19 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.780 0.699 17482 11204 1 19 . 1 1 77 77 GLN H H 77 7.994 7.994 7.815 0.179 17482 11205 1 19 . 1 1 78 78 ALA N N 78 121.577 121.577 123.218 -1.641 17482 11206 1 19 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.161 -0.012 17482 11207 1 19 . 1 1 78 78 ALA C C 78 178.977 178.977 179.542 -0.565 17482 11208 1 19 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.307 -0.176 17482 11209 1 19 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.248 0.407 17482 11210 1 19 . 1 1 78 78 ALA H H 78 8.498 8.498 8.562 -0.064 17482 11211 1 19 . 1 1 79 79 ARG N N 79 117.138 117.138 118.353 -1.215 17482 11212 1 19 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.024 -0.012 17482 11213 1 19 . 1 1 79 79 ARG C C 79 175.449 175.449 178.840 -3.391 17482 11214 1 19 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.116 0.387 17482 11215 1 19 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.823 0.323 17482 11216 1 19 . 1 1 79 79 ARG H H 79 8.101 8.101 7.838 0.263 17482 11217 1 19 . 1 1 80 80 ASP N N 80 120.784 120.784 119.613 1.171 17482 11218 1 19 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.506 0.007 17482 11219 1 19 . 1 1 80 80 ASP C C 80 178.882 178.882 178.479 0.403 17482 11220 1 19 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.683 -0.807 17482 11221 1 19 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.048 -0.720 17482 11222 1 19 . 1 1 80 80 ASP H H 80 8.000 8.000 7.721 0.279 17482 11223 1 19 . 1 1 81 81 TYR N N 81 120.298 120.298 120.968 -0.670 17482 11224 1 19 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.303 0.128 17482 11225 1 19 . 1 1 81 81 TYR C C 81 177.855 177.855 177.517 0.338 17482 11226 1 19 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.403 0.431 17482 11227 1 19 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.677 -0.199 17482 11228 1 19 . 1 1 81 81 TYR H H 81 8.127 8.127 7.608 0.519 17482 11229 1 19 . 1 1 82 82 MET N N 82 118.452 118.452 117.727 0.725 17482 11230 1 19 . 1 1 82 82 MET HA H 82 4.239 4.239 3.915 0.324 17482 11231 1 19 . 1 1 82 82 MET C C 82 178.175 178.175 178.785 -0.610 17482 11232 1 19 . 1 1 82 82 MET CA C 82 58.757 58.757 58.398 0.359 17482 11233 1 19 . 1 1 82 82 MET CB C 82 32.631 32.631 31.951 0.680 17482 11234 1 19 . 1 1 82 82 MET H H 82 8.382 8.382 8.846 -0.464 17482 11235 1 19 . 1 1 83 83 GLY N N 83 106.740 106.740 105.456 1.284 17482 11236 1 19 . 1 1 83 83 GLY C C 83 176.717 176.717 175.234 1.483 17482 11237 1 19 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.199 0.132 17482 11238 1 19 . 1 1 83 83 GLY H H 83 8.308 8.308 7.983 0.325 17482 11239 1 19 . 1 1 84 84 ALA N N 84 125.357 125.357 124.033 1.324 17482 11240 1 19 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.191 0.096 17482 11241 1 19 . 1 1 84 84 ALA C C 84 180.149 180.149 179.262 0.887 17482 11242 1 19 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.600 0.048 17482 11243 1 19 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.278 0.263 17482 11244 1 19 . 1 1 84 84 ALA H H 84 7.905 7.905 7.437 0.468 17482 11245 1 19 . 1 1 85 85 ALA N N 85 121.332 121.332 120.700 0.632 17482 11246 1 19 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.957 0.068 17482 11247 1 19 . 1 1 85 85 ALA C C 85 178.847 178.847 179.691 -0.844 17482 11248 1 19 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.918 0.365 17482 11249 1 19 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.014 0.473 17482 11250 1 19 . 1 1 85 85 ALA H H 85 8.341 8.341 7.607 0.734 17482 11251 1 19 . 1 1 86 86 LYS N N 86 116.980 116.980 119.056 -2.076 17482 11252 1 19 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.868 0.004 17482 11253 1 19 . 1 1 86 86 LYS C C 86 178.485 178.485 178.774 -0.289 17482 11254 1 19 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.837 0.356 17482 11255 1 19 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.107 0.224 17482 11256 1 19 . 1 1 86 86 LYS H H 86 8.360 8.360 7.672 0.688 17482 11257 1 19 . 1 1 87 87 SER N N 87 113.632 113.632 115.066 -1.434 17482 11258 1 19 . 1 1 87 87 SER HA H 87 4.299 4.299 4.166 0.133 17482 11259 1 19 . 1 1 87 87 SER C C 87 176.467 176.467 176.834 -0.367 17482 11260 1 19 . 1 1 87 87 SER CA C 87 61.614 61.614 61.302 0.312 17482 11261 1 19 . 1 1 87 87 SER CB C 87 63.064 63.064 62.960 0.104 17482 11262 1 19 . 1 1 87 87 SER H H 87 7.863 7.863 7.713 0.150 17482 11263 1 19 . 1 1 88 88 LYS N N 88 120.925 120.925 121.324 -0.399 17482 11264 1 19 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.033 0.312 17482 11265 1 19 . 1 1 88 88 LYS C C 88 178.502 178.502 178.952 -0.450 17482 11266 1 19 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.612 -0.916 17482 11267 1 19 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.177 -0.166 17482 11268 1 19 . 1 1 88 88 LYS H H 88 7.843 7.843 7.678 0.165 17482 11269 1 19 . 1 1 89 89 LEU N N 89 119.955 119.955 121.730 -1.775 17482 11270 1 19 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.918 0.187 17482 11271 1 19 . 1 1 89 89 LEU C C 89 178.209 178.209 178.511 -0.302 17482 11272 1 19 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.928 0.269 17482 11273 1 19 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.549 0.082 17482 11274 1 19 . 1 1 89 89 LEU H H 89 8.174 8.174 8.452 -0.278 17482 11275 1 19 . 1 1 90 90 ASN N N 90 117.013 117.013 116.258 0.755 17482 11276 1 19 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.348 0.045 17482 11277 1 19 . 1 1 90 90 ASN C C 90 174.164 174.164 177.064 -2.900 17482 11278 1 19 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.942 0.224 17482 11279 1 19 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.230 0.722 17482 11280 1 19 . 1 1 90 90 ASN H H 90 8.223 8.223 8.255 -0.032 17482 11281 1 19 . 1 1 91 91 ASP N N 91 119.959 119.959 119.315 0.644 17482 11282 1 19 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.476 -0.019 17482 11283 1 19 . 1 1 91 91 ASP C C 91 178.804 178.804 177.679 1.125 17482 11284 1 19 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.363 0.075 17482 11285 1 19 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.869 -0.690 17482 11286 1 19 . 1 1 91 91 ASP H H 91 8.043 8.043 7.503 0.540 17482 11287 1 19 . 1 1 92 92 ALA N N 92 123.900 123.900 123.052 0.848 17482 11288 1 19 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.250 -0.047 17482 11289 1 19 . 1 1 92 92 ALA C C 92 178.951 178.951 179.730 -0.779 17482 11290 1 19 . 1 1 92 92 ALA CA C 92 55.537 55.537 55.030 0.507 17482 11291 1 19 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.820 -0.316 17482 11292 1 19 . 1 1 92 92 ALA H H 92 8.256 8.256 7.649 0.607 17482 11293 1 19 . 1 1 93 93 VAL N N 93 118.228 118.228 119.589 -1.361 17482 11294 1 19 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.553 0.041 17482 11295 1 19 . 1 1 93 93 VAL C C 93 178.761 178.761 178.124 0.637 17482 11296 1 19 . 1 1 93 93 VAL CA C 93 67.157 67.157 66.747 0.410 17482 11297 1 19 . 1 1 93 93 VAL CB C 93 31.795 31.795 30.422 1.373 17482 11298 1 19 . 1 1 93 93 VAL H H 93 8.449 8.449 8.679 -0.230 17482 11299 1 19 . 1 1 94 94 GLU N N 94 120.485 120.485 119.425 1.060 17482 11300 1 19 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.961 0.084 17482 11301 1 19 . 1 1 94 94 GLU C C 94 179.347 179.347 179.372 -0.025 17482 11302 1 19 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.095 -0.464 17482 11303 1 19 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.533 -0.002 17482 11304 1 19 . 1 1 94 94 GLU H H 94 8.175 8.175 7.861 0.314 17482 11305 1 19 . 1 1 95 95 TYR N N 95 120.806 120.806 119.565 1.241 17482 11306 1 19 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.288 -0.060 17482 11307 1 19 . 1 1 95 95 TYR C C 95 178.407 178.407 177.569 0.838 17482 11308 1 19 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.164 0.397 17482 11309 1 19 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.538 0.093 17482 11310 1 19 . 1 1 95 95 TYR H H 95 8.197 8.197 7.391 0.806 17482 11311 1 19 . 1 1 96 96 VAL N N 96 118.584 118.584 119.888 -1.304 17482 11312 1 19 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.630 -0.147 17482 11313 1 19 . 1 1 96 96 VAL C C 96 177.752 177.752 178.114 -0.362 17482 11314 1 19 . 1 1 96 96 VAL CA C 96 66.680 66.680 67.226 -0.546 17482 11315 1 19 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.463 0.559 17482 11316 1 19 . 1 1 96 96 VAL H H 96 8.525 8.525 8.547 -0.022 17482 11317 1 19 . 1 1 97 97 SER N N 97 114.566 114.566 114.812 -0.246 17482 11318 1 19 . 1 1 97 97 SER HA H 97 4.080 4.080 4.211 -0.131 17482 11319 1 19 . 1 1 97 97 SER C C 97 176.803 176.803 177.227 -0.424 17482 11320 1 19 . 1 1 97 97 SER CA C 97 61.800 61.800 62.091 -0.291 17482 11321 1 19 . 1 1 97 97 SER CB C 97 63.258 63.258 62.656 0.603 17482 11322 1 19 . 1 1 97 97 SER H H 97 8.642 8.642 8.829 -0.187 17482 11323 1 19 . 1 1 98 98 GLY N N 98 107.586 107.586 106.949 0.637 17482 11324 1 19 . 1 1 98 98 GLY C C 98 175.553 175.553 175.126 0.427 17482 11325 1 19 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.811 0.745 17482 11326 1 19 . 1 1 98 98 GLY H H 98 7.926 7.926 7.623 0.303 17482 11327 1 19 . 1 1 99 99 ARG N N 99 119.948 119.948 119.444 0.504 17482 11328 1 19 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.238 -0.035 17482 11329 1 19 . 1 1 99 99 ARG C C 99 177.830 177.830 178.136 -0.306 17482 11330 1 19 . 1 1 99 99 ARG CA C 99 57.129 57.129 56.953 0.176 17482 11331 1 19 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.630 -0.418 17482 11332 1 19 . 1 1 99 99 ARG H H 99 7.611 7.611 7.468 0.143 17482 11333 1 19 . 1 1 100 100 VAL N N 100 116.709 116.709 117.413 -0.704 17482 11334 1 19 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.762 0.178 17482 11335 1 19 . 1 1 100 100 VAL C C 100 176.381 176.381 175.843 0.538 17482 11336 1 19 . 1 1 100 100 VAL CA C 100 63.931 63.931 64.723 -0.792 17482 11337 1 19 . 1 1 100 100 VAL CB C 100 32.331 32.331 32.268 0.063 17482 11338 1 19 . 1 1 100 100 VAL H H 100 7.906 7.906 8.180 -0.274 17482 11339 1 19 . 1 1 101 101 HIS N N 101 117.584 117.584 118.540 -0.956 17482 11340 1 19 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.204 0.571 17482 11341 1 19 . 1 1 101 101 HIS C C 101 175.484 175.484 174.818 0.666 17482 11342 1 19 . 1 1 101 101 HIS CA C 101 55.862 55.862 56.434 -0.572 17482 11343 1 19 . 1 1 101 101 HIS CB C 101 29.517 29.517 27.881 1.636 17482 11344 1 19 . 1 1 101 101 HIS H H 101 8.061 8.061 7.678 0.383 17482 11345 1 19 . 1 1 102 102 GLY N N 102 109.164 109.164 108.407 0.757 17482 11346 1 19 . 1 1 102 102 GLY C C 102 174.121 174.121 173.091 1.030 17482 11347 1 19 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.559 0.160 17482 11348 1 19 . 1 1 102 102 GLY H H 102 7.990 7.990 8.437 -0.447 17482 11349 1 19 . 1 1 103 103 GLU N N 103 120.493 120.493 118.946 1.547 17482 11350 1 19 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.492 -0.177 17482 11351 1 19 . 1 1 103 103 GLU C C 103 176.467 176.467 174.045 2.422 17482 11352 1 19 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.965 0.486 17482 11353 1 19 . 1 1 103 103 GLU CB C 103 30.731 30.731 32.539 -1.808 17482 11354 1 19 . 1 1 103 103 GLU H H 103 8.320 8.320 8.276 0.044 17482 11355 1 19 . 1 1 104 104 GLU N N 104 122.018 122.018 119.945 2.073 17482 11356 1 19 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.532 -0.269 17482 11357 1 19 . 1 1 104 104 GLU C C 104 175.820 175.820 174.321 1.499 17482 11358 1 19 . 1 1 104 104 GLU CA C 104 56.480 56.480 56.028 0.452 17482 11359 1 19 . 1 1 104 104 GLU CB C 104 30.654 30.654 31.762 -1.108 17482 11360 1 19 . 1 1 104 104 GLU H H 104 8.358 8.358 8.475 -0.117 17482 11361 1 19 . 1 1 105 105 ASP N N 105 122.625 122.625 120.542 2.083 17482 11362 1 19 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.982 -0.084 17482 11363 1 19 . 1 1 105 105 ASP CA C 105 51.728 51.728 52.942 -1.214 17482 11364 1 19 . 1 1 105 105 ASP CB C 105 41.614 41.614 43.075 -1.461 17482 11365 1 19 . 1 1 105 105 ASP H H 105 8.350 8.350 8.504 -0.154 17482 11366 1 19 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.590 -0.124 17482 11367 1 19 . 1 1 106 106 PRO C C 106 177.605 177.605 176.238 1.367 17482 11368 1 19 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.141 0.780 17482 11369 1 19 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.454 -0.158 17482 11370 1 19 . 1 1 107 107 THR N N 107 111.954 111.954 111.165 0.789 17482 11371 1 19 . 1 1 107 107 THR HA H 107 4.281 4.281 4.485 -0.204 17482 11372 1 19 . 1 1 107 107 THR C C 107 174.889 174.889 173.234 1.655 17482 11373 1 19 . 1 1 107 107 THR CA C 107 62.896 62.896 61.457 1.439 17482 11374 1 19 . 1 1 107 107 THR CB C 107 69.593 69.593 69.586 0.007 17482 11375 1 19 . 1 1 107 107 THR H H 107 8.355 8.355 8.057 0.298 17482 11376 1 19 . 1 1 108 108 LYS N N 108 123.177 123.177 122.200 0.977 17482 11377 1 19 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.826 -0.471 17482 11378 1 19 . 1 1 108 108 LYS C C 108 175.406 175.406 175.410 -0.004 17482 11379 1 19 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.202 1.050 17482 11380 1 19 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.599 -0.635 17482 11381 1 19 . 1 1 108 108 LYS H H 108 7.739 7.739 8.426 -0.687 17482 11382 1 20 . 1 1 2 2 SER HA H 2 4.546 4.546 5.334 -0.788 17482 11383 1 20 . 1 1 2 2 SER CA C 2 58.499 58.499 56.991 1.508 17482 11384 1 20 . 1 1 2 2 SER CB C 2 64.011 64.011 65.076 -1.065 17482 11385 1 20 . 1 1 3 3 ASP HA H 3 4.602 4.602 5.374 -0.772 17482 11386 1 20 . 1 1 3 3 ASP C C 3 176.010 176.010 174.479 1.531 17482 11387 1 20 . 1 1 3 3 ASP CA C 3 54.736 54.736 53.427 1.309 17482 11388 1 20 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.605 -0.336 17482 11389 1 20 . 1 1 4 4 ALA N N 4 123.253 123.253 121.203 2.050 17482 11390 1 20 . 1 1 4 4 ALA HA H 4 4.326 4.326 5.306 -0.980 17482 11391 1 20 . 1 1 4 4 ALA C C 4 178.097 178.097 176.169 1.928 17482 11392 1 20 . 1 1 4 4 ALA CA C 4 52.847 52.847 51.810 1.037 17482 11393 1 20 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.835 -1.512 17482 11394 1 20 . 1 1 4 4 ALA H H 4 8.095 8.095 9.205 -1.110 17482 11395 1 20 . 1 1 5 5 GLY N N 5 107.651 107.651 106.899 0.752 17482 11396 1 20 . 1 1 5 5 GLY C C 5 174.828 174.828 173.851 0.977 17482 11397 1 20 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.968 0.480 17482 11398 1 20 . 1 1 5 5 GLY H H 5 8.167 8.167 8.304 -0.137 17482 11399 1 20 . 1 1 6 6 ARG N N 6 120.230 120.230 118.694 1.536 17482 11400 1 20 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.214 0.135 17482 11401 1 20 . 1 1 6 6 ARG C C 6 176.562 176.562 175.082 1.480 17482 11402 1 20 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.788 -0.389 17482 11403 1 20 . 1 1 6 6 ARG CB C 6 30.831 30.831 30.684 0.147 17482 11404 1 20 . 1 1 6 6 ARG H H 6 8.060 8.060 8.242 -0.182 17482 11405 1 20 . 1 1 7 7 LYS N N 7 121.076 121.076 118.515 2.561 17482 11406 1 20 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.599 -0.342 17482 11407 1 20 . 1 1 7 7 LYS C C 7 177.010 177.010 176.926 0.084 17482 11408 1 20 . 1 1 7 7 LYS CA C 7 56.920 56.920 55.741 1.179 17482 11409 1 20 . 1 1 7 7 LYS CB C 7 32.831 32.831 34.677 -1.846 17482 11410 1 20 . 1 1 7 7 LYS H H 7 8.181 8.181 8.278 -0.097 17482 11411 1 20 . 1 1 8 8 GLY N N 8 108.196 108.196 109.406 -1.210 17482 11412 1 20 . 1 1 8 8 GLY C C 8 174.828 174.828 176.041 -1.213 17482 11413 1 20 . 1 1 8 8 GLY CA C 8 45.829 45.829 47.036 -1.207 17482 11414 1 20 . 1 1 8 8 GLY H H 8 8.141 8.141 8.693 -0.552 17482 11415 1 20 . 1 1 9 9 PHE N N 9 120.374 120.374 121.145 -0.771 17482 11416 1 20 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.498 -0.106 17482 11417 1 20 . 1 1 9 9 PHE C C 9 176.898 176.898 176.956 -0.058 17482 11418 1 20 . 1 1 9 9 PHE CA C 9 59.980 59.980 59.050 0.930 17482 11419 1 20 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.349 0.204 17482 11420 1 20 . 1 1 9 9 PHE H H 9 8.072 8.072 8.324 -0.252 17482 11421 1 20 . 1 1 10 10 GLY N N 10 107.944 107.944 108.074 -0.130 17482 11422 1 20 . 1 1 10 10 GLY C C 10 175.441 175.441 175.349 0.092 17482 11423 1 20 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.264 -0.442 17482 11424 1 20 . 1 1 10 10 GLY H H 10 8.431 8.431 7.745 0.686 17482 11425 1 20 . 1 1 11 11 GLU N N 11 121.098 121.098 121.219 -0.121 17482 11426 1 20 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.912 0.188 17482 11427 1 20 . 1 1 11 11 GLU C C 11 175.234 175.234 179.145 -3.911 17482 11428 1 20 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.280 -0.309 17482 11429 1 20 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.041 0.857 17482 11430 1 20 . 1 1 11 11 GLU H H 11 8.003 8.003 7.786 0.217 17482 11431 1 20 . 1 1 12 12 LYS N N 12 119.103 119.103 119.382 -0.279 17482 11432 1 20 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.015 0.129 17482 11433 1 20 . 1 1 12 12 LYS C C 12 178.520 178.520 178.824 -0.304 17482 11434 1 20 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.662 -0.325 17482 11435 1 20 . 1 1 12 12 LYS CB C 12 32.394 32.394 32.118 0.276 17482 11436 1 20 . 1 1 12 12 LYS H H 12 7.930 7.930 7.355 0.575 17482 11437 1 20 . 1 1 13 13 ALA N N 13 121.534 121.534 122.750 -1.216 17482 11438 1 20 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.991 0.020 17482 11439 1 20 . 1 1 13 13 ALA C C 13 178.364 178.364 179.907 -1.543 17482 11440 1 20 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.227 -0.499 17482 11441 1 20 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.999 0.461 17482 11442 1 20 . 1 1 13 13 ALA H H 13 8.216 8.216 8.377 -0.161 17482 11443 1 20 . 1 1 14 14 SER N N 14 111.263 111.263 112.320 -1.057 17482 11444 1 20 . 1 1 14 14 SER HA H 14 4.114 4.114 4.167 -0.053 17482 11445 1 20 . 1 1 14 14 SER C C 14 176.148 176.148 176.875 -0.727 17482 11446 1 20 . 1 1 14 14 SER CA C 14 61.159 61.159 61.986 -0.827 17482 11447 1 20 . 1 1 14 14 SER CB C 14 63.250 63.250 63.065 0.186 17482 11448 1 20 . 1 1 14 14 SER H H 14 8.000 8.000 8.184 -0.183 17482 11449 1 20 . 1 1 15 15 GLU N N 15 119.902 119.902 120.137 -0.235 17482 11450 1 20 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.122 0.044 17482 11451 1 20 . 1 1 15 15 GLU C C 15 177.493 177.493 177.879 -0.386 17482 11452 1 20 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.759 -0.746 17482 11453 1 20 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.613 0.328 17482 11454 1 20 . 1 1 15 15 GLU H H 15 7.724 7.724 7.410 0.314 17482 11455 1 20 . 1 1 16 16 ALA N N 16 120.687 120.687 122.467 -1.780 17482 11456 1 20 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.021 0.240 17482 11457 1 20 . 1 1 16 16 ALA C C 16 177.933 177.933 179.190 -1.257 17482 11458 1 20 . 1 1 16 16 ALA CA C 16 53.775 53.775 55.009 -1.234 17482 11459 1 20 . 1 1 16 16 ALA CB C 16 19.544 19.544 18.969 0.575 17482 11460 1 20 . 1 1 16 16 ALA H H 16 7.726 7.726 8.121 -0.395 17482 11461 1 20 . 1 1 17 17 LEU N N 17 116.559 116.559 116.220 0.339 17482 11462 1 20 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.140 0.219 17482 11463 1 20 . 1 1 17 17 LEU C C 17 176.277 176.277 177.655 -1.378 17482 11464 1 20 . 1 1 17 17 LEU CA C 17 54.934 54.934 57.021 -2.087 17482 11465 1 20 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.600 0.964 17482 11466 1 20 . 1 1 17 17 LEU H H 17 7.634 7.634 7.560 0.074 17482 11467 1 20 . 1 1 18 18 LYS N N 18 120.269 120.269 119.435 0.834 17482 11468 1 20 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.402 0.165 17482 11469 1 20 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.286 -0.797 17482 11470 1 20 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.618 -0.098 17482 11471 1 20 . 1 1 18 18 LYS H H 18 7.761 7.761 7.546 0.215 17482 11472 1 20 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.398 0.045 17482 11473 1 20 . 1 1 19 19 PRO C C 19 176.984 176.984 176.022 0.962 17482 11474 1 20 . 1 1 19 19 PRO CA C 19 63.833 63.833 63.181 0.652 17482 11475 1 20 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.372 -0.125 17482 11476 1 20 . 1 1 20 20 ASP N N 20 119.103 119.103 117.370 1.733 17482 11477 1 20 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.644 -0.042 17482 11478 1 20 . 1 1 20 20 ASP C C 20 176.639 176.639 175.138 1.501 17482 11479 1 20 . 1 1 20 20 ASP CA C 20 54.497 54.497 53.903 0.594 17482 11480 1 20 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.951 -0.720 17482 11481 1 20 . 1 1 20 20 ASP H H 20 8.383 8.383 8.304 0.079 17482 11482 1 20 . 1 1 21 21 SER N N 21 115.970 115.970 114.645 1.325 17482 11483 1 20 . 1 1 21 21 SER HA H 21 4.376 4.376 4.227 0.149 17482 11484 1 20 . 1 1 21 21 SER C C 21 174.889 174.889 173.030 1.859 17482 11485 1 20 . 1 1 21 21 SER CA C 21 59.093 59.093 59.261 -0.168 17482 11486 1 20 . 1 1 21 21 SER CB C 21 63.860 63.860 63.261 0.599 17482 11487 1 20 . 1 1 21 21 SER H H 21 8.054 8.054 8.500 -0.446 17482 11488 1 20 . 1 1 22 22 GLN N N 22 120.766 120.766 119.997 0.769 17482 11489 1 20 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.359 -0.081 17482 11490 1 20 . 1 1 22 22 GLN C C 22 175.984 175.984 174.348 1.636 17482 11491 1 20 . 1 1 22 22 GLN CA C 22 56.739 56.739 55.376 1.363 17482 11492 1 20 . 1 1 22 22 GLN CB C 22 29.191 29.191 30.266 -1.075 17482 11493 1 20 . 1 1 22 22 GLN H H 22 8.452 8.452 8.255 0.197 17482 11494 1 20 . 1 1 23 23 LYS N N 23 120.410 120.410 119.286 1.124 17482 11495 1 20 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.530 -0.193 17482 11496 1 20 . 1 1 23 23 LYS C C 23 176.191 176.191 176.220 -0.029 17482 11497 1 20 . 1 1 23 23 LYS CA C 23 56.208 56.208 56.037 0.171 17482 11498 1 20 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.873 0.863 17482 11499 1 20 . 1 1 23 23 LYS H H 23 7.935 7.935 8.317 -0.382 17482 11500 1 20 . 1 1 24 24 SER N N 24 117.302 117.302 110.714 6.588 17482 11501 1 20 . 1 1 24 24 SER HA H 24 4.492 4.492 4.167 0.325 17482 11502 1 20 . 1 1 24 24 SER C C 24 175.717 175.717 174.607 1.110 17482 11503 1 20 . 1 1 24 24 SER CA C 24 58.145 58.145 59.303 -1.158 17482 11504 1 20 . 1 1 24 24 SER CB C 24 63.815 63.815 62.826 0.989 17482 11505 1 20 . 1 1 24 24 SER H H 24 8.365 8.365 8.633 -0.268 17482 11506 1 20 . 1 1 25 25 TYR N N 25 121.904 121.904 120.978 0.926 17482 11507 1 20 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.109 0.273 17482 11508 1 20 . 1 1 25 25 TYR C C 25 177.752 177.752 176.815 0.937 17482 11509 1 20 . 1 1 25 25 TYR CA C 25 60.945 60.945 60.966 -0.021 17482 11510 1 20 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.793 0.028 17482 11511 1 20 . 1 1 25 25 TYR H H 25 8.205 8.205 8.641 -0.436 17482 11512 1 20 . 1 1 26 26 ALA N N 26 121.123 121.123 120.878 0.245 17482 11513 1 20 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.992 0.065 17482 11514 1 20 . 1 1 26 26 ALA C C 26 179.037 179.037 180.077 -1.040 17482 11515 1 20 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.336 0.201 17482 11516 1 20 . 1 1 26 26 ALA CB C 26 18.474 18.474 17.914 0.560 17482 11517 1 20 . 1 1 26 26 ALA H H 26 8.233 8.233 8.477 -0.244 17482 11518 1 20 . 1 1 27 27 GLU N N 27 117.313 117.313 118.213 -0.900 17482 11519 1 20 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.069 -0.052 17482 11520 1 20 . 1 1 27 27 GLU C C 27 179.166 179.166 178.992 0.174 17482 11521 1 20 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.089 0.389 17482 11522 1 20 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.689 0.176 17482 11523 1 20 . 1 1 27 27 GLU H H 27 7.922 7.922 7.922 0.000 17482 11524 1 20 . 1 1 28 28 GLN N N 28 118.602 118.602 119.474 -0.872 17482 11525 1 20 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.885 0.303 17482 11526 1 20 . 1 1 28 28 GLN C C 28 179.132 179.132 178.875 0.257 17482 11527 1 20 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.757 0.088 17482 11528 1 20 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.446 0.936 17482 11529 1 20 . 1 1 28 28 GLN H H 28 8.179 8.179 7.643 0.536 17482 11530 1 20 . 1 1 29 29 GLY N N 29 107.984 107.984 106.830 1.154 17482 11531 1 20 . 1 1 29 29 GLY C C 29 174.518 174.518 175.661 -1.143 17482 11532 1 20 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.626 0.960 17482 11533 1 20 . 1 1 29 29 GLY H H 29 8.804 8.804 8.432 0.372 17482 11534 1 20 . 1 1 30 30 LYS N N 30 121.339 121.339 122.282 -0.943 17482 11535 1 20 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.848 0.113 17482 11536 1 20 . 1 1 30 30 LYS C C 30 178.925 178.925 179.139 -0.214 17482 11537 1 20 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.103 0.297 17482 11538 1 20 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.285 0.142 17482 11539 1 20 . 1 1 30 30 LYS H H 30 8.406 8.406 7.469 0.937 17482 11540 1 20 . 1 1 31 31 GLU N N 31 119.880 119.880 118.200 1.680 17482 11541 1 20 . 1 1 31 31 GLU HA H 31 4.040 4.040 3.998 0.042 17482 11542 1 20 . 1 1 31 31 GLU C C 31 177.761 177.761 178.845 -1.084 17482 11543 1 20 . 1 1 31 31 GLU CA C 31 59.531 59.531 59.159 0.372 17482 11544 1 20 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.453 0.078 17482 11545 1 20 . 1 1 31 31 GLU H H 31 8.090 8.090 8.169 -0.079 17482 11546 1 20 . 1 1 32 32 TYR N N 32 119.786 119.786 121.078 -1.292 17482 11547 1 20 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.146 0.125 17482 11548 1 20 . 1 1 32 32 TYR C C 32 178.054 178.054 177.558 0.496 17482 11549 1 20 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.781 -0.061 17482 11550 1 20 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.610 0.321 17482 11551 1 20 . 1 1 32 32 TYR H H 32 8.052 8.052 7.744 0.308 17482 11552 1 20 . 1 1 33 33 ILE N N 33 116.856 116.856 118.004 -1.148 17482 11553 1 20 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.688 0.104 17482 11554 1 20 . 1 1 33 33 ILE C C 33 177.519 177.519 178.080 -0.561 17482 11555 1 20 . 1 1 33 33 ILE CA C 33 64.019 64.019 64.963 -0.945 17482 11556 1 20 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.598 0.513 17482 11557 1 20 . 1 1 33 33 ILE H H 33 8.249 8.249 8.163 0.086 17482 11558 1 20 . 1 1 34 34 THR N N 34 114.203 114.203 115.808 -1.605 17482 11559 1 20 . 1 1 34 34 THR HA H 34 3.934 3.934 3.981 -0.047 17482 11560 1 20 . 1 1 34 34 THR C C 34 176.579 176.579 176.735 -0.156 17482 11561 1 20 . 1 1 34 34 THR CA C 34 66.459 66.459 67.207 -0.748 17482 11562 1 20 . 1 1 34 34 THR CB C 34 68.845 68.845 68.384 0.461 17482 11563 1 20 . 1 1 34 34 THR H H 34 8.254 8.254 8.053 0.201 17482 11564 1 20 . 1 1 35 35 ASP N N 35 121.116 121.116 120.826 0.290 17482 11565 1 20 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.462 0.034 17482 11566 1 20 . 1 1 35 35 ASP C C 35 177.933 177.933 178.133 -0.200 17482 11567 1 20 . 1 1 35 35 ASP CA C 35 57.062 57.062 56.884 0.178 17482 11568 1 20 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.742 1.086 17482 11569 1 20 . 1 1 35 35 ASP H H 35 7.880 7.880 7.825 0.055 17482 11570 1 20 . 1 1 36 36 LYS N N 36 116.457 116.457 119.563 -3.106 17482 11571 1 20 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.054 0.103 17482 11572 1 20 . 1 1 36 36 LYS C C 36 177.968 177.968 178.587 -0.619 17482 11573 1 20 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.845 -1.974 17482 11574 1 20 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.213 -0.300 17482 11575 1 20 . 1 1 36 36 LYS H H 36 7.677 7.677 7.301 0.376 17482 11576 1 20 . 1 1 37 37 ALA N N 37 121.588 121.588 121.266 0.322 17482 11577 1 20 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.037 -0.032 17482 11578 1 20 . 1 1 37 37 ALA C C 37 178.795 178.795 179.975 -1.180 17482 11579 1 20 . 1 1 37 37 ALA CA C 37 55.331 55.331 55.023 0.308 17482 11580 1 20 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.169 0.305 17482 11581 1 20 . 1 1 37 37 ALA H H 37 8.296 8.296 8.068 0.228 17482 11582 1 20 . 1 1 38 38 ASP N N 38 116.490 116.490 118.038 -1.548 17482 11583 1 20 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.485 -0.076 17482 11584 1 20 . 1 1 38 38 ASP C C 38 178.347 178.347 178.417 -0.070 17482 11585 1 20 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.279 -0.550 17482 11586 1 20 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.120 -0.072 17482 11587 1 20 . 1 1 38 38 ASP H H 38 8.046 8.046 7.620 0.426 17482 11588 1 20 . 1 1 39 39 LYS N N 39 118.627 118.627 120.759 -2.132 17482 11589 1 20 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.055 0.093 17482 11590 1 20 . 1 1 39 39 LYS C C 39 178.588 178.588 178.974 -0.386 17482 11591 1 20 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.608 -1.382 17482 11592 1 20 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.630 0.027 17482 11593 1 20 . 1 1 39 39 LYS H H 39 7.757 7.757 7.487 0.270 17482 11594 1 20 . 1 1 40 40 VAL N N 40 116.146 116.146 118.768 -2.622 17482 11595 1 20 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.742 0.167 17482 11596 1 20 . 1 1 40 40 VAL C C 40 176.683 176.683 177.349 -0.666 17482 11597 1 20 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.715 -1.307 17482 11598 1 20 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.672 0.662 17482 11599 1 20 . 1 1 40 40 VAL H H 40 7.792 7.792 8.554 -0.762 17482 11600 1 20 . 1 1 41 41 ALA N N 41 122.561 122.561 121.029 1.532 17482 11601 1 20 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.217 -0.094 17482 11602 1 20 . 1 1 41 41 ALA C C 41 179.106 179.106 179.701 -0.595 17482 11603 1 20 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.527 0.002 17482 11604 1 20 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.419 0.182 17482 11605 1 20 . 1 1 41 41 ALA H H 41 8.094 8.094 7.521 0.573 17482 11606 1 20 . 1 1 42 42 GLY N N 42 105.072 105.072 107.055 -1.983 17482 11607 1 20 . 1 1 42 42 GLY C C 42 174.941 174.941 176.036 -1.095 17482 11608 1 20 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.417 -0.390 17482 11609 1 20 . 1 1 42 42 GLY H H 42 8.044 8.044 8.296 -0.252 17482 11610 1 20 . 1 1 43 43 LYS N N 43 119.123 119.123 119.715 -0.592 17482 11611 1 20 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.191 0.150 17482 11612 1 20 . 1 1 43 43 LYS C C 43 176.631 176.631 176.690 -0.059 17482 11613 1 20 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.655 0.142 17482 11614 1 20 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.802 0.594 17482 11615 1 20 . 1 1 43 43 LYS H H 43 7.834 7.834 8.230 -0.396 17482 11616 1 20 . 1 1 44 44 VAL N N 44 116.413 116.413 119.174 -2.761 17482 11617 1 20 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.073 0.073 17482 11618 1 20 . 1 1 44 44 VAL C C 44 175.018 175.018 174.497 0.521 17482 11619 1 20 . 1 1 44 44 VAL CA C 44 62.331 62.331 61.373 0.958 17482 11620 1 20 . 1 1 44 44 VAL CB C 44 32.641 32.641 33.518 -0.877 17482 11621 1 20 . 1 1 44 44 VAL H H 44 7.650 7.650 7.144 0.506 17482 11622 1 20 . 1 1 45 45 GLN N N 45 122.078 122.078 127.514 -5.436 17482 11623 1 20 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.781 -0.122 17482 11624 1 20 . 1 1 45 45 GLN CA C 45 53.664 53.664 51.909 1.755 17482 11625 1 20 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.181 1.148 17482 11626 1 20 . 1 1 45 45 GLN H H 45 8.154 8.154 8.533 -0.379 17482 11627 1 20 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.329 0.104 17482 11628 1 20 . 1 1 46 46 PRO C C 46 177.329 177.329 178.278 -0.949 17482 11629 1 20 . 1 1 46 46 PRO CA C 46 63.754 63.754 64.819 -1.065 17482 11630 1 20 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.334 -0.103 17482 11631 1 20 . 1 1 47 47 GLU N N 47 119.456 119.456 119.450 0.006 17482 11632 1 20 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.008 0.203 17482 11633 1 20 . 1 1 47 47 GLU C C 47 176.484 176.484 175.717 0.767 17482 11634 1 20 . 1 1 47 47 GLU CA C 47 57.468 57.468 58.911 -1.443 17482 11635 1 20 . 1 1 47 47 GLU CB C 47 30.329 30.329 30.158 0.171 17482 11636 1 20 . 1 1 47 47 GLU H H 47 8.491 8.491 8.649 -0.158 17482 11637 1 20 . 1 1 48 48 ASP N N 48 119.108 119.108 113.480 5.628 17482 11638 1 20 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.725 -0.140 17482 11639 1 20 . 1 1 48 48 ASP C C 48 175.863 175.863 174.870 0.993 17482 11640 1 20 . 1 1 48 48 ASP CA C 48 54.579 54.579 54.625 -0.046 17482 11641 1 20 . 1 1 48 48 ASP CB C 48 41.131 41.131 40.539 0.592 17482 11642 1 20 . 1 1 48 48 ASP H H 48 8.137 8.137 7.799 0.338 17482 11643 1 20 . 1 1 49 49 ASN N N 49 117.714 117.714 120.324 -2.610 17482 11644 1 20 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.646 0.019 17482 11645 1 20 . 1 1 49 49 ASN C C 49 174.975 174.975 174.614 0.361 17482 11646 1 20 . 1 1 49 49 ASN CA C 49 53.728 53.728 54.056 -0.328 17482 11647 1 20 . 1 1 49 49 ASN CB C 49 39.131 39.131 39.291 -0.160 17482 11648 1 20 . 1 1 49 49 ASN H H 49 8.173 8.173 8.820 -0.647 17482 11649 1 20 . 1 1 50 50 LYS N N 50 120.215 120.215 119.005 1.210 17482 11650 1 20 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.608 -0.300 17482 11651 1 20 . 1 1 50 50 LYS C C 50 176.950 176.950 175.908 1.042 17482 11652 1 20 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.691 0.137 17482 11653 1 20 . 1 1 50 50 LYS CB C 50 33.031 33.031 33.845 -0.814 17482 11654 1 20 . 1 1 50 50 LYS H H 50 8.098 8.098 8.417 -0.319 17482 11655 1 20 . 1 1 51 51 GLY N N 51 109.286 109.286 109.553 -0.267 17482 11656 1 20 . 1 1 51 51 GLY C C 51 175.251 175.251 174.513 0.738 17482 11657 1 20 . 1 1 51 51 GLY CA C 51 45.913 45.913 44.383 1.530 17482 11658 1 20 . 1 1 51 51 GLY H H 51 8.295 8.295 7.741 0.554 17482 11659 1 20 . 1 1 52 52 VAL N N 52 119.528 119.528 122.747 -3.219 17482 11660 1 20 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.804 0.060 17482 11661 1 20 . 1 1 52 52 VAL C C 52 176.372 176.372 176.233 0.139 17482 11662 1 20 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.409 -0.063 17482 11663 1 20 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.680 0.550 17482 11664 1 20 . 1 1 52 52 VAL H H 52 7.940 7.940 8.536 -0.596 17482 11665 1 20 . 1 1 53 53 PHE N N 53 118.265 118.265 119.905 -1.640 17482 11666 1 20 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.736 -0.143 17482 11667 1 20 . 1 1 53 53 PHE C C 53 176.441 176.441 177.741 -1.300 17482 11668 1 20 . 1 1 53 53 PHE CA C 53 58.676 58.676 59.764 -1.088 17482 11669 1 20 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.853 -0.218 17482 11670 1 20 . 1 1 53 53 PHE H H 53 8.046 8.046 7.754 0.292 17482 11671 1 20 . 1 1 54 54 GLN N N 54 119.441 119.441 120.231 -0.790 17482 11672 1 20 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.173 -0.002 17482 11673 1 20 . 1 1 54 54 GLN C C 54 177.166 177.166 178.825 -1.659 17482 11674 1 20 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.246 -1.697 17482 11675 1 20 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.167 1.332 17482 11676 1 20 . 1 1 54 54 GLN H H 54 7.978 7.978 8.916 -0.938 17482 11677 1 20 . 1 1 55 55 GLY N N 55 107.822 107.822 108.420 -0.598 17482 11678 1 20 . 1 1 55 55 GLY C C 55 175.294 175.294 175.617 -0.323 17482 11679 1 20 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.841 -0.653 17482 11680 1 20 . 1 1 55 55 GLY H H 55 8.120 8.120 8.062 0.058 17482 11681 1 20 . 1 1 56 56 VAL N N 56 119.174 119.174 121.049 -1.875 17482 11682 1 20 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.765 0.207 17482 11683 1 20 . 1 1 56 56 VAL C C 56 176.527 176.527 176.354 0.173 17482 11684 1 20 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.309 -1.305 17482 11685 1 20 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.728 0.464 17482 11686 1 20 . 1 1 56 56 VAL H H 56 7.774 7.774 7.806 -0.032 17482 11687 1 20 . 1 1 57 57 HIS N N 57 119.221 119.221 117.701 1.520 17482 11688 1 20 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.664 -0.122 17482 11689 1 20 . 1 1 57 57 HIS CA C 57 56.973 56.973 58.282 -1.309 17482 11690 1 20 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.978 -1.370 17482 11691 1 20 . 1 1 57 57 HIS H H 57 8.201 8.201 8.216 -0.015 17482 11692 1 20 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.196 0.384 17482 11693 1 20 . 1 1 58 58 ASP C C 58 177.097 177.097 177.946 -0.849 17482 11694 1 20 . 1 1 58 58 ASP CA C 58 55.021 55.021 57.175 -2.154 17482 11695 1 20 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.567 0.669 17482 11696 1 20 . 1 1 59 59 SER N N 59 116.347 116.347 115.046 1.301 17482 11697 1 20 . 1 1 59 59 SER HA H 59 4.372 4.372 3.978 0.394 17482 11698 1 20 . 1 1 59 59 SER C C 59 175.087 175.087 175.605 -0.518 17482 11699 1 20 . 1 1 59 59 SER CA C 59 59.207 59.207 61.838 -2.631 17482 11700 1 20 . 1 1 59 59 SER CB C 59 63.780 63.780 63.288 0.492 17482 11701 1 20 . 1 1 59 59 SER H H 59 8.134 8.134 8.325 -0.191 17482 11702 1 20 . 1 1 60 60 ALA N N 60 125.097 125.097 121.307 3.790 17482 11703 1 20 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.225 0.028 17482 11704 1 20 . 1 1 60 60 ALA C C 60 178.192 178.192 178.324 -0.132 17482 11705 1 20 . 1 1 60 60 ALA CA C 60 53.561 53.561 53.786 -0.225 17482 11706 1 20 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.472 0.606 17482 11707 1 20 . 1 1 60 60 ALA H H 60 8.203 8.203 7.672 0.531 17482 11708 1 20 . 1 1 61 61 GLU N N 61 118.432 118.432 118.621 -0.189 17482 11709 1 20 . 1 1 61 61 GLU HA H 61 4.200 4.200 3.996 0.204 17482 11710 1 20 . 1 1 61 61 GLU C C 61 177.036 177.036 178.117 -1.081 17482 11711 1 20 . 1 1 61 61 GLU CA C 61 57.224 57.224 58.871 -1.647 17482 11712 1 20 . 1 1 61 61 GLU CB C 61 30.228 30.228 29.753 0.475 17482 11713 1 20 . 1 1 61 61 GLU H H 61 8.095 8.095 7.620 0.475 17482 11714 1 20 . 1 1 62 62 LYS N N 62 120.770 120.770 115.559 5.211 17482 11715 1 20 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.443 -0.146 17482 11716 1 20 . 1 1 62 62 LYS C C 62 177.450 177.450 176.889 0.561 17482 11717 1 20 . 1 1 62 62 LYS CA C 62 56.826 56.826 56.126 0.700 17482 11718 1 20 . 1 1 62 62 LYS CB C 62 32.943 32.943 34.682 -1.739 17482 11719 1 20 . 1 1 62 62 LYS H H 62 7.969 7.969 7.555 0.414 17482 11720 1 20 . 1 1 63 63 GLY N N 63 108.912 108.912 109.483 -0.571 17482 11721 1 20 . 1 1 63 63 GLY C C 63 174.432 174.432 174.555 -0.123 17482 11722 1 20 . 1 1 63 63 GLY CA C 63 45.751 45.751 45.570 0.181 17482 11723 1 20 . 1 1 63 63 GLY H H 63 8.287 8.287 8.251 0.036 17482 11724 1 20 . 1 1 64 64 LYS N N 64 120.529 120.529 119.288 1.241 17482 11725 1 20 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.131 0.167 17482 11726 1 20 . 1 1 64 64 LYS C C 64 176.622 176.622 176.047 0.575 17482 11727 1 20 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.983 -0.252 17482 11728 1 20 . 1 1 64 64 LYS CB C 64 33.117 33.117 32.705 0.412 17482 11729 1 20 . 1 1 64 64 LYS H H 64 8.019 8.019 8.259 -0.240 17482 11730 1 20 . 1 1 65 65 ASP N N 65 120.673 120.673 119.883 0.790 17482 11731 1 20 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.592 -0.012 17482 11732 1 20 . 1 1 65 65 ASP C C 65 176.226 176.226 176.078 0.148 17482 11733 1 20 . 1 1 65 65 ASP CA C 65 54.783 54.783 55.370 -0.587 17482 11734 1 20 . 1 1 65 65 ASP CB C 65 41.172 41.172 40.661 0.511 17482 11735 1 20 . 1 1 65 65 ASP H H 65 8.296 8.296 8.029 0.267 17482 11736 1 20 . 1 1 66 66 ASN N N 66 118.902 118.902 122.908 -4.006 17482 11737 1 20 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.681 0.009 17482 11738 1 20 . 1 1 66 66 ASN C C 66 175.217 175.217 175.286 -0.069 17482 11739 1 20 . 1 1 66 66 ASN CA C 66 53.475 53.475 53.471 0.004 17482 11740 1 20 . 1 1 66 66 ASN CB C 66 39.117 39.117 39.436 -0.319 17482 11741 1 20 . 1 1 66 66 ASN H H 66 8.212 8.212 8.204 0.008 17482 11742 1 20 . 1 1 67 67 ALA N N 67 124.149 124.149 121.849 2.300 17482 11743 1 20 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.267 0.033 17482 11744 1 20 . 1 1 67 67 ALA C C 67 177.890 177.890 176.928 0.962 17482 11745 1 20 . 1 1 67 67 ALA CA C 67 53.053 53.053 53.319 -0.266 17482 11746 1 20 . 1 1 67 67 ALA CB C 67 19.427 19.427 18.989 0.438 17482 11747 1 20 . 1 1 67 67 ALA H H 67 8.212 8.212 8.065 0.147 17482 11748 1 20 . 1 1 68 68 GLU N N 68 119.216 119.216 122.406 -3.190 17482 11749 1 20 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.288 -0.017 17482 11750 1 20 . 1 1 68 68 GLU C C 68 177.243 177.243 176.829 0.414 17482 11751 1 20 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.432 0.365 17482 11752 1 20 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.238 -0.079 17482 11753 1 20 . 1 1 68 68 GLU H H 68 8.286 8.286 8.562 -0.276 17482 11754 1 20 . 1 1 69 69 GLY N N 69 109.637 109.637 108.987 0.650 17482 11755 1 20 . 1 1 69 69 GLY C C 69 174.371 174.371 173.150 1.221 17482 11756 1 20 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.868 -0.235 17482 11757 1 20 . 1 1 69 69 GLY H H 69 8.293 8.293 8.081 0.212 17482 11758 1 20 . 1 1 70 70 GLN N N 70 119.629 119.629 119.934 -0.305 17482 11759 1 20 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.160 0.233 17482 11760 1 20 . 1 1 70 70 GLN C C 70 176.502 176.502 175.932 0.570 17482 11761 1 20 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.581 0.465 17482 11762 1 20 . 1 1 70 70 GLN CB C 70 29.627 29.627 29.198 0.429 17482 11763 1 20 . 1 1 70 70 GLN H H 70 8.201 8.201 8.264 -0.063 17482 11764 1 20 . 1 1 71 71 GLY N N 71 109.977 109.977 111.511 -1.534 17482 11765 1 20 . 1 1 71 71 GLY C C 71 173.992 173.992 174.318 -0.326 17482 11766 1 20 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.679 0.954 17482 11767 1 20 . 1 1 71 71 GLY H H 71 8.424 8.424 8.187 0.237 17482 11768 1 20 . 1 1 72 72 GLU N N 72 120.532 120.532 122.721 -2.189 17482 11769 1 20 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.226 0.185 17482 11770 1 20 . 1 1 72 72 GLU C C 72 176.639 176.639 176.624 0.015 17482 11771 1 20 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.714 -0.096 17482 11772 1 20 . 1 1 72 72 GLU CB C 72 30.731 30.731 29.777 0.954 17482 11773 1 20 . 1 1 72 72 GLU H H 72 8.244 8.244 8.539 -0.295 17482 11774 1 20 . 1 1 73 73 SER N N 73 117.827 117.827 122.234 -4.407 17482 11775 1 20 . 1 1 73 73 SER HA H 73 4.589 4.589 4.470 0.119 17482 11776 1 20 . 1 1 73 73 SER C C 73 175.475 175.475 175.644 -0.169 17482 11777 1 20 . 1 1 73 73 SER CA C 73 58.064 58.064 58.229 -0.165 17482 11778 1 20 . 1 1 73 73 SER CB C 73 64.761 64.761 63.213 1.548 17482 11779 1 20 . 1 1 73 73 SER H H 73 8.689 8.689 8.795 -0.106 17482 11780 1 20 . 1 1 74 74 LEU N N 74 124.414 124.414 129.244 -4.830 17482 11781 1 20 . 1 1 74 74 LEU HA H 74 4.201 4.201 3.996 0.205 17482 11782 1 20 . 1 1 74 74 LEU C C 74 178.735 178.735 177.684 1.051 17482 11783 1 20 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.378 0.517 17482 11784 1 20 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.862 0.072 17482 11785 1 20 . 1 1 74 74 LEU H H 74 8.514 8.514 8.474 0.040 17482 11786 1 20 . 1 1 75 75 ALA N N 75 120.291 120.291 119.921 0.370 17482 11787 1 20 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.977 0.013 17482 11788 1 20 . 1 1 75 75 ALA C C 75 179.046 179.046 180.064 -1.018 17482 11789 1 20 . 1 1 75 75 ALA CA C 75 55.267 55.267 54.973 0.294 17482 11790 1 20 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.681 0.913 17482 11791 1 20 . 1 1 75 75 ALA H H 75 8.160 8.160 8.278 -0.118 17482 11792 1 20 . 1 1 76 76 ASP N N 76 117.288 117.288 117.119 0.169 17482 11793 1 20 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.534 -0.128 17482 11794 1 20 . 1 1 76 76 ASP C C 76 178.476 178.476 178.682 -0.206 17482 11795 1 20 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.913 0.220 17482 11796 1 20 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.119 -0.467 17482 11797 1 20 . 1 1 76 76 ASP H H 76 7.773 7.773 8.195 -0.422 17482 11798 1 20 . 1 1 77 77 GLN N N 77 119.454 119.454 119.175 0.279 17482 11799 1 20 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.221 -0.059 17482 11800 1 20 . 1 1 77 77 GLN C C 77 178.037 178.037 178.135 -0.098 17482 11801 1 20 . 1 1 77 77 GLN CA C 77 58.381 58.381 57.810 0.570 17482 11802 1 20 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.286 1.194 17482 11803 1 20 . 1 1 77 77 GLN H H 77 7.994 7.994 7.746 0.248 17482 11804 1 20 . 1 1 78 78 ALA N N 78 121.577 121.577 123.484 -1.907 17482 11805 1 20 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.184 -0.035 17482 11806 1 20 . 1 1 78 78 ALA C C 78 178.977 178.977 179.531 -0.554 17482 11807 1 20 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.191 -0.061 17482 11808 1 20 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.314 0.341 17482 11809 1 20 . 1 1 78 78 ALA H H 78 8.498 8.498 8.519 -0.021 17482 11810 1 20 . 1 1 79 79 ARG N N 79 117.138 117.138 118.314 -1.176 17482 11811 1 20 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.008 0.004 17482 11812 1 20 . 1 1 79 79 ARG C C 79 175.449 175.449 178.778 -3.329 17482 11813 1 20 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.469 0.034 17482 11814 1 20 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.951 0.195 17482 11815 1 20 . 1 1 79 79 ARG H H 79 8.101 8.101 7.819 0.282 17482 11816 1 20 . 1 1 80 80 ASP N N 80 120.784 120.784 119.549 1.235 17482 11817 1 20 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.502 0.011 17482 11818 1 20 . 1 1 80 80 ASP C C 80 178.882 178.882 178.457 0.425 17482 11819 1 20 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.679 -0.803 17482 11820 1 20 . 1 1 80 80 ASP CB C 80 40.328 40.328 41.033 -0.705 17482 11821 1 20 . 1 1 80 80 ASP H H 80 8.000 8.000 7.721 0.279 17482 11822 1 20 . 1 1 81 81 TYR N N 81 120.298 120.298 120.886 -0.588 17482 11823 1 20 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.296 0.135 17482 11824 1 20 . 1 1 81 81 TYR C C 81 177.855 177.855 177.547 0.308 17482 11825 1 20 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.399 0.435 17482 11826 1 20 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.697 -0.219 17482 11827 1 20 . 1 1 81 81 TYR H H 81 8.127 8.127 7.641 0.486 17482 11828 1 20 . 1 1 82 82 MET N N 82 118.452 118.452 117.484 0.968 17482 11829 1 20 . 1 1 82 82 MET HA H 82 4.239 4.239 3.914 0.325 17482 11830 1 20 . 1 1 82 82 MET C C 82 178.175 178.175 178.765 -0.590 17482 11831 1 20 . 1 1 82 82 MET CA C 82 58.757 58.757 58.343 0.414 17482 11832 1 20 . 1 1 82 82 MET CB C 82 32.631 32.631 31.962 0.669 17482 11833 1 20 . 1 1 82 82 MET H H 82 8.382 8.382 8.821 -0.439 17482 11834 1 20 . 1 1 83 83 GLY N N 83 106.740 106.740 105.438 1.302 17482 11835 1 20 . 1 1 83 83 GLY C C 83 176.717 176.717 175.228 1.489 17482 11836 1 20 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.193 0.138 17482 11837 1 20 . 1 1 83 83 GLY H H 83 8.308 8.308 7.988 0.320 17482 11838 1 20 . 1 1 84 84 ALA N N 84 125.357 125.357 122.993 2.364 17482 11839 1 20 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.296 -0.009 17482 11840 1 20 . 1 1 84 84 ALA C C 84 180.149 180.149 179.118 1.031 17482 11841 1 20 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.135 0.513 17482 11842 1 20 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.410 0.131 17482 11843 1 20 . 1 1 84 84 ALA H H 84 7.905 7.905 7.552 0.353 17482 11844 1 20 . 1 1 85 85 ALA N N 85 121.332 121.332 121.465 -0.133 17482 11845 1 20 . 1 1 85 85 ALA HA H 85 4.025 4.025 4.014 0.011 17482 11846 1 20 . 1 1 85 85 ALA C C 85 178.847 178.847 179.575 -0.728 17482 11847 1 20 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.736 0.547 17482 11848 1 20 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.275 0.212 17482 11849 1 20 . 1 1 85 85 ALA H H 85 8.341 8.341 7.754 0.587 17482 11850 1 20 . 1 1 86 86 LYS N N 86 116.980 116.980 119.747 -2.767 17482 11851 1 20 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.902 -0.030 17482 11852 1 20 . 1 1 86 86 LYS C C 86 178.485 178.485 178.779 -0.294 17482 11853 1 20 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.909 0.284 17482 11854 1 20 . 1 1 86 86 LYS CB C 86 32.331 32.331 32.180 0.151 17482 11855 1 20 . 1 1 86 86 LYS H H 86 8.360 8.360 7.798 0.562 17482 11856 1 20 . 1 1 87 87 SER N N 87 113.632 113.632 114.206 -0.574 17482 11857 1 20 . 1 1 87 87 SER HA H 87 4.299 4.299 4.067 0.232 17482 11858 1 20 . 1 1 87 87 SER C C 87 176.467 176.467 176.448 0.019 17482 11859 1 20 . 1 1 87 87 SER CA C 87 61.614 61.614 61.410 0.203 17482 11860 1 20 . 1 1 87 87 SER CB C 87 63.064 63.064 62.927 0.137 17482 11861 1 20 . 1 1 87 87 SER H H 87 7.863 7.863 7.632 0.231 17482 11862 1 20 . 1 1 88 88 LYS N N 88 120.925 120.925 121.356 -0.431 17482 11863 1 20 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.042 0.303 17482 11864 1 20 . 1 1 88 88 LYS C C 88 178.502 178.502 178.949 -0.447 17482 11865 1 20 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.512 -0.816 17482 11866 1 20 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.152 -0.141 17482 11867 1 20 . 1 1 88 88 LYS H H 88 7.843 7.843 7.475 0.368 17482 11868 1 20 . 1 1 89 89 LEU N N 89 119.955 119.955 121.768 -1.813 17482 11869 1 20 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.914 0.191 17482 11870 1 20 . 1 1 89 89 LEU C C 89 178.209 178.209 178.458 -0.249 17482 11871 1 20 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.912 0.285 17482 11872 1 20 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.547 0.084 17482 11873 1 20 . 1 1 89 89 LEU H H 89 8.174 8.174 8.431 -0.257 17482 11874 1 20 . 1 1 90 90 ASN N N 90 117.013 117.013 116.387 0.626 17482 11875 1 20 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.356 0.037 17482 11876 1 20 . 1 1 90 90 ASN C C 90 174.164 174.164 177.741 -3.577 17482 11877 1 20 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.832 0.334 17482 11878 1 20 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.170 0.782 17482 11879 1 20 . 1 1 90 90 ASN H H 90 8.223 8.223 8.226 -0.003 17482 11880 1 20 . 1 1 91 91 ASP N N 91 119.959 119.959 119.225 0.734 17482 11881 1 20 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.414 0.043 17482 11882 1 20 . 1 1 91 91 ASP C C 91 178.804 178.804 177.429 1.375 17482 11883 1 20 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.202 0.236 17482 11884 1 20 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.885 -0.706 17482 11885 1 20 . 1 1 91 91 ASP H H 91 8.043 8.043 7.475 0.568 17482 11886 1 20 . 1 1 92 92 ALA N N 92 123.900 123.900 122.388 1.512 17482 11887 1 20 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.250 -0.047 17482 11888 1 20 . 1 1 92 92 ALA C C 92 178.951 178.951 179.502 -0.551 17482 11889 1 20 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.983 0.553 17482 11890 1 20 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.681 -0.177 17482 11891 1 20 . 1 1 92 92 ALA H H 92 8.256 8.256 7.579 0.677 17482 11892 1 20 . 1 1 93 93 VAL N N 93 118.228 118.228 119.850 -1.622 17482 11893 1 20 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.477 0.117 17482 11894 1 20 . 1 1 93 93 VAL C C 93 178.761 178.761 177.972 0.789 17482 11895 1 20 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.672 -0.515 17482 11896 1 20 . 1 1 93 93 VAL CB C 93 31.795 31.795 31.130 0.665 17482 11897 1 20 . 1 1 93 93 VAL H H 93 8.449 8.449 8.589 -0.140 17482 11898 1 20 . 1 1 94 94 GLU N N 94 120.485 120.485 119.347 1.138 17482 11899 1 20 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.936 0.109 17482 11900 1 20 . 1 1 94 94 GLU C C 94 179.347 179.347 179.322 0.025 17482 11901 1 20 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.032 -0.402 17482 11902 1 20 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.621 -0.090 17482 11903 1 20 . 1 1 94 94 GLU H H 94 8.175 8.175 7.860 0.315 17482 11904 1 20 . 1 1 95 95 TYR N N 95 120.806 120.806 119.715 1.091 17482 11905 1 20 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.284 -0.056 17482 11906 1 20 . 1 1 95 95 TYR C C 95 178.407 178.407 177.599 0.808 17482 11907 1 20 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.184 0.376 17482 11908 1 20 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.602 0.029 17482 11909 1 20 . 1 1 95 95 TYR H H 95 8.197 8.197 7.369 0.828 17482 11910 1 20 . 1 1 96 96 VAL N N 96 118.584 118.584 119.508 -0.924 17482 11911 1 20 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.624 -0.141 17482 11912 1 20 . 1 1 96 96 VAL C C 96 177.752 177.752 178.092 -0.340 17482 11913 1 20 . 1 1 96 96 VAL CA C 96 66.680 66.680 66.172 0.508 17482 11914 1 20 . 1 1 96 96 VAL CB C 96 32.022 32.022 30.774 1.248 17482 11915 1 20 . 1 1 96 96 VAL H H 96 8.525 8.525 8.492 0.033 17482 11916 1 20 . 1 1 97 97 SER N N 97 114.566 114.566 115.048 -0.482 17482 11917 1 20 . 1 1 97 97 SER HA H 97 4.080 4.080 3.976 0.104 17482 11918 1 20 . 1 1 97 97 SER C C 97 176.803 176.803 176.935 -0.132 17482 11919 1 20 . 1 1 97 97 SER CA C 97 61.800 61.800 61.748 0.052 17482 11920 1 20 . 1 1 97 97 SER CB C 97 63.258 63.258 62.678 0.580 17482 11921 1 20 . 1 1 97 97 SER H H 97 8.642 8.642 8.829 -0.187 17482 11922 1 20 . 1 1 98 98 GLY N N 98 107.586 107.586 107.155 0.431 17482 11923 1 20 . 1 1 98 98 GLY C C 98 175.553 175.553 175.064 0.489 17482 11924 1 20 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.913 0.644 17482 11925 1 20 . 1 1 98 98 GLY H H 98 7.926 7.926 7.689 0.237 17482 11926 1 20 . 1 1 99 99 ARG N N 99 119.948 119.948 119.769 0.179 17482 11927 1 20 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.221 -0.018 17482 11928 1 20 . 1 1 99 99 ARG C C 99 177.830 177.830 178.078 -0.248 17482 11929 1 20 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.444 -0.315 17482 11930 1 20 . 1 1 99 99 ARG CB C 99 30.212 30.212 31.011 -0.799 17482 11931 1 20 . 1 1 99 99 ARG H H 99 7.611 7.611 7.402 0.209 17482 11932 1 20 . 1 1 100 100 VAL N N 100 116.709 116.709 116.709 0.000 17482 11933 1 20 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.727 0.213 17482 11934 1 20 . 1 1 100 100 VAL C C 100 176.381 176.381 176.544 -0.163 17482 11935 1 20 . 1 1 100 100 VAL CA C 100 63.931 63.931 64.805 -0.874 17482 11936 1 20 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.528 0.803 17482 11937 1 20 . 1 1 100 100 VAL H H 100 7.906 7.906 8.199 -0.293 17482 11938 1 20 . 1 1 101 101 HIS N N 101 117.584 117.584 118.278 -0.694 17482 11939 1 20 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.203 0.572 17482 11940 1 20 . 1 1 101 101 HIS C C 101 175.484 175.484 175.576 -0.092 17482 11941 1 20 . 1 1 101 101 HIS CA C 101 55.862 55.862 57.520 -1.657 17482 11942 1 20 . 1 1 101 101 HIS CB C 101 29.517 29.517 29.735 -0.218 17482 11943 1 20 . 1 1 101 101 HIS H H 101 8.061 8.061 7.233 0.828 17482 11944 1 20 . 1 1 102 102 GLY N N 102 109.164 109.164 113.048 -3.884 17482 11945 1 20 . 1 1 102 102 GLY C C 102 174.121 174.121 174.313 -0.192 17482 11946 1 20 . 1 1 102 102 GLY CA C 102 45.719 45.719 44.918 0.801 17482 11947 1 20 . 1 1 102 102 GLY H H 102 7.990 7.990 8.893 -0.903 17482 11948 1 20 . 1 1 103 103 GLU N N 103 120.493 120.493 121.038 -0.545 17482 11949 1 20 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.571 -0.256 17482 11950 1 20 . 1 1 103 103 GLU C C 103 176.467 176.467 175.416 1.051 17482 11951 1 20 . 1 1 103 103 GLU CA C 103 56.451 56.451 56.527 -0.076 17482 11952 1 20 . 1 1 103 103 GLU CB C 103 30.731 30.731 30.914 -0.183 17482 11953 1 20 . 1 1 103 103 GLU H H 103 8.320 8.320 8.196 0.124 17482 11954 1 20 . 1 1 104 104 GLU N N 104 122.018 122.018 122.106 -0.088 17482 11955 1 20 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.193 0.070 17482 11956 1 20 . 1 1 104 104 GLU C C 104 175.820 175.820 176.427 -0.607 17482 11957 1 20 . 1 1 104 104 GLU CA C 104 56.480 56.480 56.908 -0.428 17482 11958 1 20 . 1 1 104 104 GLU CB C 104 30.654 30.654 30.399 0.255 17482 11959 1 20 . 1 1 104 104 GLU H H 104 8.358 8.358 8.330 0.028 17482 11960 1 20 . 1 1 105 105 ASP N N 105 122.625 122.625 122.862 -0.237 17482 11961 1 20 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.700 0.198 17482 11962 1 20 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.253 -1.525 17482 11963 1 20 . 1 1 105 105 ASP CB C 105 41.614 41.614 40.896 0.718 17482 11964 1 20 . 1 1 105 105 ASP H H 105 8.350 8.350 8.448 -0.098 17482 11965 1 20 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.640 -0.174 17482 11966 1 20 . 1 1 106 106 PRO C C 106 177.605 177.605 175.499 2.106 17482 11967 1 20 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.083 0.838 17482 11968 1 20 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.341 -0.045 17482 11969 1 20 . 1 1 107 107 THR N N 107 111.954 111.954 112.268 -0.314 17482 11970 1 20 . 1 1 107 107 THR HA H 107 4.281 4.281 4.827 -0.546 17482 11971 1 20 . 1 1 107 107 THR C C 107 174.889 174.889 173.429 1.460 17482 11972 1 20 . 1 1 107 107 THR CA C 107 62.896 62.896 61.405 1.491 17482 11973 1 20 . 1 1 107 107 THR CB C 107 69.593 69.593 70.452 -0.859 17482 11974 1 20 . 1 1 107 107 THR H H 107 8.355 8.355 8.413 -0.058 17482 11975 1 20 . 1 1 108 108 LYS N N 108 123.177 123.177 120.422 2.755 17482 11976 1 20 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.997 -0.642 17482 11977 1 20 . 1 1 108 108 LYS C C 108 175.406 175.406 175.907 -0.501 17482 11978 1 20 . 1 1 108 108 LYS CA C 108 56.252 56.252 55.145 1.107 17482 11979 1 20 . 1 1 108 108 LYS CB C 108 32.964 32.964 34.281 -1.317 17482 11980 1 20 . 1 1 108 108 LYS H H 108 7.739 7.739 8.643 -0.904 17482 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 101 1.752 0.418 1.710 17482 2 1 1 "Average Difference" HA 120 0.181 -0.036 0.178 17482 3 1 1 "Average Difference" C 102 1.122 0.061 1.126 17482 4 1 1 "Average Difference" CA 107 0.829 0.126 0.823 17482 5 1 1 "Average Difference" CB 94 0.727 -0.200 0.702 17482 6 1 1 "Average Difference" HN 101 0.380 -0.058 0.377 17482 7 1 2 "Average Difference" N 101 1.882 0.293 1.868 17482 8 1 2 "Average Difference" HA 120 0.196 -0.029 0.195 17482 9 1 2 "Average Difference" C 102 1.087 0.002 1.093 17482 10 1 2 "Average Difference" CA 107 0.995 -0.070 0.997 17482 11 1 2 "Average Difference" CB 94 0.906 -0.032 0.911 17482 12 1 2 "Average Difference" HN 101 0.377 -0.029 0.378 17482 13 1 3 "Average Difference" N 101 1.634 0.359 1.602 17482 14 1 3 "Average Difference" HA 120 0.207 -0.091 0.187 17482 15 1 3 "Average Difference" C 102 1.064 0.000 1.069 17482 16 1 3 "Average Difference" CA 107 0.831 0.079 0.831 17482 17 1 3 "Average Difference" CB 94 0.736 -0.162 0.722 17482 18 1 3 "Average Difference" HN 101 0.364 -0.045 0.363 17482 19 1 4 "Average Difference" N 101 2.035 0.544 1.971 17482 20 1 4 "Average Difference" HA 120 0.186 -0.060 0.177 17482 21 1 4 "Average Difference" C 102 1.187 0.005 1.192 17482 22 1 4 "Average Difference" CA 107 0.928 0.061 0.931 17482 23 1 4 "Average Difference" CB 94 0.629 -0.163 0.610 17482 24 1 4 "Average Difference" HN 101 0.353 -0.051 0.351 17482 25 1 5 "Average Difference" N 101 1.866 0.112 1.872 17482 26 1 5 "Average Difference" HA 120 0.191 -0.072 0.178 17482 27 1 5 "Average Difference" C 102 1.040 0.099 1.040 17482 28 1 5 "Average Difference" CA 107 0.857 0.086 0.857 17482 29 1 5 "Average Difference" CB 94 0.831 -0.160 0.820 17482 30 1 5 "Average Difference" HN 101 0.355 -0.056 0.352 17482 31 1 6 "Average Difference" N 101 1.515 0.072 1.521 17482 32 1 6 "Average Difference" HA 120 0.229 -0.029 0.228 17482 33 1 6 "Average Difference" C 102 1.016 0.028 1.021 17482 34 1 6 "Average Difference" CA 107 0.912 0.010 0.916 17482 35 1 6 "Average Difference" CB 94 0.846 -0.085 0.846 17482 36 1 6 "Average Difference" HN 101 0.371 0.010 0.372 17482 37 1 7 "Average Difference" N 101 1.624 0.356 1.592 17482 38 1 7 "Average Difference" HA 120 0.208 -0.081 0.192 17482 39 1 7 "Average Difference" C 102 1.065 0.077 1.067 17482 40 1 7 "Average Difference" CA 107 0.876 0.124 0.871 17482 41 1 7 "Average Difference" CB 94 0.720 -0.241 0.682 17482 42 1 7 "Average Difference" HN 101 0.358 -0.050 0.357 17482 43 1 8 "Average Difference" N 101 1.683 -0.075 1.689 17482 44 1 8 "Average Difference" HA 120 0.231 -0.003 0.232 17482 45 1 8 "Average Difference" C 102 1.184 -0.123 1.183 17482 46 1 8 "Average Difference" CA 107 0.927 -0.060 0.929 17482 47 1 8 "Average Difference" CB 94 0.742 -0.087 0.741 17482 48 1 8 "Average Difference" HN 101 0.393 -0.056 0.391 17482 49 1 9 "Average Difference" N 101 1.702 0.202 1.699 17482 50 1 9 "Average Difference" HA 120 0.238 -0.051 0.233 17482 51 1 9 "Average Difference" C 102 1.097 0.060 1.101 17482 52 1 9 "Average Difference" CA 107 0.934 0.036 0.938 17482 53 1 9 "Average Difference" CB 94 0.716 -0.167 0.700 17482 54 1 9 "Average Difference" HN 101 0.356 -0.023 0.357 17482 55 1 10 "Average Difference" N 101 1.714 0.221 1.708 17482 56 1 10 "Average Difference" HA 120 0.191 -0.088 0.171 17482 57 1 10 "Average Difference" C 102 1.022 0.151 1.015 17482 58 1 10 "Average Difference" CA 107 0.920 0.142 0.913 17482 59 1 10 "Average Difference" CB 94 0.744 -0.267 0.699 17482 60 1 10 "Average Difference" HN 101 0.358 -0.012 0.359 17482 61 1 11 "Average Difference" N 101 1.951 0.128 1.956 17482 62 1 11 "Average Difference" HA 120 0.196 -0.061 0.188 17482 63 1 11 "Average Difference" C 102 1.103 0.107 1.103 17482 64 1 11 "Average Difference" CA 107 1.003 0.162 0.994 17482 65 1 11 "Average Difference" CB 94 0.731 -0.200 0.707 17482 66 1 11 "Average Difference" HN 101 0.360 -0.041 0.360 17482 67 1 12 "Average Difference" N 101 1.609 0.212 1.603 17482 68 1 12 "Average Difference" HA 120 0.200 -0.044 0.196 17482 69 1 12 "Average Difference" C 102 1.119 -0.041 1.124 17482 70 1 12 "Average Difference" CA 107 0.846 0.081 0.846 17482 71 1 12 "Average Difference" CB 94 0.725 -0.129 0.717 17482 72 1 12 "Average Difference" HN 101 0.394 -0.027 0.395 17482 73 1 13 "Average Difference" N 101 1.804 0.256 1.794 17482 74 1 13 "Average Difference" HA 120 0.222 -0.058 0.215 17482 75 1 13 "Average Difference" C 102 1.076 0.045 1.081 17482 76 1 13 "Average Difference" CA 107 0.845 0.077 0.845 17482 77 1 13 "Average Difference" CB 94 0.675 -0.165 0.658 17482 78 1 13 "Average Difference" HN 101 0.370 -0.044 0.369 17482 79 1 14 "Average Difference" N 101 2.046 0.246 2.042 17482 80 1 14 "Average Difference" HA 120 0.195 -0.055 0.188 17482 81 1 14 "Average Difference" C 102 1.028 0.118 1.026 17482 82 1 14 "Average Difference" CA 107 0.991 0.124 0.987 17482 83 1 14 "Average Difference" CB 94 0.804 -0.212 0.779 17482 84 1 14 "Average Difference" HN 101 0.360 -0.050 0.359 17482 85 1 15 "Average Difference" N 101 1.588 -0.030 1.596 17482 86 1 15 "Average Difference" HA 120 0.211 -0.089 0.192 17482 87 1 15 "Average Difference" C 102 1.002 0.070 1.004 17482 88 1 15 "Average Difference" CA 107 0.910 0.101 0.908 17482 89 1 15 "Average Difference" CB 94 0.739 -0.214 0.711 17482 90 1 15 "Average Difference" HN 101 0.371 -0.044 0.370 17482 91 1 16 "Average Difference" N 101 2.046 0.091 2.054 17482 92 1 16 "Average Difference" HA 120 0.201 -0.080 0.185 17482 93 1 16 "Average Difference" C 102 1.172 -0.047 1.176 17482 94 1 16 "Average Difference" CA 107 1.010 0.101 1.010 17482 95 1 16 "Average Difference" CB 94 0.951 -0.053 0.955 17482 96 1 16 "Average Difference" HN 101 0.382 -0.085 0.375 17482 97 1 17 "Average Difference" N 101 1.778 0.055 1.786 17482 98 1 17 "Average Difference" HA 120 0.198 -0.069 0.186 17482 99 1 17 "Average Difference" C 102 1.067 0.088 1.068 17482 100 1 17 "Average Difference" CA 107 0.956 0.009 0.961 17482 101 1 17 "Average Difference" CB 94 0.766 -0.165 0.752 17482 102 1 17 "Average Difference" HN 101 0.383 -0.057 0.380 17482 103 1 18 "Average Difference" N 101 1.672 0.264 1.659 17482 104 1 18 "Average Difference" HA 120 0.230 -0.003 0.231 17482 105 1 18 "Average Difference" C 102 1.089 -0.019 1.095 17482 106 1 18 "Average Difference" CA 107 0.903 0.067 0.905 17482 107 1 18 "Average Difference" CB 94 0.853 -0.091 0.853 17482 108 1 18 "Average Difference" HN 101 0.384 -0.018 0.386 17482 109 1 19 "Average Difference" N 101 1.829 0.149 1.832 17482 110 1 19 "Average Difference" HA 120 0.205 -0.081 0.189 17482 111 1 19 "Average Difference" C 102 1.035 0.030 1.040 17482 112 1 19 "Average Difference" CA 107 0.865 0.041 0.868 17482 113 1 19 "Average Difference" CB 94 0.737 -0.189 0.716 17482 114 1 19 "Average Difference" HN 101 0.354 -0.040 0.354 17482 115 1 20 "Average Difference" N 101 1.992 0.194 1.992 17482 116 1 20 "Average Difference" HA 120 0.236 -0.053 0.231 17482 117 1 20 "Average Difference" C 102 1.042 0.045 1.046 17482 118 1 20 "Average Difference" CA 107 0.879 0.109 0.876 17482 119 1 20 "Average Difference" CB 94 0.690 -0.146 0.678 17482 120 1 20 "Average Difference" HN 101 0.405 -0.039 0.406 17482 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 17482 _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 SER HA H 2 4.546 4.546 4.807 -0.261 17482 2 1 . 1 1 2 2 SER CA C 2 58.499 58.499 57.964 0.535 17482 3 1 . 1 1 2 2 SER CB C 2 64.011 64.011 64.576 -0.565 17482 4 1 . 1 1 3 3 ASP HA H 3 4.602 4.602 4.911 -0.309 17482 5 1 . 1 1 3 3 ASP C C 3 176.010 176.010 174.767 1.243 17482 6 1 . 1 1 3 3 ASP CA C 3 54.736 54.736 54.087 0.649 17482 7 1 . 1 1 3 3 ASP CB C 3 41.269 41.269 41.755 -0.486 17482 8 1 . 1 1 4 4 ALA N N 4 123.253 123.253 123.200 0.053 17482 9 1 . 1 1 4 4 ALA HA H 4 4.326 4.326 4.580 -0.254 17482 10 1 . 1 1 4 4 ALA C C 4 178.097 178.097 176.899 1.198 17482 11 1 . 1 1 4 4 ALA CA C 4 52.847 52.847 52.162 0.685 17482 12 1 . 1 1 4 4 ALA CB C 4 19.323 19.323 20.089 -0.766 17482 13 1 . 1 1 4 4 ALA H H 4 8.095 8.095 8.338 -0.242 17482 14 1 . 1 1 5 5 GLY N N 5 107.651 107.651 107.462 0.189 17482 15 1 . 1 1 5 5 GLY C C 5 174.828 174.828 174.035 0.793 17482 16 1 . 1 1 5 5 GLY CA C 5 45.448 45.448 44.789 0.659 17482 17 1 . 1 1 5 5 GLY H H 5 8.167 8.167 8.457 -0.290 17482 18 1 . 1 1 6 6 ARG N N 6 120.230 120.230 120.386 -0.156 17482 19 1 . 1 1 6 6 ARG HA H 6 4.349 4.349 4.341 0.008 17482 20 1 . 1 1 6 6 ARG C C 6 176.562 176.562 175.545 1.017 17482 21 1 . 1 1 6 6 ARG CA C 6 56.399 56.399 56.319 0.080 17482 22 1 . 1 1 6 6 ARG CB C 6 30.831 30.831 31.112 -0.281 17482 23 1 . 1 1 6 6 ARG H H 6 8.060 8.060 8.381 -0.321 17482 24 1 . 1 1 7 7 LYS N N 7 121.076 121.076 118.772 2.304 17482 25 1 . 1 1 7 7 LYS HA H 7 4.257 4.257 4.292 -0.035 17482 26 1 . 1 1 7 7 LYS C C 7 177.010 177.010 177.308 -0.298 17482 27 1 . 1 1 7 7 LYS CA C 7 56.920 56.920 56.250 0.670 17482 28 1 . 1 1 7 7 LYS CB C 7 32.831 32.831 33.138 -0.307 17482 29 1 . 1 1 7 7 LYS H H 7 8.181 8.181 8.264 -0.083 17482 30 1 . 1 1 8 8 GLY N N 8 108.196 108.196 108.926 -0.730 17482 31 1 . 1 1 8 8 GLY C C 8 174.828 174.828 175.780 -0.952 17482 32 1 . 1 1 8 8 GLY CA C 8 45.829 45.829 46.637 -0.808 17482 33 1 . 1 1 8 8 GLY H H 8 8.141 8.141 8.645 -0.504 17482 34 1 . 1 1 9 9 PHE N N 9 120.374 120.374 122.676 -2.302 17482 35 1 . 1 1 9 9 PHE HA H 9 4.392 4.392 4.534 -0.142 17482 36 1 . 1 1 9 9 PHE C C 9 176.898 176.898 177.060 -0.162 17482 37 1 . 1 1 9 9 PHE CA C 9 59.980 59.980 58.776 1.204 17482 38 1 . 1 1 9 9 PHE CB C 9 39.553 39.553 39.161 0.392 17482 39 1 . 1 1 9 9 PHE H H 9 8.072 8.072 8.263 -0.191 17482 40 1 . 1 1 10 10 GLY N N 10 107.944 107.944 108.127 -0.183 17482 41 1 . 1 1 10 10 GLY C C 10 175.441 175.441 175.728 -0.287 17482 42 1 . 1 1 10 10 GLY CA C 10 46.822 46.822 47.437 -0.615 17482 43 1 . 1 1 10 10 GLY H H 10 8.431 8.431 8.288 0.143 17482 44 1 . 1 1 11 11 GLU N N 11 121.098 121.098 121.757 -0.659 17482 45 1 . 1 1 11 11 GLU HA H 11 4.100 4.100 3.994 0.106 17482 46 1 . 1 1 11 11 GLU C C 11 175.234 175.234 179.253 -4.019 17482 47 1 . 1 1 11 11 GLU CA C 11 58.971 58.971 59.825 -0.854 17482 48 1 . 1 1 11 11 GLU CB C 11 29.898 29.898 29.399 0.499 17482 49 1 . 1 1 11 11 GLU H H 11 8.003 8.003 8.328 -0.325 17482 50 1 . 1 1 12 12 LYS N N 12 119.103 119.103 118.502 0.601 17482 51 1 . 1 1 12 12 LYS HA H 12 4.144 4.144 4.005 0.139 17482 52 1 . 1 1 12 12 LYS C C 12 178.520 178.520 178.914 -0.394 17482 53 1 . 1 1 12 12 LYS CA C 12 58.337 58.337 58.647 -0.310 17482 54 1 . 1 1 12 12 LYS CB C 12 32.394 32.394 31.914 0.480 17482 55 1 . 1 1 12 12 LYS H H 12 7.930 7.930 7.475 0.455 17482 56 1 . 1 1 13 13 ALA N N 13 121.534 121.534 122.726 -1.192 17482 57 1 . 1 1 13 13 ALA HA H 13 4.011 4.011 3.980 0.031 17482 58 1 . 1 1 13 13 ALA C C 13 178.364 178.364 179.869 -1.505 17482 59 1 . 1 1 13 13 ALA CA C 13 54.728 54.728 55.248 -0.519 17482 60 1 . 1 1 13 13 ALA CB C 13 18.460 18.460 17.947 0.513 17482 61 1 . 1 1 13 13 ALA H H 13 8.216 8.216 8.467 -0.251 17482 62 1 . 1 1 14 14 SER N N 14 111.263 111.263 112.586 -1.323 17482 63 1 . 1 1 14 14 SER HA H 14 4.114 4.114 4.160 -0.046 17482 64 1 . 1 1 14 14 SER C C 14 176.148 176.148 176.928 -0.780 17482 65 1 . 1 1 14 14 SER CA C 14 61.159 61.159 61.791 -0.632 17482 66 1 . 1 1 14 14 SER CB C 14 63.250 63.250 62.995 0.255 17482 67 1 . 1 1 14 14 SER H H 14 8.000 8.000 8.153 -0.153 17482 68 1 . 1 1 15 15 GLU N N 15 119.902 119.902 120.469 -0.567 17482 69 1 . 1 1 15 15 GLU HA H 15 4.166 4.166 4.128 0.038 17482 70 1 . 1 1 15 15 GLU C C 15 177.493 177.493 177.790 -0.297 17482 71 1 . 1 1 15 15 GLU CA C 15 58.013 58.013 58.683 -0.670 17482 72 1 . 1 1 15 15 GLU CB C 15 29.941 29.941 29.624 0.317 17482 73 1 . 1 1 15 15 GLU H H 15 7.724 7.724 7.428 0.296 17482 74 1 . 1 1 16 16 ALA N N 16 120.687 120.687 121.926 -1.239 17482 75 1 . 1 1 16 16 ALA HA H 16 4.261 4.261 4.071 0.190 17482 76 1 . 1 1 16 16 ALA C C 16 177.933 177.933 179.323 -1.390 17482 77 1 . 1 1 16 16 ALA CA C 16 53.775 53.775 54.881 -1.106 17482 78 1 . 1 1 16 16 ALA CB C 16 19.544 19.544 19.071 0.473 17482 79 1 . 1 1 16 16 ALA H H 16 7.726 7.726 8.097 -0.371 17482 80 1 . 1 1 17 17 LEU N N 17 116.559 116.559 115.790 0.769 17482 81 1 . 1 1 17 17 LEU HA H 17 4.359 4.359 4.195 0.164 17482 82 1 . 1 1 17 17 LEU C C 17 176.277 176.277 177.618 -1.341 17482 83 1 . 1 1 17 17 LEU CA C 17 54.934 54.934 56.761 -1.827 17482 84 1 . 1 1 17 17 LEU CB C 17 42.564 42.564 41.670 0.894 17482 85 1 . 1 1 17 17 LEU H H 17 7.634 7.634 7.552 0.082 17482 86 1 . 1 1 18 18 LYS N N 18 120.269 120.269 119.812 0.457 17482 87 1 . 1 1 18 18 LYS HA H 18 4.567 4.567 4.317 0.250 17482 88 1 . 1 1 18 18 LYS CA C 18 54.489 54.489 55.512 -1.023 17482 89 1 . 1 1 18 18 LYS CB C 18 32.520 32.520 32.251 0.269 17482 90 1 . 1 1 18 18 LYS H H 18 7.761 7.761 7.555 0.206 17482 91 1 . 1 1 19 19 PRO HA H 19 4.443 4.443 4.417 0.026 17482 92 1 . 1 1 19 19 PRO C C 19 176.984 176.984 176.004 0.980 17482 93 1 . 1 1 19 19 PRO CA C 19 63.833 63.833 62.960 0.873 17482 94 1 . 1 1 19 19 PRO CB C 19 32.247 32.247 32.119 0.128 17482 95 1 . 1 1 20 20 ASP N N 20 119.103 119.103 117.940 1.163 17482 96 1 . 1 1 20 20 ASP HA H 20 4.602 4.602 4.626 -0.024 17482 97 1 . 1 1 20 20 ASP C C 20 176.639 176.639 175.777 0.862 17482 98 1 . 1 1 20 20 ASP CA C 20 54.497 54.497 54.174 0.323 17482 99 1 . 1 1 20 20 ASP CB C 20 41.231 41.231 41.550 -0.319 17482 100 1 . 1 1 20 20 ASP H H 20 8.383 8.383 8.288 0.095 17482 101 1 . 1 1 21 21 SER N N 21 115.970 115.970 115.159 0.811 17482 102 1 . 1 1 21 21 SER HA H 21 4.376 4.376 4.425 -0.049 17482 103 1 . 1 1 21 21 SER C C 21 174.889 174.889 174.231 0.658 17482 104 1 . 1 1 21 21 SER CA C 21 59.093 59.093 58.802 0.291 17482 105 1 . 1 1 21 21 SER CB C 21 63.860 63.860 63.687 0.173 17482 106 1 . 1 1 21 21 SER H H 21 8.054 8.054 8.273 -0.219 17482 107 1 . 1 1 22 22 GLN N N 22 120.766 120.766 120.769 -0.003 17482 108 1 . 1 1 22 22 GLN HA H 22 4.278 4.278 4.344 -0.066 17482 109 1 . 1 1 22 22 GLN C C 22 175.984 175.984 175.304 0.680 17482 110 1 . 1 1 22 22 GLN CA C 22 56.739 56.739 56.029 0.710 17482 111 1 . 1 1 22 22 GLN CB C 22 29.191 29.191 29.752 -0.561 17482 112 1 . 1 1 22 22 GLN H H 22 8.452 8.452 8.341 0.111 17482 113 1 . 1 1 23 23 LYS N N 23 120.410 120.410 120.530 -0.120 17482 114 1 . 1 1 23 23 LYS HA H 23 4.337 4.337 4.362 -0.025 17482 115 1 . 1 1 23 23 LYS C C 23 176.191 176.191 176.364 -0.173 17482 116 1 . 1 1 23 23 LYS CA C 23 56.208 56.208 56.409 -0.201 17482 117 1 . 1 1 23 23 LYS CB C 23 33.736 33.736 32.246 1.490 17482 118 1 . 1 1 23 23 LYS H H 23 7.935 7.935 8.236 -0.301 17482 119 1 . 1 1 24 24 SER N N 24 117.302 117.302 116.363 0.939 17482 120 1 . 1 1 24 24 SER HA H 24 4.492 4.492 4.497 -0.005 17482 121 1 . 1 1 24 24 SER C C 24 175.717 175.717 175.151 0.566 17482 122 1 . 1 1 24 24 SER CA C 24 58.145 58.145 58.299 -0.154 17482 123 1 . 1 1 24 24 SER CB C 24 63.815 63.815 63.655 0.160 17482 124 1 . 1 1 24 24 SER H H 24 8.365 8.365 8.417 -0.052 17482 125 1 . 1 1 25 25 TYR N N 25 121.904 121.904 122.299 -0.395 17482 126 1 . 1 1 25 25 TYR HA H 25 4.382 4.382 4.215 0.167 17482 127 1 . 1 1 25 25 TYR C C 25 177.752 177.752 177.144 0.608 17482 128 1 . 1 1 25 25 TYR CA C 25 60.945 60.945 61.274 -0.329 17482 129 1 . 1 1 25 25 TYR CB C 25 37.821 37.821 37.898 -0.077 17482 130 1 . 1 1 25 25 TYR H H 25 8.205 8.205 8.606 -0.401 17482 131 1 . 1 1 26 26 ALA N N 26 121.123 121.123 120.957 0.166 17482 132 1 . 1 1 26 26 ALA HA H 26 4.057 4.057 3.972 0.085 17482 133 1 . 1 1 26 26 ALA C C 26 179.037 179.037 179.980 -0.943 17482 134 1 . 1 1 26 26 ALA CA C 26 55.537 55.537 55.346 0.191 17482 135 1 . 1 1 26 26 ALA CB C 26 18.474 18.474 18.007 0.467 17482 136 1 . 1 1 26 26 ALA H H 26 8.233 8.233 8.171 0.062 17482 137 1 . 1 1 27 27 GLU N N 27 117.313 117.313 118.108 -0.795 17482 138 1 . 1 1 27 27 GLU HA H 27 4.017 4.017 4.082 -0.065 17482 139 1 . 1 1 27 27 GLU C C 27 179.166 179.166 179.072 0.094 17482 140 1 . 1 1 27 27 GLU CA C 27 59.478 59.478 59.138 0.340 17482 141 1 . 1 1 27 27 GLU CB C 27 29.866 29.866 29.679 0.187 17482 142 1 . 1 1 27 27 GLU H H 27 7.922 7.922 7.914 0.008 17482 143 1 . 1 1 28 28 GLN N N 28 118.602 118.602 119.291 -0.689 17482 144 1 . 1 1 28 28 GLN HA H 28 4.188 4.188 3.927 0.261 17482 145 1 . 1 1 28 28 GLN C C 28 179.132 179.132 178.818 0.315 17482 146 1 . 1 1 28 28 GLN CA C 28 58.845 58.845 58.749 0.096 17482 147 1 . 1 1 28 28 GLN CB C 28 29.382 29.382 28.440 0.942 17482 148 1 . 1 1 28 28 GLN H H 28 8.179 8.179 7.762 0.417 17482 149 1 . 1 1 29 29 GLY N N 29 107.984 107.984 106.943 1.041 17482 150 1 . 1 1 29 29 GLY C C 29 174.518 174.518 175.694 -1.176 17482 151 1 . 1 1 29 29 GLY CA C 29 47.586 47.586 46.705 0.881 17482 152 1 . 1 1 29 29 GLY H H 29 8.804 8.804 8.533 0.271 17482 153 1 . 1 1 30 30 LYS N N 30 121.339 121.339 122.186 -0.847 17482 154 1 . 1 1 30 30 LYS HA H 30 3.961 3.961 3.881 0.080 17482 155 1 . 1 1 30 30 LYS C C 30 178.925 178.925 179.016 -0.091 17482 156 1 . 1 1 30 30 LYS CA C 30 60.400 60.400 60.110 0.290 17482 157 1 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.284 0.143 17482 158 1 . 1 1 30 30 LYS H H 30 8.406 8.406 7.452 0.954 17482 159 1 . 1 1 31 31 GLU N N 31 119.880 119.880 118.700 1.180 17482 160 1 . 1 1 31 31 GLU HA H 31 4.040 4.040 4.071 -0.031 17482 161 1 . 1 1 31 31 GLU C C 31 177.761 177.761 178.939 -1.178 17482 162 1 . 1 1 31 31 GLU CA C 31 59.531 59.531 58.917 0.614 17482 163 1 . 1 1 31 31 GLU CB C 31 29.531 29.531 29.346 0.185 17482 164 1 . 1 1 31 31 GLU H H 31 8.090 8.090 8.179 -0.089 17482 165 1 . 1 1 32 32 TYR N N 32 119.786 119.786 120.980 -1.194 17482 166 1 . 1 1 32 32 TYR HA H 32 4.271 4.271 4.158 0.113 17482 167 1 . 1 1 32 32 TYR C C 32 178.054 178.054 177.773 0.281 17482 168 1 . 1 1 32 32 TYR CA C 32 61.720 61.720 61.903 -0.183 17482 169 1 . 1 1 32 32 TYR CB C 32 38.931 38.931 38.523 0.408 17482 170 1 . 1 1 32 32 TYR H H 32 8.052 8.052 7.705 0.347 17482 171 1 . 1 1 33 33 ILE N N 33 116.856 116.856 118.101 -1.245 17482 172 1 . 1 1 33 33 ILE HA H 33 3.792 3.792 3.659 0.133 17482 173 1 . 1 1 33 33 ILE C C 33 177.519 177.519 178.011 -0.492 17482 174 1 . 1 1 33 33 ILE CA C 33 64.019 64.019 65.296 -1.277 17482 175 1 . 1 1 33 33 ILE CB C 33 38.111 38.111 37.660 0.452 17482 176 1 . 1 1 33 33 ILE H H 33 8.249 8.249 8.135 0.114 17482 177 1 . 1 1 34 34 THR N N 34 114.203 114.203 114.731 -0.528 17482 178 1 . 1 1 34 34 THR HA H 34 3.934 3.934 3.868 0.066 17482 179 1 . 1 1 34 34 THR C C 34 176.579 176.579 176.568 0.011 17482 180 1 . 1 1 34 34 THR CA C 34 66.459 66.459 66.891 -0.432 17482 181 1 . 1 1 34 34 THR CB C 34 68.845 68.845 68.236 0.609 17482 182 1 . 1 1 34 34 THR H H 34 8.254 8.254 7.998 0.256 17482 183 1 . 1 1 35 35 ASP N N 35 121.116 121.116 120.711 0.405 17482 184 1 . 1 1 35 35 ASP HA H 35 4.496 4.496 4.386 0.110 17482 185 1 . 1 1 35 35 ASP C C 35 177.933 177.933 178.290 -0.357 17482 186 1 . 1 1 35 35 ASP CA C 35 57.062 57.062 57.198 -0.136 17482 187 1 . 1 1 35 35 ASP CB C 35 41.828 41.828 40.722 1.106 17482 188 1 . 1 1 35 35 ASP H H 35 7.880 7.880 7.991 -0.111 17482 189 1 . 1 1 36 36 LYS N N 36 116.457 116.457 119.151 -2.694 17482 190 1 . 1 1 36 36 LYS HA H 36 4.157 4.157 4.051 0.106 17482 191 1 . 1 1 36 36 LYS C C 36 177.968 177.968 178.647 -0.679 17482 192 1 . 1 1 36 36 LYS CA C 36 56.871 56.871 58.780 -1.909 17482 193 1 . 1 1 36 36 LYS CB C 36 31.913 31.913 32.279 -0.366 17482 194 1 . 1 1 36 36 LYS H H 36 7.677 7.677 7.494 0.183 17482 195 1 . 1 1 37 37 ALA N N 37 121.588 121.588 121.542 0.046 17482 196 1 . 1 1 37 37 ALA HA H 37 4.005 4.005 4.096 -0.091 17482 197 1 . 1 1 37 37 ALA C C 37 178.795 178.795 179.939 -1.144 17482 198 1 . 1 1 37 37 ALA CA C 37 55.331 55.331 54.952 0.379 17482 199 1 . 1 1 37 37 ALA CB C 37 18.474 18.474 18.181 0.293 17482 200 1 . 1 1 37 37 ALA H H 37 8.296 8.296 8.188 0.108 17482 201 1 . 1 1 38 38 ASP N N 38 116.490 116.490 118.635 -2.145 17482 202 1 . 1 1 38 38 ASP HA H 38 4.409 4.409 4.495 -0.086 17482 203 1 . 1 1 38 38 ASP C C 38 178.347 178.347 178.453 -0.106 17482 204 1 . 1 1 38 38 ASP CA C 38 56.729 56.729 57.134 -0.405 17482 205 1 . 1 1 38 38 ASP CB C 38 41.048 41.048 41.042 0.006 17482 206 1 . 1 1 38 38 ASP H H 38 8.046 8.046 7.869 0.177 17482 207 1 . 1 1 39 39 LYS N N 39 118.627 118.627 120.717 -2.090 17482 208 1 . 1 1 39 39 LYS HA H 39 4.148 4.148 4.075 0.073 17482 209 1 . 1 1 39 39 LYS C C 39 178.588 178.588 178.956 -0.368 17482 210 1 . 1 1 39 39 LYS CA C 39 58.226 58.226 59.615 -1.389 17482 211 1 . 1 1 39 39 LYS CB C 39 32.657 32.657 32.603 0.054 17482 212 1 . 1 1 39 39 LYS H H 39 7.757 7.757 7.638 0.119 17482 213 1 . 1 1 40 40 VAL N N 40 116.146 116.146 118.892 -2.746 17482 214 1 . 1 1 40 40 VAL HA H 40 3.909 3.909 3.748 0.161 17482 215 1 . 1 1 40 40 VAL C C 40 176.683 176.683 177.092 -0.409 17482 216 1 . 1 1 40 40 VAL CA C 40 64.408 64.408 65.551 -1.142 17482 217 1 . 1 1 40 40 VAL CB C 40 32.334 32.334 31.620 0.714 17482 218 1 . 1 1 40 40 VAL H H 40 7.792 7.792 8.127 -0.335 17482 219 1 . 1 1 41 41 ALA N N 41 122.561 122.561 120.886 1.675 17482 220 1 . 1 1 41 41 ALA HA H 41 4.123 4.123 4.238 -0.115 17482 221 1 . 1 1 41 41 ALA C C 41 179.106 179.106 179.867 -0.761 17482 222 1 . 1 1 41 41 ALA CA C 41 54.529 54.529 54.551 -0.022 17482 223 1 . 1 1 41 41 ALA CB C 41 18.601 18.601 18.583 0.018 17482 224 1 . 1 1 41 41 ALA H H 41 8.094 8.094 7.473 0.621 17482 225 1 . 1 1 42 42 GLY N N 42 105.072 105.072 106.798 -1.726 17482 226 1 . 1 1 42 42 GLY C C 42 174.941 174.941 176.009 -1.068 17482 227 1 . 1 1 42 42 GLY CA C 42 46.027 46.027 46.464 -0.437 17482 228 1 . 1 1 42 42 GLY H H 42 8.044 8.044 8.257 -0.213 17482 229 1 . 1 1 43 43 LYS N N 43 119.123 119.123 119.218 -0.095 17482 230 1 . 1 1 43 43 LYS HA H 43 4.341 4.341 4.169 0.172 17482 231 1 . 1 1 43 43 LYS C C 43 176.631 176.631 176.833 -0.202 17482 232 1 . 1 1 43 43 LYS CA C 43 56.797 56.797 56.651 0.146 17482 233 1 . 1 1 43 43 LYS CB C 43 33.396 33.396 32.565 0.831 17482 234 1 . 1 1 43 43 LYS H H 43 7.834 7.834 8.117 -0.283 17482 235 1 . 1 1 44 44 VAL N N 44 116.413 116.413 120.039 -3.626 17482 236 1 . 1 1 44 44 VAL HA H 44 4.146 4.146 4.066 0.080 17482 237 1 . 1 1 44 44 VAL C C 44 175.018 175.018 174.964 0.054 17482 238 1 . 1 1 44 44 VAL CA C 44 62.331 62.331 61.703 0.628 17482 239 1 . 1 1 44 44 VAL CB C 44 32.641 32.641 32.790 -0.149 17482 240 1 . 1 1 44 44 VAL H H 44 7.650 7.650 7.232 0.418 17482 241 1 . 1 1 45 45 GLN N N 45 122.078 122.078 125.538 -3.460 17482 242 1 . 1 1 45 45 GLN HA H 45 4.659 4.659 4.514 0.145 17482 243 1 . 1 1 45 45 GLN CA C 45 53.664 53.664 53.963 -0.299 17482 244 1 . 1 1 45 45 GLN CB C 45 29.329 29.329 28.109 1.220 17482 245 1 . 1 1 45 45 GLN H H 45 8.154 8.154 8.466 -0.312 17482 246 1 . 1 1 46 46 PRO HA H 46 4.433 4.433 4.485 -0.052 17482 247 1 . 1 1 46 46 PRO C C 46 177.329 177.329 176.887 0.442 17482 248 1 . 1 1 46 46 PRO CA C 46 63.754 63.754 62.779 0.975 17482 249 1 . 1 1 46 46 PRO CB C 46 32.231 32.231 32.415 -0.184 17482 250 1 . 1 1 47 47 GLU N N 47 119.456 119.456 118.068 1.388 17482 251 1 . 1 1 47 47 GLU HA H 47 4.211 4.211 4.153 0.058 17482 252 1 . 1 1 47 47 GLU C C 47 176.484 176.484 175.888 0.596 17482 253 1 . 1 1 47 47 GLU CA C 47 57.468 57.468 57.545 -0.077 17482 254 1 . 1 1 47 47 GLU CB C 47 30.329 30.329 29.766 0.563 17482 255 1 . 1 1 47 47 GLU H H 47 8.491 8.491 8.486 0.005 17482 256 1 . 1 1 48 48 ASP N N 48 119.108 119.108 118.296 0.812 17482 257 1 . 1 1 48 48 ASP HA H 48 4.585 4.585 4.632 -0.047 17482 258 1 . 1 1 48 48 ASP C C 48 175.863 175.863 175.462 0.401 17482 259 1 . 1 1 48 48 ASP CA C 48 54.579 54.579 53.887 0.692 17482 260 1 . 1 1 48 48 ASP CB C 48 41.131 41.131 41.151 -0.020 17482 261 1 . 1 1 48 48 ASP H H 48 8.137 8.137 8.053 0.084 17482 262 1 . 1 1 49 49 ASN N N 49 117.714 117.714 118.698 -0.984 17482 263 1 . 1 1 49 49 ASN HA H 49 4.665 4.665 4.621 0.044 17482 264 1 . 1 1 49 49 ASN C C 49 174.975 174.975 174.427 0.548 17482 265 1 . 1 1 49 49 ASN CA C 49 53.728 53.728 53.738 -0.010 17482 266 1 . 1 1 49 49 ASN CB C 49 39.131 39.131 39.394 -0.263 17482 267 1 . 1 1 49 49 ASN H H 49 8.173 8.173 8.409 -0.236 17482 268 1 . 1 1 50 50 LYS N N 50 120.215 120.215 119.812 0.403 17482 269 1 . 1 1 50 50 LYS HA H 50 4.308 4.308 4.453 -0.145 17482 270 1 . 1 1 50 50 LYS C C 50 176.950 176.950 175.649 1.301 17482 271 1 . 1 1 50 50 LYS CA C 50 56.828 56.828 56.233 0.595 17482 272 1 . 1 1 50 50 LYS CB C 50 33.031 33.031 33.167 -0.136 17482 273 1 . 1 1 50 50 LYS H H 50 8.098 8.098 8.257 -0.159 17482 274 1 . 1 1 51 51 GLY N N 51 109.286 109.286 109.813 -0.527 17482 275 1 . 1 1 51 51 GLY C C 51 175.251 175.251 174.590 0.661 17482 276 1 . 1 1 51 51 GLY CA C 51 45.913 45.913 45.169 0.744 17482 277 1 . 1 1 51 51 GLY H H 51 8.295 8.295 8.309 -0.014 17482 278 1 . 1 1 52 52 VAL N N 52 119.528 119.528 121.932 -2.404 17482 279 1 . 1 1 52 52 VAL HA H 52 3.864 3.864 3.909 -0.045 17482 280 1 . 1 1 52 52 VAL C C 52 176.372 176.372 176.890 -0.518 17482 281 1 . 1 1 52 52 VAL CA C 52 64.346 64.346 64.022 0.324 17482 282 1 . 1 1 52 52 VAL CB C 52 32.230 32.230 31.904 0.326 17482 283 1 . 1 1 52 52 VAL H H 52 7.940 7.940 8.254 -0.314 17482 284 1 . 1 1 53 53 PHE N N 53 118.265 118.265 119.703 -1.438 17482 285 1 . 1 1 53 53 PHE HA H 53 4.593 4.593 4.431 0.162 17482 286 1 . 1 1 53 53 PHE C C 53 176.441 176.441 177.845 -1.404 17482 287 1 . 1 1 53 53 PHE CA C 53 58.676 58.676 60.499 -1.823 17482 288 1 . 1 1 53 53 PHE CB C 53 38.635 38.635 38.753 -0.118 17482 289 1 . 1 1 53 53 PHE H H 53 8.046 8.046 8.152 -0.106 17482 290 1 . 1 1 54 54 GLN N N 54 119.441 119.441 118.912 0.529 17482 291 1 . 1 1 54 54 GLN HA H 54 4.171 4.171 4.094 0.077 17482 292 1 . 1 1 54 54 GLN C C 54 177.166 177.166 178.537 -1.371 17482 293 1 . 1 1 54 54 GLN CA C 54 57.549 57.549 59.167 -1.618 17482 294 1 . 1 1 54 54 GLN CB C 54 29.499 29.499 28.308 1.191 17482 295 1 . 1 1 54 54 GLN H H 54 7.978 7.978 8.572 -0.594 17482 296 1 . 1 1 55 55 GLY N N 55 107.822 107.822 107.270 0.552 17482 297 1 . 1 1 55 55 GLY C C 55 175.294 175.294 175.839 -0.545 17482 298 1 . 1 1 55 55 GLY CA C 55 46.188 46.188 46.571 -0.383 17482 299 1 . 1 1 55 55 GLY H H 55 8.120 8.120 8.035 0.085 17482 300 1 . 1 1 56 56 VAL N N 56 119.174 119.174 121.581 -2.407 17482 301 1 . 1 1 56 56 VAL HA H 56 3.972 3.972 3.652 0.320 17482 302 1 . 1 1 56 56 VAL C C 56 176.527 176.527 177.101 -0.574 17482 303 1 . 1 1 56 56 VAL CA C 56 64.004 64.004 65.456 -1.452 17482 304 1 . 1 1 56 56 VAL CB C 56 32.192 32.192 31.457 0.735 17482 305 1 . 1 1 56 56 VAL H H 56 7.774 7.774 7.664 0.110 17482 306 1 . 1 1 57 57 HIS N N 57 119.221 119.221 117.992 1.229 17482 307 1 . 1 1 57 57 HIS HA H 57 4.542 4.542 4.451 0.091 17482 308 1 . 1 1 57 57 HIS CA C 57 56.973 56.973 58.517 -1.544 17482 309 1 . 1 1 57 57 HIS CB C 57 29.608 29.608 30.245 -0.637 17482 310 1 . 1 1 57 57 HIS H H 57 8.201 8.201 8.007 0.194 17482 311 1 . 1 1 58 58 ASP HA H 58 4.580 4.580 4.405 0.175 17482 312 1 . 1 1 58 58 ASP C C 58 177.097 177.097 178.035 -0.938 17482 313 1 . 1 1 58 58 ASP CA C 58 55.021 55.021 56.915 -1.894 17482 314 1 . 1 1 58 58 ASP CB C 58 41.236 41.236 40.555 0.681 17482 315 1 . 1 1 59 59 SER N N 59 116.347 116.347 115.529 0.818 17482 316 1 . 1 1 59 59 SER HA H 59 4.372 4.372 4.176 0.196 17482 317 1 . 1 1 59 59 SER C C 59 175.087 175.087 175.874 -0.787 17482 318 1 . 1 1 59 59 SER CA C 59 59.207 59.207 60.910 -1.703 17482 319 1 . 1 1 59 59 SER CB C 59 63.780 63.780 63.148 0.632 17482 320 1 . 1 1 59 59 SER H H 59 8.134 8.134 7.895 0.239 17482 321 1 . 1 1 60 60 ALA N N 60 125.097 125.097 122.860 2.237 17482 322 1 . 1 1 60 60 ALA HA H 60 4.253 4.253 4.105 0.148 17482 323 1 . 1 1 60 60 ALA C C 60 178.192 178.192 178.540 -0.348 17482 324 1 . 1 1 60 60 ALA CA C 60 53.561 53.561 54.018 -0.457 17482 325 1 . 1 1 60 60 ALA CB C 60 19.078 19.078 18.607 0.471 17482 326 1 . 1 1 60 60 ALA H H 60 8.203 8.203 7.645 0.558 17482 327 1 . 1 1 61 61 GLU N N 61 118.432 118.432 117.870 0.562 17482 328 1 . 1 1 61 61 GLU HA H 61 4.200 4.200 4.107 0.093 17482 329 1 . 1 1 61 61 GLU C C 61 177.036 177.036 177.206 -0.170 17482 330 1 . 1 1 61 61 GLU CA C 61 57.224 57.224 57.797 -0.573 17482 331 1 . 1 1 61 61 GLU CB C 61 30.228 30.228 30.067 0.161 17482 332 1 . 1 1 61 61 GLU H H 61 8.095 8.095 7.779 0.316 17482 333 1 . 1 1 62 62 LYS N N 62 120.770 120.770 118.264 2.506 17482 334 1 . 1 1 62 62 LYS HA H 62 4.297 4.297 4.225 0.072 17482 335 1 . 1 1 62 62 LYS C C 62 177.450 177.450 176.089 1.361 17482 336 1 . 1 1 62 62 LYS CA C 62 56.826 56.826 56.520 0.306 17482 337 1 . 1 1 62 62 LYS CB C 62 32.943 32.943 33.187 -0.244 17482 338 1 . 1 1 62 62 LYS H H 62 7.969 7.969 7.863 0.106 17482 339 1 . 1 1 63 63 GLY N N 63 108.912 108.912 109.886 -0.974 17482 340 1 . 1 1 63 63 GLY C C 63 174.432 174.432 173.576 0.856 17482 341 1 . 1 1 63 63 GLY CA C 63 45.751 45.751 44.941 0.810 17482 342 1 . 1 1 63 63 GLY H H 63 8.287 8.287 8.337 -0.050 17482 343 1 . 1 1 64 64 LYS N N 64 120.529 120.529 121.171 -0.642 17482 344 1 . 1 1 64 64 LYS HA H 64 4.298 4.298 4.476 -0.178 17482 345 1 . 1 1 64 64 LYS C C 64 176.622 176.622 175.180 1.442 17482 346 1 . 1 1 64 64 LYS CA C 64 56.731 56.731 56.189 0.542 17482 347 1 . 1 1 64 64 LYS CB C 64 33.117 33.117 33.568 -0.451 17482 348 1 . 1 1 64 64 LYS H H 64 8.019 8.019 8.109 -0.090 17482 349 1 . 1 1 65 65 ASP N N 65 120.673 120.673 120.063 0.610 17482 350 1 . 1 1 65 65 ASP HA H 65 4.580 4.580 4.701 -0.121 17482 351 1 . 1 1 65 65 ASP C C 65 176.226 176.226 175.267 0.959 17482 352 1 . 1 1 65 65 ASP CA C 65 54.783 54.783 54.078 0.705 17482 353 1 . 1 1 65 65 ASP CB C 65 41.172 41.172 41.545 -0.373 17482 354 1 . 1 1 65 65 ASP H H 65 8.296 8.296 8.360 -0.064 17482 355 1 . 1 1 66 66 ASN N N 66 118.902 118.902 118.292 0.610 17482 356 1 . 1 1 66 66 ASN HA H 66 4.690 4.690 4.811 -0.121 17482 357 1 . 1 1 66 66 ASN C C 66 175.217 175.217 174.255 0.962 17482 358 1 . 1 1 66 66 ASN CA C 66 53.475 53.475 53.313 0.162 17482 359 1 . 1 1 66 66 ASN CB C 66 39.117 39.117 39.601 -0.483 17482 360 1 . 1 1 66 66 ASN H H 66 8.212 8.212 8.467 -0.255 17482 361 1 . 1 1 67 67 ALA N N 67 124.149 124.149 122.888 1.261 17482 362 1 . 1 1 67 67 ALA HA H 67 4.300 4.300 4.463 -0.163 17482 363 1 . 1 1 67 67 ALA C C 67 177.890 177.890 176.420 1.470 17482 364 1 . 1 1 67 67 ALA CA C 67 53.053 53.053 52.368 0.685 17482 365 1 . 1 1 67 67 ALA CB C 67 19.427 19.427 19.780 -0.353 17482 366 1 . 1 1 67 67 ALA H H 67 8.212 8.212 8.245 -0.033 17482 367 1 . 1 1 68 68 GLU N N 68 119.216 119.216 119.340 -0.124 17482 368 1 . 1 1 68 68 GLU HA H 68 4.271 4.271 4.348 -0.077 17482 369 1 . 1 1 68 68 GLU C C 68 177.243 177.243 176.252 0.991 17482 370 1 . 1 1 68 68 GLU CA C 68 56.797 56.797 56.490 0.307 17482 371 1 . 1 1 68 68 GLU CB C 68 30.159 30.159 30.507 -0.348 17482 372 1 . 1 1 68 68 GLU H H 68 8.286 8.286 8.561 -0.275 17482 373 1 . 1 1 69 69 GLY N N 69 109.637 109.637 109.268 0.369 17482 374 1 . 1 1 69 69 GLY C C 69 174.371 174.371 173.452 0.919 17482 375 1 . 1 1 69 69 GLY CA C 69 45.634 45.634 45.103 0.531 17482 376 1 . 1 1 69 69 GLY H H 69 8.293 8.293 8.232 0.061 17482 377 1 . 1 1 70 70 GLN N N 70 119.629 119.629 119.790 -0.161 17482 378 1 . 1 1 70 70 GLN HA H 70 4.393 4.393 4.348 0.044 17482 379 1 . 1 1 70 70 GLN C C 70 176.502 176.502 175.575 0.927 17482 380 1 . 1 1 70 70 GLN CA C 70 56.046 56.046 55.765 0.281 17482 381 1 . 1 1 70 70 GLN CB C 70 29.627 29.627 29.915 -0.288 17482 382 1 . 1 1 70 70 GLN H H 70 8.201 8.201 8.302 -0.101 17482 383 1 . 1 1 71 71 GLY N N 71 109.977 109.977 110.503 -0.526 17482 384 1 . 1 1 71 71 GLY C C 71 173.992 173.992 173.810 0.182 17482 385 1 . 1 1 71 71 GLY CA C 71 45.634 45.634 44.992 0.642 17482 386 1 . 1 1 71 71 GLY H H 71 8.424 8.424 8.412 0.012 17482 387 1 . 1 1 72 72 GLU N N 72 120.532 120.532 120.659 -0.127 17482 388 1 . 1 1 72 72 GLU HA H 72 4.411 4.411 4.356 0.055 17482 389 1 . 1 1 72 72 GLU C C 72 176.639 176.639 175.614 1.025 17482 390 1 . 1 1 72 72 GLU CA C 72 56.618 56.618 56.400 0.218 17482 391 1 . 1 1 72 72 GLU CB C 72 30.731 30.731 30.521 0.210 17482 392 1 . 1 1 72 72 GLU H H 72 8.244 8.244 8.410 -0.166 17482 393 1 . 1 1 73 73 SER N N 73 117.827 117.827 117.429 0.398 17482 394 1 . 1 1 73 73 SER HA H 73 4.589 4.589 4.507 0.082 17482 395 1 . 1 1 73 73 SER C C 73 175.475 175.475 174.959 0.516 17482 396 1 . 1 1 73 73 SER CA C 73 58.064 58.064 58.091 -0.027 17482 397 1 . 1 1 73 73 SER CB C 73 64.761 64.761 63.662 1.100 17482 398 1 . 1 1 73 73 SER H H 73 8.689 8.689 8.493 0.196 17482 399 1 . 1 1 74 74 LEU N N 74 124.414 124.414 127.756 -3.342 17482 400 1 . 1 1 74 74 LEU HA H 74 4.201 4.201 4.042 0.159 17482 401 1 . 1 1 74 74 LEU C C 74 178.735 178.735 177.742 0.993 17482 402 1 . 1 1 74 74 LEU CA C 74 57.895 57.895 57.266 0.629 17482 403 1 . 1 1 74 74 LEU CB C 74 41.934 41.934 41.820 0.114 17482 404 1 . 1 1 74 74 LEU H H 74 8.514 8.514 8.527 -0.013 17482 405 1 . 1 1 75 75 ALA N N 75 120.291 120.291 120.152 0.139 17482 406 1 . 1 1 75 75 ALA HA H 75 3.990 3.990 3.973 0.017 17482 407 1 . 1 1 75 75 ALA C C 75 179.046 179.046 180.029 -0.983 17482 408 1 . 1 1 75 75 ALA CA C 75 55.267 55.267 55.007 0.260 17482 409 1 . 1 1 75 75 ALA CB C 75 18.594 18.594 17.701 0.893 17482 410 1 . 1 1 75 75 ALA H H 75 8.160 8.160 8.257 -0.097 17482 411 1 . 1 1 76 76 ASP N N 76 117.288 117.288 117.337 -0.049 17482 412 1 . 1 1 76 76 ASP HA H 76 4.406 4.406 4.496 -0.090 17482 413 1 . 1 1 76 76 ASP C C 76 178.476 178.476 178.553 -0.077 17482 414 1 . 1 1 76 76 ASP CA C 76 57.133 57.133 56.956 0.177 17482 415 1 . 1 1 76 76 ASP CB C 76 40.652 40.652 41.094 -0.442 17482 416 1 . 1 1 76 76 ASP H H 76 7.773 7.773 8.115 -0.342 17482 417 1 . 1 1 77 77 GLN N N 77 119.454 119.454 119.137 0.317 17482 418 1 . 1 1 77 77 GLN HA H 77 4.162 4.162 4.167 -0.005 17482 419 1 . 1 1 77 77 GLN C C 77 178.037 178.037 178.111 -0.074 17482 420 1 . 1 1 77 77 GLN CA C 77 58.381 58.381 58.249 0.132 17482 421 1 . 1 1 77 77 GLN CB C 77 29.480 29.480 28.804 0.676 17482 422 1 . 1 1 77 77 GLN H H 77 7.994 7.994 7.681 0.313 17482 423 1 . 1 1 78 78 ALA N N 78 121.577 121.577 123.076 -1.499 17482 424 1 . 1 1 78 78 ALA HA H 78 4.149 4.149 4.167 -0.018 17482 425 1 . 1 1 78 78 ALA C C 78 178.977 178.977 179.574 -0.597 17482 426 1 . 1 1 78 78 ALA CA C 78 55.131 55.131 55.195 -0.064 17482 427 1 . 1 1 78 78 ALA CB C 78 18.655 18.655 18.300 0.355 17482 428 1 . 1 1 78 78 ALA H H 78 8.498 8.498 8.501 -0.003 17482 429 1 . 1 1 79 79 ARG N N 79 117.138 117.138 118.469 -1.331 17482 430 1 . 1 1 79 79 ARG HA H 79 4.012 4.012 4.045 -0.033 17482 431 1 . 1 1 79 79 ARG C C 79 175.449 175.449 178.570 -3.121 17482 432 1 . 1 1 79 79 ARG CA C 79 59.503 59.503 59.078 0.425 17482 433 1 . 1 1 79 79 ARG CB C 79 30.146 30.146 29.831 0.315 17482 434 1 . 1 1 79 79 ARG H H 79 8.101 8.101 7.807 0.294 17482 435 1 . 1 1 80 80 ASP N N 80 120.784 120.784 119.551 1.233 17482 436 1 . 1 1 80 80 ASP HA H 80 4.513 4.513 4.478 0.035 17482 437 1 . 1 1 80 80 ASP C C 80 178.882 178.882 178.558 0.324 17482 438 1 . 1 1 80 80 ASP CA C 80 56.876 56.876 57.400 -0.524 17482 439 1 . 1 1 80 80 ASP CB C 80 40.328 40.328 40.969 -0.641 17482 440 1 . 1 1 80 80 ASP H H 80 8.000 8.000 7.743 0.257 17482 441 1 . 1 1 81 81 TYR N N 81 120.298 120.298 120.870 -0.572 17482 442 1 . 1 1 81 81 TYR HA H 81 4.431 4.431 4.314 0.117 17482 443 1 . 1 1 81 81 TYR C C 81 177.855 177.855 177.734 0.121 17482 444 1 . 1 1 81 81 TYR CA C 81 60.834 60.834 60.473 0.361 17482 445 1 . 1 1 81 81 TYR CB C 81 38.478 38.478 38.670 -0.191 17482 446 1 . 1 1 81 81 TYR H H 81 8.127 8.127 7.617 0.510 17482 447 1 . 1 1 82 82 MET N N 82 118.452 118.452 117.985 0.467 17482 448 1 . 1 1 82 82 MET HA H 82 4.239 4.239 4.015 0.225 17482 449 1 . 1 1 82 82 MET C C 82 178.175 178.175 178.817 -0.642 17482 450 1 . 1 1 82 82 MET CA C 82 58.757 58.757 58.458 0.299 17482 451 1 . 1 1 82 82 MET CB C 82 32.631 32.631 32.124 0.507 17482 452 1 . 1 1 82 82 MET H H 82 8.382 8.382 8.620 -0.237 17482 453 1 . 1 1 83 83 GLY N N 83 106.740 106.740 105.642 1.098 17482 454 1 . 1 1 83 83 GLY C C 83 176.717 176.717 175.221 1.496 17482 455 1 . 1 1 83 83 GLY CA C 83 47.331 47.331 47.211 0.120 17482 456 1 . 1 1 83 83 GLY H H 83 8.308 8.308 8.161 0.147 17482 457 1 . 1 1 84 84 ALA N N 84 125.357 125.357 123.767 1.590 17482 458 1 . 1 1 84 84 ALA HA H 84 4.287 4.287 4.177 0.110 17482 459 1 . 1 1 84 84 ALA C C 84 180.149 180.149 179.232 0.917 17482 460 1 . 1 1 84 84 ALA CA C 84 54.648 54.648 54.617 0.031 17482 461 1 . 1 1 84 84 ALA CB C 84 18.541 18.541 18.311 0.230 17482 462 1 . 1 1 84 84 ALA H H 84 7.905 7.905 7.563 0.342 17482 463 1 . 1 1 85 85 ALA N N 85 121.332 121.332 120.956 0.376 17482 464 1 . 1 1 85 85 ALA HA H 85 4.025 4.025 3.992 0.033 17482 465 1 . 1 1 85 85 ALA C C 85 178.847 178.847 179.680 -0.833 17482 466 1 . 1 1 85 85 ALA CA C 85 55.283 55.283 54.985 0.298 17482 467 1 . 1 1 85 85 ALA CB C 85 18.487 18.487 18.145 0.342 17482 468 1 . 1 1 85 85 ALA H H 85 8.341 8.341 7.745 0.596 17482 469 1 . 1 1 86 86 LYS N N 86 116.980 116.980 119.087 -2.107 17482 470 1 . 1 1 86 86 LYS HA H 86 3.872 3.872 3.927 -0.055 17482 471 1 . 1 1 86 86 LYS C C 86 178.485 178.485 178.883 -0.398 17482 472 1 . 1 1 86 86 LYS CA C 86 60.193 60.193 59.502 0.691 17482 473 1 . 1 1 86 86 LYS CB C 86 32.331 32.331 31.872 0.459 17482 474 1 . 1 1 86 86 LYS H H 86 8.360 8.360 7.722 0.638 17482 475 1 . 1 1 87 87 SER N N 87 113.632 113.632 114.805 -1.173 17482 476 1 . 1 1 87 87 SER HA H 87 4.299 4.299 4.129 0.170 17482 477 1 . 1 1 87 87 SER C C 87 176.467 176.467 176.647 -0.180 17482 478 1 . 1 1 87 87 SER CA C 87 61.614 61.614 61.559 0.055 17482 479 1 . 1 1 87 87 SER CB C 87 63.064 63.064 62.945 0.119 17482 480 1 . 1 1 87 87 SER H H 87 7.863 7.863 7.735 0.128 17482 481 1 . 1 1 88 88 LYS N N 88 120.925 120.925 121.284 -0.359 17482 482 1 . 1 1 88 88 LYS HA H 88 4.345 4.345 4.041 0.304 17482 483 1 . 1 1 88 88 LYS C C 88 178.502 178.502 178.976 -0.474 17482 484 1 . 1 1 88 88 LYS CA C 88 57.696 57.696 58.577 -0.881 17482 485 1 . 1 1 88 88 LYS CB C 88 32.011 32.011 32.178 -0.167 17482 486 1 . 1 1 88 88 LYS H H 88 7.843 7.843 7.702 0.141 17482 487 1 . 1 1 89 89 LEU N N 89 119.955 119.955 121.392 -1.437 17482 488 1 . 1 1 89 89 LEU HA H 89 4.105 4.105 3.926 0.179 17482 489 1 . 1 1 89 89 LEU C C 89 178.209 178.209 178.486 -0.277 17482 490 1 . 1 1 89 89 LEU CA C 89 58.197 58.197 57.998 0.199 17482 491 1 . 1 1 89 89 LEU CB C 89 41.631 41.631 41.548 0.084 17482 492 1 . 1 1 89 89 LEU H H 89 8.174 8.174 8.461 -0.287 17482 493 1 . 1 1 90 90 ASN N N 90 117.013 117.013 116.525 0.488 17482 494 1 . 1 1 90 90 ASN HA H 90 4.393 4.393 4.376 0.017 17482 495 1 . 1 1 90 90 ASN C C 90 174.164 174.164 177.676 -3.512 17482 496 1 . 1 1 90 90 ASN CA C 90 57.166 57.166 56.690 0.476 17482 497 1 . 1 1 90 90 ASN CB C 90 38.952 38.952 38.162 0.790 17482 498 1 . 1 1 90 90 ASN H H 90 8.223 8.223 8.234 -0.011 17482 499 1 . 1 1 91 91 ASP N N 91 119.959 119.959 119.148 0.811 17482 500 1 . 1 1 91 91 ASP HA H 91 4.457 4.457 4.467 -0.010 17482 501 1 . 1 1 91 91 ASP C C 91 178.804 178.804 177.605 1.199 17482 502 1 . 1 1 91 91 ASP CA C 91 57.438 57.438 57.148 0.290 17482 503 1 . 1 1 91 91 ASP CB C 91 40.179 40.179 40.788 -0.609 17482 504 1 . 1 1 91 91 ASP H H 91 8.043 8.043 7.531 0.512 17482 505 1 . 1 1 92 92 ALA N N 92 123.900 123.900 122.650 1.250 17482 506 1 . 1 1 92 92 ALA HA H 92 4.203 4.203 4.262 -0.059 17482 507 1 . 1 1 92 92 ALA C C 92 178.951 178.951 179.612 -0.661 17482 508 1 . 1 1 92 92 ALA CA C 92 55.537 55.537 54.966 0.571 17482 509 1 . 1 1 92 92 ALA CB C 92 18.504 18.504 18.748 -0.244 17482 510 1 . 1 1 92 92 ALA H H 92 8.256 8.256 7.610 0.646 17482 511 1 . 1 1 93 93 VAL N N 93 118.228 118.228 119.683 -1.455 17482 512 1 . 1 1 93 93 VAL HA H 93 3.594 3.594 3.508 0.086 17482 513 1 . 1 1 93 93 VAL C C 93 178.761 178.761 178.044 0.717 17482 514 1 . 1 1 93 93 VAL CA C 93 67.157 67.157 67.242 -0.085 17482 515 1 . 1 1 93 93 VAL CB C 93 31.795 31.795 30.892 0.903 17482 516 1 . 1 1 93 93 VAL H H 93 8.449 8.449 8.665 -0.216 17482 517 1 . 1 1 94 94 GLU N N 94 120.485 120.485 119.370 1.115 17482 518 1 . 1 1 94 94 GLU HA H 94 4.045 4.045 3.954 0.091 17482 519 1 . 1 1 94 94 GLU C C 94 179.347 179.347 179.334 0.013 17482 520 1 . 1 1 94 94 GLU CA C 94 59.631 59.631 60.058 -0.427 17482 521 1 . 1 1 94 94 GLU CB C 94 29.531 29.531 29.553 -0.022 17482 522 1 . 1 1 94 94 GLU H H 94 8.175 8.175 7.859 0.316 17482 523 1 . 1 1 95 95 TYR N N 95 120.806 120.806 119.671 1.135 17482 524 1 . 1 1 95 95 TYR HA H 95 4.228 4.228 4.286 -0.058 17482 525 1 . 1 1 95 95 TYR C C 95 178.407 178.407 177.624 0.783 17482 526 1 . 1 1 95 95 TYR CA C 95 61.561 61.561 61.173 0.388 17482 527 1 . 1 1 95 95 TYR CB C 95 38.631 38.631 38.592 0.039 17482 528 1 . 1 1 95 95 TYR H H 95 8.197 8.197 7.387 0.810 17482 529 1 . 1 1 96 96 VAL N N 96 118.584 118.584 119.704 -1.120 17482 530 1 . 1 1 96 96 VAL HA H 96 3.483 3.483 3.605 -0.122 17482 531 1 . 1 1 96 96 VAL C C 96 177.752 177.752 178.033 -0.281 17482 532 1 . 1 1 96 96 VAL CA C 96 66.680 66.680 66.786 -0.106 17482 533 1 . 1 1 96 96 VAL CB C 96 32.022 32.022 31.225 0.797 17482 534 1 . 1 1 96 96 VAL H H 96 8.525 8.525 8.553 -0.028 17482 535 1 . 1 1 97 97 SER N N 97 114.566 114.566 114.809 -0.243 17482 536 1 . 1 1 97 97 SER HA H 97 4.080 4.080 4.145 -0.065 17482 537 1 . 1 1 97 97 SER C C 97 176.803 176.803 176.928 -0.126 17482 538 1 . 1 1 97 97 SER CA C 97 61.800 61.800 62.169 -0.369 17482 539 1 . 1 1 97 97 SER CB C 97 63.258 63.258 62.838 0.420 17482 540 1 . 1 1 97 97 SER H H 97 8.642 8.642 8.834 -0.192 17482 541 1 . 1 1 98 98 GLY N N 98 107.586 107.586 107.018 0.568 17482 542 1 . 1 1 98 98 GLY C C 98 175.553 175.553 175.109 0.444 17482 543 1 . 1 1 98 98 GLY CA C 98 46.556 46.556 45.883 0.673 17482 544 1 . 1 1 98 98 GLY H H 98 7.926 7.926 7.641 0.285 17482 545 1 . 1 1 99 99 ARG N N 99 119.948 119.948 119.971 -0.023 17482 546 1 . 1 1 99 99 ARG HA H 99 4.203 4.203 4.279 -0.076 17482 547 1 . 1 1 99 99 ARG C C 99 177.830 177.830 178.348 -0.518 17482 548 1 . 1 1 99 99 ARG CA C 99 57.129 57.129 57.418 -0.289 17482 549 1 . 1 1 99 99 ARG CB C 99 30.212 30.212 30.725 -0.513 17482 550 1 . 1 1 99 99 ARG H H 99 7.611 7.611 7.452 0.159 17482 551 1 . 1 1 100 100 VAL N N 100 116.709 116.709 118.126 -1.417 17482 552 1 . 1 1 100 100 VAL HA H 100 3.940 3.940 3.751 0.189 17482 553 1 . 1 1 100 100 VAL C C 100 176.381 176.381 176.698 -0.317 17482 554 1 . 1 1 100 100 VAL CA C 100 63.931 63.931 65.326 -1.395 17482 555 1 . 1 1 100 100 VAL CB C 100 32.331 32.331 31.910 0.421 17482 556 1 . 1 1 100 100 VAL H H 100 7.906 7.906 8.298 -0.392 17482 557 1 . 1 1 101 101 HIS N N 101 117.584 117.584 117.792 -0.208 17482 558 1 . 1 1 101 101 HIS HA H 101 4.775 4.775 4.411 0.364 17482 559 1 . 1 1 101 101 HIS C C 101 175.484 175.484 175.072 0.412 17482 560 1 . 1 1 101 101 HIS CA C 101 55.862 55.862 56.920 -1.058 17482 561 1 . 1 1 101 101 HIS CB C 101 29.517 29.517 30.072 -0.555 17482 562 1 . 1 1 101 101 HIS H H 101 8.061 8.061 7.644 0.416 17482 563 1 . 1 1 102 102 GLY N N 102 109.164 109.164 109.275 -0.111 17482 564 1 . 1 1 102 102 GLY C C 102 174.121 174.121 173.511 0.610 17482 565 1 . 1 1 102 102 GLY CA C 102 45.719 45.719 45.210 0.509 17482 566 1 . 1 1 102 102 GLY H H 102 7.990 7.990 8.175 -0.185 17482 567 1 . 1 1 103 103 GLU N N 103 120.493 120.493 120.654 -0.161 17482 568 1 . 1 1 103 103 GLU HA H 103 4.315 4.315 4.418 -0.103 17482 569 1 . 1 1 103 103 GLU C C 103 176.467 176.467 175.445 1.022 17482 570 1 . 1 1 103 103 GLU CA C 103 56.451 56.451 55.915 0.536 17482 571 1 . 1 1 103 103 GLU CB C 103 30.731 30.731 31.113 -0.381 17482 572 1 . 1 1 103 103 GLU H H 103 8.320 8.320 8.160 0.160 17482 573 1 . 1 1 104 104 GLU N N 104 122.018 122.018 120.863 1.155 17482 574 1 . 1 1 104 104 GLU HA H 104 4.263 4.263 4.321 -0.058 17482 575 1 . 1 1 104 104 GLU C C 104 175.820 175.820 175.174 0.646 17482 576 1 . 1 1 104 104 GLU CA C 104 56.480 56.480 56.626 -0.146 17482 577 1 . 1 1 104 104 GLU CB C 104 30.654 30.654 30.751 -0.097 17482 578 1 . 1 1 104 104 GLU H H 104 8.358 8.358 8.374 -0.016 17482 579 1 . 1 1 105 105 ASP N N 105 122.625 122.625 121.217 1.408 17482 580 1 . 1 1 105 105 ASP HA H 105 4.898 4.898 4.786 0.112 17482 581 1 . 1 1 105 105 ASP CA C 105 51.728 51.728 53.341 -1.613 17482 582 1 . 1 1 105 105 ASP CB C 105 41.614 41.614 41.496 0.118 17482 583 1 . 1 1 105 105 ASP H H 105 8.350 8.350 8.321 0.029 17482 584 1 . 1 1 106 106 PRO HA H 106 4.466 4.466 4.571 -0.105 17482 585 1 . 1 1 106 106 PRO C C 106 177.605 177.605 176.350 1.255 17482 586 1 . 1 1 106 106 PRO CA C 106 63.921 63.921 63.147 0.774 17482 587 1 . 1 1 106 106 PRO CB C 106 32.296 32.296 32.384 -0.088 17482 588 1 . 1 1 107 107 THR N N 107 111.954 111.954 113.143 -1.189 17482 589 1 . 1 1 107 107 THR HA H 107 4.281 4.281 4.428 -0.147 17482 590 1 . 1 1 107 107 THR C C 107 174.889 174.889 173.883 1.006 17482 591 1 . 1 1 107 107 THR CA C 107 62.896 62.896 61.984 0.912 17482 592 1 . 1 1 107 107 THR CB C 107 69.593 69.593 69.871 -0.278 17482 593 1 . 1 1 107 107 THR H H 107 8.355 8.355 8.165 0.190 17482 594 1 . 1 1 108 108 LYS N N 108 123.177 123.177 122.094 1.083 17482 595 1 . 1 1 108 108 LYS HA H 108 4.355 4.355 4.488 -0.133 17482 596 1 . 1 1 108 108 LYS C C 108 175.406 175.406 175.855 -0.449 17482 597 1 . 1 1 108 108 LYS CA C 108 56.252 56.252 56.139 0.113 17482 598 1 . 1 1 108 108 LYS CB C 108 32.964 32.964 33.576 -0.612 17482 599 1 . 1 1 108 108 LYS H H 108 7.739 7.739 8.397 -0.658 17482 stop_ save_