data_25177 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25177 _Entry.PDB_ID 2MTQ 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 25177 _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 3 3 SER HA H 3 4.362 4.362 4.732 -0.370 25177 2 1 1 . 1 1 3 3 SER C C 3 176.187 176.187 174.684 1.503 25177 3 1 1 . 1 1 3 3 SER CA C 3 55.064 55.064 56.842 -1.778 25177 4 1 1 . 1 1 3 3 SER CB C 3 61.154 61.154 62.754 -1.600 25177 5 1 1 . 1 1 4 4 TRP N N 4 122.487 122.487 124.241 -1.754 25177 6 1 1 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.369 0.163 25177 7 1 1 . 1 1 4 4 TRP C C 4 177.481 177.481 176.125 1.356 25177 8 1 1 . 1 1 4 4 TRP CA C 4 59.541 59.541 61.018 -1.477 25177 9 1 1 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.965 -0.408 25177 10 1 1 . 1 1 4 4 TRP H H 4 8.287 8.287 7.749 0.538 25177 11 1 1 . 1 1 5 5 ALA N N 5 121.306 121.306 121.566 -0.260 25177 12 1 1 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.929 -0.047 25177 13 1 1 . 1 1 5 5 ALA C C 5 180.462 180.462 179.549 0.913 25177 14 1 1 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.695 -0.297 25177 15 1 1 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.934 0.094 25177 16 1 1 . 1 1 5 5 ALA H H 5 8.287 8.287 8.504 -0.217 25177 17 1 1 . 1 1 6 6 GLU N N 6 118.841 118.841 119.538 -0.697 25177 18 1 1 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.055 0.007 25177 19 1 1 . 1 1 6 6 GLU C C 6 179.425 179.425 178.899 0.526 25177 20 1 1 . 1 1 6 6 GLU CA C 6 59.242 59.242 60.088 -0.846 25177 21 1 1 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.449 -0.232 25177 22 1 1 . 1 1 6 6 GLU H H 6 7.805 7.805 8.528 -0.723 25177 23 1 1 . 1 1 7 7 PHE N N 7 120.314 120.314 118.263 2.051 25177 24 1 1 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.389 -0.024 25177 25 1 1 . 1 1 7 7 PHE C C 7 178.168 178.168 178.020 0.148 25177 26 1 1 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.332 0.068 25177 27 1 1 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.691 0.483 25177 28 1 1 . 1 1 7 7 PHE H H 7 7.950 7.950 7.835 0.115 25177 29 1 1 . 1 1 8 8 LYS N N 8 119.370 119.370 119.770 -0.400 25177 30 1 1 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.717 0.090 25177 31 1 1 . 1 1 8 8 LYS C C 8 179.501 179.501 178.789 0.712 25177 32 1 1 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.388 0.714 25177 33 1 1 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.921 -0.128 25177 34 1 1 . 1 1 8 8 LYS H H 8 8.214 8.214 8.057 0.157 25177 35 1 1 . 1 1 9 9 GLN N N 9 120.219 120.219 118.791 1.428 25177 36 1 1 . 1 1 9 9 GLN HA H 9 4.075 4.075 4.002 0.073 25177 37 1 1 . 1 1 9 9 GLN C C 9 178.818 178.818 178.501 0.317 25177 38 1 1 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.360 -0.762 25177 39 1 1 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.765 -0.665 25177 40 1 1 . 1 1 9 9 GLN H H 9 7.859 7.859 8.088 -0.229 25177 41 1 1 . 1 1 10 10 ARG N N 10 122.005 122.005 119.457 2.548 25177 42 1 1 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.939 0.114 25177 43 1 1 . 1 1 10 10 ARG C C 10 179.057 179.057 178.723 0.334 25177 44 1 1 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.419 -0.344 25177 45 1 1 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.838 0.697 25177 46 1 1 . 1 1 10 10 ARG H H 10 8.135 8.135 8.100 0.035 25177 47 1 1 . 1 1 11 11 LEU N N 11 120.796 120.796 120.118 0.678 25177 48 1 1 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.828 -0.187 25177 49 1 1 . 1 1 11 11 LEU C C 11 177.921 177.921 177.940 -0.019 25177 50 1 1 . 1 1 11 11 LEU CA C 11 57.226 57.226 58.194 -0.967 25177 51 1 1 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.834 -1.230 25177 52 1 1 . 1 1 11 11 LEU H H 11 8.066 8.066 8.076 -0.010 25177 53 1 1 . 1 1 12 12 ALA N N 12 121.596 121.596 121.705 -0.109 25177 54 1 1 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.881 0.132 25177 55 1 1 . 1 1 12 12 ALA C C 12 180.299 180.299 179.270 1.029 25177 56 1 1 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.107 -0.052 25177 57 1 1 . 1 1 12 12 ALA CB C 12 17.431 17.431 18.045 -0.614 25177 58 1 1 . 1 1 12 12 ALA H H 12 7.670 7.670 8.046 -0.376 25177 59 1 1 . 1 1 13 13 ALA N N 13 121.486 121.486 121.570 -0.084 25177 60 1 1 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.983 0.179 25177 61 1 1 . 1 1 13 13 ALA C C 13 180.732 180.732 179.496 1.236 25177 62 1 1 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.935 -0.054 25177 63 1 1 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.264 -0.448 25177 64 1 1 . 1 1 13 13 ALA H H 13 7.601 7.601 7.993 -0.392 25177 65 1 1 . 1 1 14 14 ILE N N 14 121.912 121.912 118.677 3.235 25177 66 1 1 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.081 0.593 25177 67 1 1 . 1 1 14 14 ILE C C 14 177.883 177.883 177.754 0.129 25177 68 1 1 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.088 0.733 25177 69 1 1 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.542 0.536 25177 70 1 1 . 1 1 14 14 ILE H H 14 7.843 7.843 7.970 -0.127 25177 71 1 1 . 1 1 15 15 LYS N N 15 121.705 121.705 119.919 1.786 25177 72 1 1 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.772 0.065 25177 73 1 1 . 1 1 15 15 LYS C C 15 178.896 178.896 178.786 0.110 25177 74 1 1 . 1 1 15 15 LYS CA C 15 60.438 60.438 59.978 0.460 25177 75 1 1 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.203 -0.086 25177 76 1 1 . 1 1 15 15 LYS H H 15 8.439 8.439 8.069 0.370 25177 77 1 1 . 1 1 16 16 THR N N 16 115.218 115.218 116.631 -1.413 25177 78 1 1 . 1 1 16 16 THR HA H 16 3.919 3.919 3.977 -0.058 25177 79 1 1 . 1 1 16 16 THR C C 16 176.872 176.872 177.065 -0.193 25177 80 1 1 . 1 1 16 16 THR CA C 16 66.297 66.297 66.403 -0.106 25177 81 1 1 . 1 1 16 16 THR CB C 16 69.045 69.045 68.269 0.776 25177 82 1 1 . 1 1 16 16 THR H H 16 7.936 7.936 8.157 -0.221 25177 83 1 1 . 1 1 17 17 ARG N N 17 122.508 122.508 120.950 1.558 25177 84 1 1 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.138 -0.119 25177 85 1 1 . 1 1 17 17 ARG C C 17 178.281 178.281 178.693 -0.412 25177 86 1 1 . 1 1 17 17 ARG CA C 17 58.970 58.970 58.953 0.017 25177 87 1 1 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.719 0.419 25177 88 1 1 . 1 1 17 17 ARG H H 17 7.781 7.781 8.128 -0.347 25177 89 1 1 . 1 1 18 18 CYS N N 18 119.296 119.296 118.453 0.843 25177 90 1 1 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.183 -0.709 25177 91 1 1 . 1 1 18 18 CYS C C 18 176.151 176.151 176.305 -0.154 25177 92 1 1 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.836 -0.481 25177 93 1 1 . 1 1 18 18 CYS CB C 18 26.572 26.572 26.844 -0.272 25177 94 1 1 . 1 1 18 18 CYS H H 18 8.158 8.158 7.568 0.590 25177 95 1 1 . 1 1 19 19 GLN N N 19 116.825 116.825 117.731 -0.906 25177 96 1 1 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.243 -0.203 25177 97 1 1 . 1 1 19 19 GLN C C 19 176.178 176.178 178.396 -2.218 25177 98 1 1 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.694 -1.315 25177 99 1 1 . 1 1 19 19 GLN CB C 19 28.284 28.284 28.900 -0.616 25177 100 1 1 . 1 1 19 19 GLN H H 19 7.523 7.523 8.056 -0.533 25177 101 1 1 . 1 1 20 20 ALA N N 20 121.265 121.265 120.946 0.319 25177 102 1 1 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.277 0.084 25177 103 1 1 . 1 1 20 20 ALA C C 20 177.491 177.491 177.561 -0.070 25177 104 1 1 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.442 -0.572 25177 105 1 1 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.670 -0.479 25177 106 1 1 . 1 1 20 20 ALA H H 20 7.322 7.322 7.778 -0.456 25177 107 1 1 . 1 1 21 21 LEU N N 21 120.570 120.570 118.740 1.830 25177 108 1 1 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.987 0.043 25177 109 1 1 . 1 1 21 21 LEU C C 21 177.889 177.889 177.726 0.163 25177 110 1 1 . 1 1 21 21 LEU CA C 21 55.960 55.960 54.564 1.396 25177 111 1 1 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.422 3.066 25177 112 1 1 . 1 1 21 21 LEU H H 21 7.200 7.200 7.862 -0.662 25177 113 1 1 . 1 1 22 22 GLY N N 22 109.881 109.881 107.536 2.345 25177 114 1 1 . 1 1 22 22 GLY C C 22 174.896 174.896 175.127 -0.231 25177 115 1 1 . 1 1 22 22 GLY CA C 22 45.562 45.562 46.060 -0.498 25177 116 1 1 . 1 1 22 22 GLY H H 22 8.454 8.454 8.466 -0.012 25177 117 1 1 . 1 1 23 23 GLY N N 23 107.014 107.014 107.926 -0.912 25177 118 1 1 . 1 1 23 23 GLY C C 23 174.347 174.347 173.638 0.709 25177 119 1 1 . 1 1 23 23 GLY CA C 23 45.514 45.514 44.788 0.727 25177 120 1 1 . 1 1 23 23 GLY H H 23 7.759 7.759 8.052 -0.293 25177 121 1 1 . 1 1 24 24 SER N N 24 116.572 116.572 116.128 0.444 25177 122 1 1 . 1 1 24 24 SER HA H 24 4.519 4.519 4.666 -0.147 25177 123 1 1 . 1 1 24 24 SER C C 24 175.184 175.184 174.175 1.009 25177 124 1 1 . 1 1 24 24 SER CA C 24 57.853 57.853 57.676 0.177 25177 125 1 1 . 1 1 24 24 SER CB C 24 64.487 64.487 65.518 -1.031 25177 126 1 1 . 1 1 24 24 SER H H 24 8.096 8.096 8.136 -0.040 25177 127 1 1 . 1 1 25 25 GLU N N 25 126.083 126.083 124.996 1.087 25177 128 1 1 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.082 -0.229 25177 129 1 1 . 1 1 25 25 GLU C C 25 178.773 178.773 177.723 1.050 25177 130 1 1 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.655 1.319 25177 131 1 1 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.439 -0.257 25177 132 1 1 . 1 1 25 25 GLU H H 25 9.042 9.042 8.859 0.183 25177 133 1 1 . 1 1 26 26 ALA N N 26 121.614 121.614 123.002 -1.388 25177 134 1 1 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.227 -0.080 25177 135 1 1 . 1 1 26 26 ALA C C 26 180.987 180.987 179.278 1.709 25177 136 1 1 . 1 1 26 26 ALA CA C 26 54.991 54.991 54.202 0.789 25177 137 1 1 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.214 -0.115 25177 138 1 1 . 1 1 26 26 ALA H H 26 8.514 8.514 8.058 0.456 25177 139 1 1 . 1 1 27 27 GLU N N 27 119.564 119.564 120.018 -0.454 25177 140 1 1 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.444 0.667 25177 141 1 1 . 1 1 27 27 GLU C C 27 179.198 179.198 178.445 0.753 25177 142 1 1 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.720 -0.894 25177 143 1 1 . 1 1 27 27 GLU CB C 27 29.958 29.958 29.248 0.710 25177 144 1 1 . 1 1 27 27 GLU H H 27 7.757 7.757 8.457 -0.700 25177 145 1 1 . 1 1 28 28 CYS N N 28 120.060 120.060 117.159 2.901 25177 146 1 1 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.345 -0.214 25177 147 1 1 . 1 1 28 28 CYS C C 28 176.521 176.521 176.995 -0.474 25177 148 1 1 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.500 0.211 25177 149 1 1 . 1 1 28 28 CYS CB C 28 26.601 26.601 27.462 -0.861 25177 150 1 1 . 1 1 28 28 CYS H H 28 8.145 8.145 7.688 0.457 25177 151 1 1 . 1 1 29 29 ALA N N 29 122.930 122.930 122.609 0.321 25177 152 1 1 . 1 1 29 29 ALA HA H 29 4.210 4.210 4.015 0.195 25177 153 1 1 . 1 1 29 29 ALA C C 29 179.659 179.659 178.937 0.722 25177 154 1 1 . 1 1 29 29 ALA CA C 29 54.894 54.894 54.867 0.027 25177 155 1 1 . 1 1 29 29 ALA CB C 29 17.701 17.701 18.285 -0.584 25177 156 1 1 . 1 1 29 29 ALA H H 29 8.342 8.342 7.532 0.810 25177 157 1 1 . 1 1 30 30 ALA N N 30 121.235 121.235 121.298 -0.063 25177 158 1 1 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.935 0.290 25177 159 1 1 . 1 1 30 30 ALA C C 30 180.452 180.452 179.569 0.883 25177 160 1 1 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.820 0.140 25177 161 1 1 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.053 -0.304 25177 162 1 1 . 1 1 30 30 ALA H H 30 7.676 7.676 8.159 -0.483 25177 163 1 1 . 1 1 31 31 PHE N N 31 121.297 121.297 118.591 2.706 25177 164 1 1 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.211 0.130 25177 165 1 1 . 1 1 31 31 PHE C C 31 177.355 177.355 178.127 -0.772 25177 166 1 1 . 1 1 31 31 PHE CA C 31 61.019 61.019 59.260 1.760 25177 167 1 1 . 1 1 31 31 PHE CB C 31 39.314 39.314 37.892 1.422 25177 168 1 1 . 1 1 31 31 PHE H H 31 8.086 8.086 7.738 0.348 25177 169 1 1 . 1 1 32 32 GLU N N 32 119.861 119.861 120.619 -0.758 25177 170 1 1 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.837 -0.053 25177 171 1 1 . 1 1 32 32 GLU C C 32 178.906 178.906 179.042 -0.136 25177 172 1 1 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.038 -0.095 25177 173 1 1 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.489 -0.546 25177 174 1 1 . 1 1 32 32 GLU H H 32 8.417 8.417 8.326 0.091 25177 175 1 1 . 1 1 33 33 LYS N N 33 118.133 118.133 119.277 -1.144 25177 176 1 1 . 1 1 33 33 LYS HA H 33 4.044 4.044 4.004 0.040 25177 177 1 1 . 1 1 33 33 LYS C C 33 179.471 179.471 178.928 0.543 25177 178 1 1 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.581 -0.184 25177 179 1 1 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.395 -0.164 25177 180 1 1 . 1 1 33 33 LYS H H 33 7.491 7.491 7.954 -0.463 25177 181 1 1 . 1 1 34 34 GLU N N 34 121.763 121.763 120.223 1.540 25177 182 1 1 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.918 0.199 25177 183 1 1 . 1 1 34 34 GLU C C 34 179.955 179.955 179.303 0.652 25177 184 1 1 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.428 0.088 25177 185 1 1 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.450 0.013 25177 186 1 1 . 1 1 34 34 GLU H H 34 7.699 7.699 8.109 -0.410 25177 187 1 1 . 1 1 35 35 ILE N N 35 121.167 121.167 119.195 1.972 25177 188 1 1 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.686 0.097 25177 189 1 1 . 1 1 35 35 ILE C C 35 177.219 177.219 178.082 -0.863 25177 190 1 1 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.852 0.109 25177 191 1 1 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.709 0.946 25177 192 1 1 . 1 1 35 35 ILE H H 35 8.120 8.120 8.443 -0.323 25177 193 1 1 . 1 1 36 36 ALA N N 36 124.132 124.132 123.132 1.000 25177 194 1 1 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.177 0.169 25177 195 1 1 . 1 1 36 36 ALA C C 36 180.915 180.915 179.641 1.274 25177 196 1 1 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.169 -0.165 25177 197 1 1 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.120 -0.360 25177 198 1 1 . 1 1 36 36 ALA H H 36 8.161 8.161 7.990 0.171 25177 199 1 1 . 1 1 37 37 ALA N N 37 121.980 121.980 120.830 1.150 25177 200 1 1 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.162 0.028 25177 201 1 1 . 1 1 37 37 ALA C C 37 180.126 180.126 179.784 0.342 25177 202 1 1 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.807 0.233 25177 203 1 1 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.374 -0.774 25177 204 1 1 . 1 1 37 37 ALA H H 37 7.887 7.887 8.137 -0.250 25177 205 1 1 . 1 1 38 38 PHE N N 38 121.517 121.517 119.562 1.955 25177 206 1 1 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.203 -0.010 25177 207 1 1 . 1 1 38 38 PHE C C 38 177.044 177.044 177.675 -0.631 25177 208 1 1 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.942 0.543 25177 209 1 1 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.871 0.206 25177 210 1 1 . 1 1 38 38 PHE H H 38 7.751 7.751 8.158 -0.407 25177 211 1 1 . 1 1 39 39 GLU N N 39 118.815 118.815 118.243 0.572 25177 212 1 1 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.974 -0.336 25177 213 1 1 . 1 1 39 39 GLU C C 39 179.591 179.591 178.988 0.603 25177 214 1 1 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.748 0.673 25177 215 1 1 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.126 0.736 25177 216 1 1 . 1 1 39 39 GLU H H 39 8.746 8.746 8.630 0.116 25177 217 1 1 . 1 1 40 40 SER N N 40 115.384 115.384 115.499 -0.115 25177 218 1 1 . 1 1 40 40 SER HA H 40 4.176 4.176 4.259 -0.083 25177 219 1 1 . 1 1 40 40 SER C C 40 177.354 177.354 176.739 0.615 25177 220 1 1 . 1 1 40 40 SER CA C 40 61.771 61.771 61.446 0.325 25177 221 1 1 . 1 1 40 40 SER CB C 40 62.786 62.786 63.045 -0.259 25177 222 1 1 . 1 1 40 40 SER H H 40 8.171 8.171 8.170 0.001 25177 223 1 1 . 1 1 41 41 GLU N N 41 123.650 123.650 120.932 2.718 25177 224 1 1 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.083 -0.010 25177 225 1 1 . 1 1 41 41 GLU C C 41 179.360 179.360 178.658 0.702 25177 226 1 1 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.728 0.782 25177 227 1 1 . 1 1 41 41 GLU CB C 41 29.521 29.521 29.955 -0.434 25177 228 1 1 . 1 1 41 41 GLU H H 41 7.819 7.819 7.956 -0.137 25177 229 1 1 . 1 1 42 42 LEU N N 42 119.352 119.352 117.904 1.448 25177 230 1 1 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.095 -0.328 25177 231 1 1 . 1 1 42 42 LEU C C 42 179.152 179.152 178.526 0.626 25177 232 1 1 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.561 -0.597 25177 233 1 1 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.238 -0.746 25177 234 1 1 . 1 1 42 42 LEU H H 42 7.816 7.816 7.969 -0.153 25177 235 1 1 . 1 1 43 43 GLN N N 43 118.423 118.423 117.220 1.203 25177 236 1 1 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.222 -0.264 25177 237 1 1 . 1 1 43 43 GLN C C 43 177.081 177.081 177.311 -0.230 25177 238 1 1 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.782 0.383 25177 239 1 1 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.440 -0.233 25177 240 1 1 . 1 1 43 43 GLN H H 43 7.785 7.785 8.089 -0.304 25177 241 1 1 . 1 1 44 44 ALA N N 44 120.300 120.300 120.538 -0.238 25177 242 1 1 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.232 -0.071 25177 243 1 1 . 1 1 44 44 ALA C C 44 177.823 177.823 178.431 -0.608 25177 244 1 1 . 1 1 44 44 ALA CA C 44 53.156 53.156 52.563 0.592 25177 245 1 1 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.260 0.165 25177 246 1 1 . 1 1 44 44 ALA H H 44 7.380 7.380 7.482 -0.102 25177 247 1 1 . 1 1 45 45 TYR N N 45 118.887 118.887 119.110 -0.223 25177 248 1 1 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.076 0.297 25177 249 1 1 . 1 1 45 45 TYR C C 45 176.018 176.018 177.259 -1.241 25177 250 1 1 . 1 1 45 45 TYR CA C 45 58.749 58.749 61.266 -2.517 25177 251 1 1 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.592 0.205 25177 252 1 1 . 1 1 45 45 TYR H H 45 7.438 7.438 7.289 0.149 25177 253 1 1 . 1 1 46 46 LYS N N 46 124.177 124.177 115.760 8.417 25177 254 1 1 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.302 -0.116 25177 255 1 1 . 1 1 46 46 LYS C C 46 176.900 176.900 176.128 0.772 25177 256 1 1 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.654 0.064 25177 257 1 1 . 1 1 46 46 LYS CB C 46 32.774 32.774 33.103 -0.329 25177 258 1 1 . 1 1 46 46 LYS H H 46 7.884 7.884 8.220 -0.336 25177 259 1 1 . 1 1 47 47 GLY N N 47 109.590 109.590 110.172 -0.582 25177 260 1 1 . 1 1 47 47 GLY C C 47 174.029 174.029 175.694 -1.665 25177 261 1 1 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.818 0.779 25177 262 1 1 . 1 1 47 47 GLY H H 47 7.662 7.662 8.485 -0.823 25177 263 1 1 . 1 1 48 48 LYS N N 48 120.521 120.521 125.865 -5.344 25177 264 1 1 . 1 1 48 48 LYS HA H 48 3.921 3.921 3.979 -0.058 25177 265 1 1 . 1 1 48 48 LYS C C 48 177.262 177.262 177.297 -0.035 25177 266 1 1 . 1 1 48 48 LYS CA C 48 56.345 56.345 58.064 -1.719 25177 267 1 1 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.691 0.187 25177 268 1 1 . 1 1 48 48 LYS H H 48 8.049 8.049 8.079 -0.030 25177 269 1 1 . 1 1 49 49 GLY N N 49 110.678 110.678 104.254 6.424 25177 270 1 1 . 1 1 49 49 GLY C C 49 173.842 173.842 173.577 0.265 25177 271 1 1 . 1 1 49 49 GLY CA C 49 45.585 45.585 44.164 1.421 25177 272 1 1 . 1 1 49 49 GLY H H 49 8.604 8.604 7.782 0.822 25177 273 1 1 . 1 1 50 50 ASN N N 50 120.298 120.298 119.918 0.380 25177 274 1 1 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.672 0.284 25177 275 1 1 . 1 1 50 50 ASN C C 50 177.904 177.904 175.307 2.597 25177 276 1 1 . 1 1 50 50 ASN CA C 50 51.649 51.649 52.420 -0.771 25177 277 1 1 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.697 0.246 25177 278 1 1 . 1 1 50 50 ASN H H 50 8.045 8.045 7.688 0.357 25177 279 1 1 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.300 -0.028 25177 280 1 1 . 1 1 51 51 PRO C C 51 178.931 178.931 178.151 0.780 25177 281 1 1 . 1 1 51 51 PRO CA C 51 65.109 65.109 65.404 -0.295 25177 282 1 1 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.084 -0.250 25177 283 1 1 . 1 1 52 52 GLU N N 52 119.291 119.291 119.458 -0.167 25177 284 1 1 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.997 0.062 25177 285 1 1 . 1 1 52 52 GLU C C 52 178.805 178.805 178.643 0.162 25177 286 1 1 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.026 0.147 25177 287 1 1 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.742 -0.058 25177 288 1 1 . 1 1 52 52 GLU H H 52 8.344 8.344 8.499 -0.155 25177 289 1 1 . 1 1 53 53 VAL N N 53 120.013 120.013 119.931 0.082 25177 290 1 1 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.931 -0.429 25177 291 1 1 . 1 1 53 53 VAL C C 53 177.587 177.587 178.099 -0.512 25177 292 1 1 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.202 0.744 25177 293 1 1 . 1 1 53 53 VAL CB C 53 31.475 31.475 30.797 0.678 25177 294 1 1 . 1 1 53 53 VAL H H 53 7.304 7.304 7.978 -0.674 25177 295 1 1 . 1 1 54 54 GLU N N 54 119.848 119.848 120.926 -1.078 25177 296 1 1 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.885 0.163 25177 297 1 1 . 1 1 54 54 GLU C C 54 178.910 178.910 178.730 0.180 25177 298 1 1 . 1 1 54 54 GLU CA C 54 58.857 58.857 60.300 -1.444 25177 299 1 1 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.231 -0.532 25177 300 1 1 . 1 1 54 54 GLU H H 54 7.820 7.820 7.658 0.162 25177 301 1 1 . 1 1 55 55 ALA N N 55 121.463 121.463 122.619 -1.156 25177 302 1 1 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.165 -0.021 25177 303 1 1 . 1 1 55 55 ALA C C 55 180.920 180.920 179.864 1.056 25177 304 1 1 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.323 -0.064 25177 305 1 1 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.723 -0.923 25177 306 1 1 . 1 1 55 55 ALA H H 55 7.701 7.701 7.525 0.176 25177 307 1 1 . 1 1 56 56 LEU N N 56 120.343 120.343 118.630 1.713 25177 308 1 1 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.955 0.190 25177 309 1 1 . 1 1 56 56 LEU C C 56 178.721 178.721 179.545 -0.824 25177 310 1 1 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.274 -0.375 25177 311 1 1 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.614 0.584 25177 312 1 1 . 1 1 56 56 LEU H H 56 7.656 7.656 7.765 -0.109 25177 313 1 1 . 1 1 57 57 ARG N N 57 119.950 119.950 118.740 1.210 25177 314 1 1 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.944 -0.123 25177 315 1 1 . 1 1 57 57 ARG C C 57 179.667 179.667 178.635 1.032 25177 316 1 1 . 1 1 57 57 ARG CA C 57 60.187 60.187 60.115 0.072 25177 317 1 1 . 1 1 57 57 ARG CB C 57 29.185 29.185 30.116 -0.931 25177 318 1 1 . 1 1 57 57 ARG H H 57 8.350 8.350 8.585 -0.235 25177 319 1 1 . 1 1 58 58 LYS N N 58 120.501 120.501 120.331 0.170 25177 320 1 1 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.063 -0.033 25177 321 1 1 . 1 1 58 58 LYS C C 58 179.448 179.448 179.084 0.364 25177 322 1 1 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.264 0.314 25177 323 1 1 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.027 0.342 25177 324 1 1 . 1 1 58 58 LYS H H 58 7.989 7.989 8.131 -0.142 25177 325 1 1 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.995 0.149 25177 326 1 1 . 1 1 59 59 GLU C C 59 178.877 178.877 179.056 -0.179 25177 327 1 1 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.316 0.103 25177 328 1 1 . 1 1 59 59 GLU CB C 59 29.233 29.233 28.993 0.240 25177 329 1 1 . 1 1 59 59 GLU H H 59 7.891 7.891 8.205 -0.314 25177 330 1 1 . 1 1 60 60 ALA N N 60 122.069 122.069 121.720 0.349 25177 331 1 1 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.991 -0.055 25177 332 1 1 . 1 1 60 60 ALA C C 60 178.379 178.379 179.667 -1.288 25177 333 1 1 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.187 -0.293 25177 334 1 1 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.111 -0.583 25177 335 1 1 . 1 1 60 60 ALA H H 60 8.480 8.480 8.187 0.293 25177 336 1 1 . 1 1 61 61 ALA N N 61 121.446 121.446 121.075 0.371 25177 337 1 1 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.910 0.235 25177 338 1 1 . 1 1 61 61 ALA C C 61 178.579 178.579 179.280 -0.701 25177 339 1 1 . 1 1 61 61 ALA CA C 61 55.440 55.440 55.072 0.367 25177 340 1 1 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.439 -0.272 25177 341 1 1 . 1 1 61 61 ALA H H 61 7.702 7.702 8.019 -0.317 25177 342 1 1 . 1 1 62 62 ALA N N 62 119.705 119.705 121.834 -2.129 25177 343 1 1 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.008 0.024 25177 344 1 1 . 1 1 62 62 ALA C C 62 180.829 180.829 179.693 1.136 25177 345 1 1 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.865 -0.070 25177 346 1 1 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.460 -0.788 25177 347 1 1 . 1 1 62 62 ALA H H 62 7.818 7.818 7.806 0.012 25177 348 1 1 . 1 1 63 63 ILE N N 63 121.021 121.021 119.720 1.301 25177 349 1 1 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.617 0.234 25177 350 1 1 . 1 1 63 63 ILE C C 63 178.076 178.076 177.936 0.140 25177 351 1 1 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.584 -0.896 25177 352 1 1 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.571 0.384 25177 353 1 1 . 1 1 63 63 ILE H H 63 7.876 7.876 8.189 -0.313 25177 354 1 1 . 1 1 64 64 ARG N N 64 121.460 121.460 120.597 0.863 25177 355 1 1 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.834 0.057 25177 356 1 1 . 1 1 64 64 ARG C C 64 178.617 178.617 178.110 0.507 25177 357 1 1 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.227 0.100 25177 358 1 1 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.969 -0.647 25177 359 1 1 . 1 1 64 64 ARG H H 64 8.023 8.023 8.153 -0.130 25177 360 1 1 . 1 1 65 65 ASP N N 65 119.343 119.343 119.331 0.012 25177 361 1 1 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.327 0.058 25177 362 1 1 . 1 1 65 65 ASP C C 65 178.827 178.827 178.768 0.059 25177 363 1 1 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.404 -0.091 25177 364 1 1 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.177 0.186 25177 365 1 1 . 1 1 65 65 ASP H H 65 8.046 8.046 8.160 -0.114 25177 366 1 1 . 1 1 66 66 GLU N N 66 121.291 121.291 119.920 1.371 25177 367 1 1 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.620 0.418 25177 368 1 1 . 1 1 66 66 GLU C C 66 178.410 178.410 178.501 -0.091 25177 369 1 1 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.161 -0.268 25177 370 1 1 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.361 0.115 25177 371 1 1 . 1 1 66 66 GLU H H 66 7.931 7.931 7.960 -0.029 25177 372 1 1 . 1 1 67 67 CYS N N 67 117.825 117.825 118.032 -0.207 25177 373 1 1 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.115 0.084 25177 374 1 1 . 1 1 67 67 CYS C C 67 176.095 176.095 177.037 -0.942 25177 375 1 1 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.231 -2.746 25177 376 1 1 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.431 -0.420 25177 377 1 1 . 1 1 67 67 CYS H H 67 8.009 8.009 8.131 -0.122 25177 378 1 1 . 1 1 68 68 GLN N N 68 118.847 118.847 118.090 0.757 25177 379 1 1 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.097 0.020 25177 380 1 1 . 1 1 68 68 GLN C C 68 177.110 177.110 177.488 -0.378 25177 381 1 1 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.345 -0.891 25177 382 1 1 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.642 -0.294 25177 383 1 1 . 1 1 68 68 GLN H H 68 7.906 7.906 7.955 -0.049 25177 384 1 1 . 1 1 69 69 ALA N N 69 122.260 122.260 119.044 3.216 25177 385 1 1 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.202 -0.099 25177 386 1 1 . 1 1 69 69 ALA C C 69 178.367 178.367 178.029 0.338 25177 387 1 1 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.316 0.366 25177 388 1 1 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.543 -0.347 25177 389 1 1 . 1 1 69 69 ALA H H 69 7.648 7.648 7.477 0.171 25177 390 1 1 . 1 1 70 70 TYR N N 70 117.039 117.039 117.525 -0.486 25177 391 1 1 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.566 -0.156 25177 392 1 1 . 1 1 70 70 TYR C C 70 176.061 176.061 177.060 -0.999 25177 393 1 1 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.643 -0.187 25177 394 1 1 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.782 -1.571 25177 395 1 1 . 1 1 70 70 TYR H H 70 7.541 7.541 7.275 0.266 25177 396 1 1 . 1 1 71 71 ARG N N 71 120.503 120.503 118.596 1.907 25177 397 1 1 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.595 -0.351 25177 398 1 1 . 1 1 71 71 ARG C C 71 175.759 175.759 175.387 0.372 25177 399 1 1 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.415 -0.395 25177 400 1 1 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.515 0.114 25177 401 1 1 . 1 1 71 71 ARG H H 71 7.541 7.541 8.048 -0.507 25177 402 1 1 . 1 1 72 72 HIS N N 72 120.119 120.119 115.564 4.555 25177 403 1 1 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.587 0.077 25177 404 1 1 . 1 1 72 72 HIS C C 72 173.738 173.738 173.099 0.639 25177 405 1 1 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.039 -0.646 25177 406 1 1 . 1 1 72 72 HIS CB C 72 29.761 29.761 30.265 -0.504 25177 407 1 1 . 1 1 72 72 HIS H H 72 8.126 8.126 8.322 -0.196 25177 408 1 2 . 1 1 3 3 SER HA H 3 4.362 4.362 4.374 -0.012 25177 409 1 2 . 1 1 3 3 SER C C 3 176.187 176.187 176.014 0.173 25177 410 1 2 . 1 1 3 3 SER CA C 3 55.064 55.064 60.883 -5.819 25177 411 1 2 . 1 1 3 3 SER CB C 3 61.154 61.154 63.426 -2.272 25177 412 1 2 . 1 1 4 4 TRP N N 4 122.487 122.487 124.074 -1.587 25177 413 1 2 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.327 0.205 25177 414 1 2 . 1 1 4 4 TRP C C 4 177.481 177.481 177.043 0.438 25177 415 1 2 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.801 -1.260 25177 416 1 2 . 1 1 4 4 TRP CB C 4 29.557 29.557 28.939 0.618 25177 417 1 2 . 1 1 4 4 TRP H H 4 8.287 8.287 7.952 0.335 25177 418 1 2 . 1 1 5 5 ALA N N 5 121.306 121.306 121.859 -0.553 25177 419 1 2 . 1 1 5 5 ALA HA H 5 3.882 3.882 4.024 -0.142 25177 420 1 2 . 1 1 5 5 ALA C C 5 180.462 180.462 179.725 0.737 25177 421 1 2 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.457 -0.059 25177 422 1 2 . 1 1 5 5 ALA CB C 5 18.029 18.029 18.127 -0.098 25177 423 1 2 . 1 1 5 5 ALA H H 5 8.287 8.287 8.390 -0.103 25177 424 1 2 . 1 1 6 6 GLU N N 6 118.841 118.841 119.087 -0.246 25177 425 1 2 . 1 1 6 6 GLU HA H 6 4.062 4.062 3.992 0.070 25177 426 1 2 . 1 1 6 6 GLU C C 6 179.425 179.425 179.129 0.296 25177 427 1 2 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.476 -0.234 25177 428 1 2 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.715 -0.498 25177 429 1 2 . 1 1 6 6 GLU H H 6 7.805 7.805 7.661 0.144 25177 430 1 2 . 1 1 7 7 PHE N N 7 120.314 120.314 119.064 1.250 25177 431 1 2 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.301 0.064 25177 432 1 2 . 1 1 7 7 PHE C C 7 178.168 178.168 178.128 0.040 25177 433 1 2 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.710 -0.310 25177 434 1 2 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.652 0.522 25177 435 1 2 . 1 1 7 7 PHE H H 7 7.950 7.950 8.015 -0.065 25177 436 1 2 . 1 1 8 8 LYS N N 8 119.370 119.370 119.249 0.121 25177 437 1 2 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.780 0.027 25177 438 1 2 . 1 1 8 8 LYS C C 8 179.501 179.501 179.133 0.368 25177 439 1 2 . 1 1 8 8 LYS CA C 8 60.102 60.102 58.654 1.448 25177 440 1 2 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.545 0.248 25177 441 1 2 . 1 1 8 8 LYS H H 8 8.214 8.214 8.237 -0.023 25177 442 1 2 . 1 1 9 9 GLN N N 9 120.219 120.219 119.557 0.662 25177 443 1 2 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.973 0.102 25177 444 1 2 . 1 1 9 9 GLN C C 9 178.818 178.818 178.418 0.400 25177 445 1 2 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.460 -0.862 25177 446 1 2 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.736 -0.636 25177 447 1 2 . 1 1 9 9 GLN H H 9 7.859 7.859 8.103 -0.244 25177 448 1 2 . 1 1 10 10 ARG N N 10 122.005 122.005 119.593 2.412 25177 449 1 2 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.885 0.168 25177 450 1 2 . 1 1 10 10 ARG C C 10 179.057 179.057 178.651 0.406 25177 451 1 2 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.028 0.047 25177 452 1 2 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.624 0.911 25177 453 1 2 . 1 1 10 10 ARG H H 10 8.135 8.135 8.030 0.105 25177 454 1 2 . 1 1 11 11 LEU N N 11 120.796 120.796 119.935 0.861 25177 455 1 2 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.751 -0.110 25177 456 1 2 . 1 1 11 11 LEU C C 11 177.921 177.921 177.983 -0.062 25177 457 1 2 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.641 -0.415 25177 458 1 2 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.594 -0.990 25177 459 1 2 . 1 1 11 11 LEU H H 11 8.066 8.066 7.958 0.108 25177 460 1 2 . 1 1 12 12 ALA N N 12 121.596 121.596 121.485 0.111 25177 461 1 2 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.888 0.125 25177 462 1 2 . 1 1 12 12 ALA C C 12 180.299 180.299 179.507 0.792 25177 463 1 2 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.006 0.049 25177 464 1 2 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.952 -0.521 25177 465 1 2 . 1 1 12 12 ALA H H 12 7.670 7.670 7.927 -0.257 25177 466 1 2 . 1 1 13 13 ALA N N 13 121.486 121.486 121.306 0.180 25177 467 1 2 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.998 0.164 25177 468 1 2 . 1 1 13 13 ALA C C 13 180.732 180.732 179.497 1.235 25177 469 1 2 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.872 0.009 25177 470 1 2 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.445 -0.629 25177 471 1 2 . 1 1 13 13 ALA H H 13 7.601 7.601 7.876 -0.275 25177 472 1 2 . 1 1 14 14 ILE N N 14 121.912 121.912 118.399 3.513 25177 473 1 2 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.086 0.588 25177 474 1 2 . 1 1 14 14 ILE C C 14 177.883 177.883 178.218 -0.335 25177 475 1 2 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.123 0.698 25177 476 1 2 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.208 0.870 25177 477 1 2 . 1 1 14 14 ILE H H 14 7.843 7.843 7.927 -0.084 25177 478 1 2 . 1 1 15 15 LYS N N 15 121.705 121.705 120.126 1.579 25177 479 1 2 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.958 -0.121 25177 480 1 2 . 1 1 15 15 LYS C C 15 178.896 178.896 178.986 -0.090 25177 481 1 2 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.269 0.169 25177 482 1 2 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.352 -0.235 25177 483 1 2 . 1 1 15 15 LYS H H 15 8.439 8.439 8.130 0.309 25177 484 1 2 . 1 1 16 16 THR N N 16 115.218 115.218 116.593 -1.375 25177 485 1 2 . 1 1 16 16 THR HA H 16 3.919 3.919 4.048 -0.129 25177 486 1 2 . 1 1 16 16 THR C C 16 176.872 176.872 177.069 -0.197 25177 487 1 2 . 1 1 16 16 THR CA C 16 66.297 66.297 66.443 -0.146 25177 488 1 2 . 1 1 16 16 THR CB C 16 69.045 69.045 68.317 0.728 25177 489 1 2 . 1 1 16 16 THR H H 16 7.936 7.936 8.154 -0.218 25177 490 1 2 . 1 1 17 17 ARG N N 17 122.508 122.508 121.652 0.856 25177 491 1 2 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.136 -0.117 25177 492 1 2 . 1 1 17 17 ARG C C 17 178.281 178.281 178.815 -0.534 25177 493 1 2 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.644 -0.674 25177 494 1 2 . 1 1 17 17 ARG CB C 17 30.138 30.138 30.203 -0.065 25177 495 1 2 . 1 1 17 17 ARG H H 17 7.781 7.781 8.311 -0.530 25177 496 1 2 . 1 1 18 18 CYS N N 18 119.296 119.296 117.965 1.331 25177 497 1 2 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.329 -0.855 25177 498 1 2 . 1 1 18 18 CYS C C 18 176.151 176.151 176.319 -0.168 25177 499 1 2 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.728 -0.373 25177 500 1 2 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.764 -1.192 25177 501 1 2 . 1 1 18 18 CYS H H 18 8.158 8.158 8.149 0.009 25177 502 1 2 . 1 1 19 19 GLN N N 19 116.825 116.825 118.728 -1.903 25177 503 1 2 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.193 -0.153 25177 504 1 2 . 1 1 19 19 GLN C C 19 176.178 176.178 177.833 -1.655 25177 505 1 2 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.419 -1.040 25177 506 1 2 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.050 -0.766 25177 507 1 2 . 1 1 19 19 GLN H H 19 7.523 7.523 7.831 -0.308 25177 508 1 2 . 1 1 20 20 ALA N N 20 121.265 121.265 119.896 1.369 25177 509 1 2 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.220 0.141 25177 510 1 2 . 1 1 20 20 ALA C C 20 177.491 177.491 177.876 -0.385 25177 511 1 2 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.716 -0.846 25177 512 1 2 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.513 -0.322 25177 513 1 2 . 1 1 20 20 ALA H H 20 7.322 7.322 7.847 -0.525 25177 514 1 2 . 1 1 21 21 LEU N N 21 120.570 120.570 116.235 4.335 25177 515 1 2 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.863 0.167 25177 516 1 2 . 1 1 21 21 LEU C C 21 177.889 177.889 176.934 0.955 25177 517 1 2 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.222 0.738 25177 518 1 2 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.411 3.077 25177 519 1 2 . 1 1 21 21 LEU H H 21 7.200 7.200 7.916 -0.716 25177 520 1 2 . 1 1 22 22 GLY N N 22 109.881 109.881 104.183 5.698 25177 521 1 2 . 1 1 22 22 GLY C C 22 174.896 174.896 175.331 -0.435 25177 522 1 2 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.728 0.834 25177 523 1 2 . 1 1 22 22 GLY H H 22 8.454 8.454 7.906 0.548 25177 524 1 2 . 1 1 23 23 GLY N N 23 107.014 107.014 109.735 -2.721 25177 525 1 2 . 1 1 23 23 GLY C C 23 174.347 174.347 174.242 0.105 25177 526 1 2 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.736 -0.223 25177 527 1 2 . 1 1 23 23 GLY H H 23 7.759 7.759 8.189 -0.430 25177 528 1 2 . 1 1 24 24 SER N N 24 116.572 116.572 113.538 3.034 25177 529 1 2 . 1 1 24 24 SER HA H 24 4.519 4.519 4.503 0.016 25177 530 1 2 . 1 1 24 24 SER C C 24 175.184 175.184 174.017 1.167 25177 531 1 2 . 1 1 24 24 SER CA C 24 57.853 57.853 57.158 0.695 25177 532 1 2 . 1 1 24 24 SER CB C 24 64.487 64.487 63.926 0.561 25177 533 1 2 . 1 1 24 24 SER H H 24 8.096 8.096 7.740 0.356 25177 534 1 2 . 1 1 25 25 GLU N N 25 126.083 126.083 126.195 -0.112 25177 535 1 2 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.022 -0.169 25177 536 1 2 . 1 1 25 25 GLU C C 25 178.773 178.773 176.911 1.862 25177 537 1 2 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.932 1.042 25177 538 1 2 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.133 0.049 25177 539 1 2 . 1 1 25 25 GLU H H 25 9.042 9.042 8.910 0.132 25177 540 1 2 . 1 1 26 26 ALA N N 26 121.614 121.614 121.532 0.082 25177 541 1 2 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.292 -0.145 25177 542 1 2 . 1 1 26 26 ALA C C 26 180.987 180.987 179.789 1.198 25177 543 1 2 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.904 1.087 25177 544 1 2 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.591 -0.492 25177 545 1 2 . 1 1 26 26 ALA H H 26 8.514 8.514 7.832 0.681 25177 546 1 2 . 1 1 27 27 GLU N N 27 119.564 119.564 119.967 -0.403 25177 547 1 2 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.984 0.127 25177 548 1 2 . 1 1 27 27 GLU C C 27 179.198 179.198 178.514 0.684 25177 549 1 2 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.020 -0.194 25177 550 1 2 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.810 1.148 25177 551 1 2 . 1 1 27 27 GLU H H 27 7.757 7.757 8.515 -0.758 25177 552 1 2 . 1 1 28 28 CYS N N 28 120.060 120.060 117.484 2.576 25177 553 1 2 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.897 0.234 25177 554 1 2 . 1 1 28 28 CYS C C 28 176.521 176.521 176.631 -0.110 25177 555 1 2 . 1 1 28 28 CYS CA C 28 63.711 63.711 64.299 -0.588 25177 556 1 2 . 1 1 28 28 CYS CB C 28 26.601 26.601 26.917 -0.316 25177 557 1 2 . 1 1 28 28 CYS H H 28 8.145 8.145 7.853 0.292 25177 558 1 2 . 1 1 29 29 ALA N N 29 122.930 122.930 122.371 0.559 25177 559 1 2 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.924 0.286 25177 560 1 2 . 1 1 29 29 ALA C C 29 179.659 179.659 178.864 0.795 25177 561 1 2 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.196 -0.302 25177 562 1 2 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.803 -0.102 25177 563 1 2 . 1 1 29 29 ALA H H 29 8.342 8.342 7.725 0.617 25177 564 1 2 . 1 1 30 30 ALA N N 30 121.235 121.235 121.210 0.025 25177 565 1 2 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.069 0.156 25177 566 1 2 . 1 1 30 30 ALA C C 30 180.452 180.452 179.788 0.664 25177 567 1 2 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.905 0.055 25177 568 1 2 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.242 -0.493 25177 569 1 2 . 1 1 30 30 ALA H H 30 7.676 7.676 7.651 0.025 25177 570 1 2 . 1 1 31 31 PHE N N 31 121.297 121.297 118.582 2.715 25177 571 1 2 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.128 0.213 25177 572 1 2 . 1 1 31 31 PHE C C 31 177.355 177.355 177.678 -0.323 25177 573 1 2 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.330 0.689 25177 574 1 2 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.523 0.791 25177 575 1 2 . 1 1 31 31 PHE H H 31 8.086 8.086 8.155 -0.069 25177 576 1 2 . 1 1 32 32 GLU N N 32 119.861 119.861 119.879 -0.018 25177 577 1 2 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.871 -0.087 25177 578 1 2 . 1 1 32 32 GLU C C 32 178.906 178.906 179.022 -0.116 25177 579 1 2 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.179 -0.235 25177 580 1 2 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.435 -0.492 25177 581 1 2 . 1 1 32 32 GLU H H 32 8.417 8.417 8.238 0.179 25177 582 1 2 . 1 1 33 33 LYS N N 33 118.133 118.133 119.347 -1.214 25177 583 1 2 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.957 0.087 25177 584 1 2 . 1 1 33 33 LYS C C 33 179.471 179.471 178.994 0.477 25177 585 1 2 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.825 -0.429 25177 586 1 2 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.334 -0.103 25177 587 1 2 . 1 1 33 33 LYS H H 33 7.491 7.491 7.911 -0.420 25177 588 1 2 . 1 1 34 34 GLU N N 34 121.763 121.763 119.425 2.338 25177 589 1 2 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.974 0.143 25177 590 1 2 . 1 1 34 34 GLU C C 34 179.955 179.955 178.838 1.117 25177 591 1 2 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.691 -0.176 25177 592 1 2 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.407 0.056 25177 593 1 2 . 1 1 34 34 GLU H H 34 7.699 7.699 7.899 -0.200 25177 594 1 2 . 1 1 35 35 ILE N N 35 121.167 121.167 119.294 1.873 25177 595 1 2 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.613 0.170 25177 596 1 2 . 1 1 35 35 ILE C C 35 177.219 177.219 178.118 -0.899 25177 597 1 2 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.926 0.035 25177 598 1 2 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.567 1.089 25177 599 1 2 . 1 1 35 35 ILE H H 35 8.120 8.120 8.023 0.097 25177 600 1 2 . 1 1 36 36 ALA N N 36 124.132 124.132 122.998 1.134 25177 601 1 2 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.301 0.045 25177 602 1 2 . 1 1 36 36 ALA C C 36 180.915 180.915 179.786 1.129 25177 603 1 2 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.037 -0.033 25177 604 1 2 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.222 -0.462 25177 605 1 2 . 1 1 36 36 ALA H H 36 8.161 8.161 8.035 0.126 25177 606 1 2 . 1 1 37 37 ALA N N 37 121.980 121.980 120.958 1.022 25177 607 1 2 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.127 0.063 25177 608 1 2 . 1 1 37 37 ALA C C 37 180.126 180.126 179.699 0.427 25177 609 1 2 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.801 0.239 25177 610 1 2 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.351 -0.751 25177 611 1 2 . 1 1 37 37 ALA H H 37 7.887 7.887 7.982 -0.095 25177 612 1 2 . 1 1 38 38 PHE N N 38 121.517 121.517 119.613 1.904 25177 613 1 2 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.180 0.013 25177 614 1 2 . 1 1 38 38 PHE C C 38 177.044 177.044 177.936 -0.892 25177 615 1 2 . 1 1 38 38 PHE CA C 38 61.485 61.485 61.561 -0.076 25177 616 1 2 . 1 1 38 38 PHE CB C 38 39.077 39.077 39.123 -0.046 25177 617 1 2 . 1 1 38 38 PHE H H 38 7.751 7.751 8.255 -0.504 25177 618 1 2 . 1 1 39 39 GLU N N 39 118.815 118.815 117.776 1.039 25177 619 1 2 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.891 -0.253 25177 620 1 2 . 1 1 39 39 GLU C C 39 179.591 179.591 178.868 0.723 25177 621 1 2 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.652 0.769 25177 622 1 2 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.094 0.768 25177 623 1 2 . 1 1 39 39 GLU H H 39 8.746 8.746 8.607 0.139 25177 624 1 2 . 1 1 40 40 SER N N 40 115.384 115.384 115.602 -0.218 25177 625 1 2 . 1 1 40 40 SER HA H 40 4.176 4.176 4.216 -0.040 25177 626 1 2 . 1 1 40 40 SER C C 40 177.354 177.354 176.817 0.537 25177 627 1 2 . 1 1 40 40 SER CA C 40 61.771 61.771 61.339 0.432 25177 628 1 2 . 1 1 40 40 SER CB C 40 62.786 62.786 63.097 -0.311 25177 629 1 2 . 1 1 40 40 SER H H 40 8.171 8.171 8.173 -0.002 25177 630 1 2 . 1 1 41 41 GLU N N 41 123.650 123.650 121.054 2.596 25177 631 1 2 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.207 -0.134 25177 632 1 2 . 1 1 41 41 GLU C C 41 179.360 179.360 178.556 0.804 25177 633 1 2 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.845 0.665 25177 634 1 2 . 1 1 41 41 GLU CB C 41 29.521 29.521 29.976 -0.455 25177 635 1 2 . 1 1 41 41 GLU H H 41 7.819 7.819 7.936 -0.117 25177 636 1 2 . 1 1 42 42 LEU N N 42 119.352 119.352 117.998 1.354 25177 637 1 2 . 1 1 42 42 LEU HA H 42 3.767 3.767 3.488 0.279 25177 638 1 2 . 1 1 42 42 LEU C C 42 179.152 179.152 178.344 0.808 25177 639 1 2 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.221 -0.258 25177 640 1 2 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.052 -0.560 25177 641 1 2 . 1 1 42 42 LEU H H 42 7.816 7.816 7.923 -0.107 25177 642 1 2 . 1 1 43 43 GLN N N 43 118.423 118.423 117.282 1.141 25177 643 1 2 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.015 -0.057 25177 644 1 2 . 1 1 43 43 GLN C C 43 177.081 177.081 177.326 -0.245 25177 645 1 2 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.970 0.195 25177 646 1 2 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.274 -0.067 25177 647 1 2 . 1 1 43 43 GLN H H 43 7.785 7.785 8.119 -0.334 25177 648 1 2 . 1 1 44 44 ALA N N 44 120.300 120.300 120.507 -0.207 25177 649 1 2 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.284 -0.123 25177 650 1 2 . 1 1 44 44 ALA C C 44 177.823 177.823 178.468 -0.645 25177 651 1 2 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.295 -0.139 25177 652 1 2 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.250 0.175 25177 653 1 2 . 1 1 44 44 ALA H H 44 7.380 7.380 7.605 -0.225 25177 654 1 2 . 1 1 45 45 TYR N N 45 118.887 118.887 118.467 0.420 25177 655 1 2 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.158 0.215 25177 656 1 2 . 1 1 45 45 TYR C C 45 176.018 176.018 176.282 -0.264 25177 657 1 2 . 1 1 45 45 TYR CA C 45 58.749 58.749 59.488 -0.739 25177 658 1 2 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.316 0.480 25177 659 1 2 . 1 1 45 45 TYR H H 45 7.438 7.438 7.479 -0.041 25177 660 1 2 . 1 1 46 46 LYS N N 46 124.177 124.177 115.542 8.635 25177 661 1 2 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.008 0.178 25177 662 1 2 . 1 1 46 46 LYS C C 46 176.900 176.900 176.823 0.077 25177 663 1 2 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.726 -0.008 25177 664 1 2 . 1 1 46 46 LYS CB C 46 32.774 32.774 30.442 2.332 25177 665 1 2 . 1 1 46 46 LYS H H 46 7.884 7.884 8.261 -0.377 25177 666 1 2 . 1 1 47 47 GLY N N 47 109.590 109.590 107.199 2.391 25177 667 1 2 . 1 1 47 47 GLY C C 47 174.029 174.029 174.102 -0.073 25177 668 1 2 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.505 1.092 25177 669 1 2 . 1 1 47 47 GLY H H 47 7.662 7.662 8.633 -0.971 25177 670 1 2 . 1 1 48 48 LYS N N 48 120.521 120.521 118.599 1.922 25177 671 1 2 . 1 1 48 48 LYS HA H 48 3.921 3.921 3.859 0.062 25177 672 1 2 . 1 1 48 48 LYS C C 48 177.262 177.262 176.279 0.983 25177 673 1 2 . 1 1 48 48 LYS CA C 48 56.345 56.345 56.758 -0.413 25177 674 1 2 . 1 1 48 48 LYS CB C 48 32.878 32.878 31.309 1.569 25177 675 1 2 . 1 1 48 48 LYS H H 48 8.049 8.049 8.253 -0.204 25177 676 1 2 . 1 1 49 49 GLY N N 49 110.678 110.678 105.018 5.660 25177 677 1 2 . 1 1 49 49 GLY C C 49 173.842 173.842 174.308 -0.466 25177 678 1 2 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.366 0.219 25177 679 1 2 . 1 1 49 49 GLY H H 49 8.604 8.604 8.420 0.184 25177 680 1 2 . 1 1 50 50 ASN N N 50 120.298 120.298 118.701 1.597 25177 681 1 2 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.710 0.246 25177 682 1 2 . 1 1 50 50 ASN C C 50 177.904 177.904 175.529 2.375 25177 683 1 2 . 1 1 50 50 ASN CA C 50 51.649 51.649 52.207 -0.558 25177 684 1 2 . 1 1 50 50 ASN CB C 50 38.943 38.943 39.334 -0.391 25177 685 1 2 . 1 1 50 50 ASN H H 50 8.045 8.045 7.765 0.280 25177 686 1 2 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.315 -0.043 25177 687 1 2 . 1 1 51 51 PRO C C 51 178.931 178.931 177.901 1.030 25177 688 1 2 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.818 0.291 25177 689 1 2 . 1 1 51 51 PRO CB C 51 31.834 31.834 31.988 -0.154 25177 690 1 2 . 1 1 52 52 GLU N N 52 119.291 119.291 117.929 1.362 25177 691 1 2 . 1 1 52 52 GLU HA H 52 4.059 4.059 4.045 0.014 25177 692 1 2 . 1 1 52 52 GLU C C 52 178.805 178.805 178.464 0.341 25177 693 1 2 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.407 -0.234 25177 694 1 2 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.392 0.292 25177 695 1 2 . 1 1 52 52 GLU H H 52 8.344 8.344 8.670 -0.326 25177 696 1 2 . 1 1 53 53 VAL N N 53 120.013 120.013 118.576 1.437 25177 697 1 2 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.896 -0.394 25177 698 1 2 . 1 1 53 53 VAL C C 53 177.587 177.587 178.000 -0.413 25177 699 1 2 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.171 0.775 25177 700 1 2 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.297 0.178 25177 701 1 2 . 1 1 53 53 VAL H H 53 7.304 7.304 7.478 -0.174 25177 702 1 2 . 1 1 54 54 GLU N N 54 119.848 119.848 121.359 -1.511 25177 703 1 2 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.073 -0.025 25177 704 1 2 . 1 1 54 54 GLU C C 54 178.910 178.910 178.665 0.245 25177 705 1 2 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.794 -0.937 25177 706 1 2 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.053 -0.354 25177 707 1 2 . 1 1 54 54 GLU H H 54 7.820 7.820 7.406 0.414 25177 708 1 2 . 1 1 55 55 ALA N N 55 121.463 121.463 122.148 -0.685 25177 709 1 2 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.190 -0.045 25177 710 1 2 . 1 1 55 55 ALA C C 55 180.920 180.920 179.835 1.085 25177 711 1 2 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.245 0.014 25177 712 1 2 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.495 -0.695 25177 713 1 2 . 1 1 55 55 ALA H H 55 7.701 7.701 7.916 -0.215 25177 714 1 2 . 1 1 56 56 LEU N N 56 120.343 120.343 118.726 1.617 25177 715 1 2 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.944 0.201 25177 716 1 2 . 1 1 56 56 LEU C C 56 178.721 178.721 179.467 -0.746 25177 717 1 2 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.029 -0.130 25177 718 1 2 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.634 0.564 25177 719 1 2 . 1 1 56 56 LEU H H 56 7.656 7.656 7.666 -0.010 25177 720 1 2 . 1 1 57 57 ARG N N 57 119.950 119.950 118.403 1.547 25177 721 1 2 . 1 1 57 57 ARG HA H 57 3.821 3.821 4.066 -0.245 25177 722 1 2 . 1 1 57 57 ARG C C 57 179.667 179.667 178.844 0.823 25177 723 1 2 . 1 1 57 57 ARG CA C 57 60.187 60.187 58.542 1.645 25177 724 1 2 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.512 -0.327 25177 725 1 2 . 1 1 57 57 ARG H H 57 8.350 8.350 8.180 0.170 25177 726 1 2 . 1 1 58 58 LYS N N 58 120.501 120.501 120.833 -0.332 25177 727 1 2 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.054 -0.024 25177 728 1 2 . 1 1 58 58 LYS C C 58 179.448 179.448 179.054 0.394 25177 729 1 2 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.545 0.033 25177 730 1 2 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.224 0.145 25177 731 1 2 . 1 1 58 58 LYS H H 58 7.989 7.989 8.187 -0.198 25177 732 1 2 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.947 0.197 25177 733 1 2 . 1 1 59 59 GLU C C 59 178.877 178.877 178.858 0.019 25177 734 1 2 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.608 -0.188 25177 735 1 2 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.505 -0.272 25177 736 1 2 . 1 1 59 59 GLU H H 59 7.891 7.891 8.122 -0.231 25177 737 1 2 . 1 1 60 60 ALA N N 60 122.069 122.069 121.807 0.262 25177 738 1 2 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.955 -0.019 25177 739 1 2 . 1 1 60 60 ALA C C 60 178.379 178.379 179.641 -1.262 25177 740 1 2 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.094 -0.200 25177 741 1 2 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.089 -0.561 25177 742 1 2 . 1 1 60 60 ALA H H 60 8.480 8.480 8.111 0.369 25177 743 1 2 . 1 1 61 61 ALA N N 61 121.446 121.446 121.298 0.148 25177 744 1 2 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.983 0.162 25177 745 1 2 . 1 1 61 61 ALA C C 61 178.579 178.579 179.406 -0.827 25177 746 1 2 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.932 0.508 25177 747 1 2 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.433 -0.267 25177 748 1 2 . 1 1 61 61 ALA H H 61 7.702 7.702 8.040 -0.338 25177 749 1 2 . 1 1 62 62 ALA N N 62 119.705 119.705 121.905 -2.200 25177 750 1 2 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.136 -0.104 25177 751 1 2 . 1 1 62 62 ALA C C 62 180.829 180.829 179.739 1.090 25177 752 1 2 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.868 -0.073 25177 753 1 2 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.442 -0.770 25177 754 1 2 . 1 1 62 62 ALA H H 62 7.818 7.818 7.783 0.035 25177 755 1 2 . 1 1 63 63 ILE N N 63 121.021 121.021 119.399 1.622 25177 756 1 2 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.643 0.208 25177 757 1 2 . 1 1 63 63 ILE C C 63 178.076 178.076 177.860 0.216 25177 758 1 2 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.354 -0.666 25177 759 1 2 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.483 0.472 25177 760 1 2 . 1 1 63 63 ILE H H 63 7.876 7.876 8.105 -0.229 25177 761 1 2 . 1 1 64 64 ARG N N 64 121.460 121.460 120.595 0.865 25177 762 1 2 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.826 0.065 25177 763 1 2 . 1 1 64 64 ARG C C 64 178.617 178.617 177.997 0.620 25177 764 1 2 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.819 0.508 25177 765 1 2 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.770 -0.448 25177 766 1 2 . 1 1 64 64 ARG H H 64 8.023 8.023 8.180 -0.157 25177 767 1 2 . 1 1 65 65 ASP N N 65 119.343 119.343 119.426 -0.083 25177 768 1 2 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.327 0.058 25177 769 1 2 . 1 1 65 65 ASP C C 65 178.827 178.827 178.754 0.073 25177 770 1 2 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.307 0.006 25177 771 1 2 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.028 0.335 25177 772 1 2 . 1 1 65 65 ASP H H 65 8.046 8.046 8.173 -0.127 25177 773 1 2 . 1 1 66 66 GLU N N 66 121.291 121.291 119.819 1.472 25177 774 1 2 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.627 0.411 25177 775 1 2 . 1 1 66 66 GLU C C 66 178.410 178.410 178.547 -0.137 25177 776 1 2 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.050 -0.157 25177 777 1 2 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.363 0.113 25177 778 1 2 . 1 1 66 66 GLU H H 66 7.931 7.931 7.973 -0.042 25177 779 1 2 . 1 1 67 67 CYS N N 67 117.825 117.825 117.694 0.131 25177 780 1 2 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.094 0.105 25177 781 1 2 . 1 1 67 67 CYS C C 67 176.095 176.095 177.109 -1.014 25177 782 1 2 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.570 -3.086 25177 783 1 2 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.277 -0.266 25177 784 1 2 . 1 1 67 67 CYS H H 67 8.009 8.009 8.109 -0.100 25177 785 1 2 . 1 1 68 68 GLN N N 68 118.847 118.847 118.119 0.728 25177 786 1 2 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.074 0.043 25177 787 1 2 . 1 1 68 68 GLN C C 68 177.110 177.110 177.589 -0.479 25177 788 1 2 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.338 -0.884 25177 789 1 2 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.535 -0.187 25177 790 1 2 . 1 1 68 68 GLN H H 68 7.906 7.906 7.948 -0.042 25177 791 1 2 . 1 1 69 69 ALA N N 69 122.260 122.260 118.996 3.264 25177 792 1 2 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.189 -0.086 25177 793 1 2 . 1 1 69 69 ALA C C 69 178.367 178.367 178.128 0.239 25177 794 1 2 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.401 0.281 25177 795 1 2 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.530 -0.334 25177 796 1 2 . 1 1 69 69 ALA H H 69 7.648 7.648 7.487 0.161 25177 797 1 2 . 1 1 70 70 TYR N N 70 117.039 117.039 117.005 0.034 25177 798 1 2 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.571 -0.161 25177 799 1 2 . 1 1 70 70 TYR C C 70 176.061 176.061 177.015 -0.954 25177 800 1 2 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.688 -0.232 25177 801 1 2 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.708 -1.497 25177 802 1 2 . 1 1 70 70 TYR H H 70 7.541 7.541 7.244 0.297 25177 803 1 2 . 1 1 71 71 ARG N N 71 120.503 120.503 118.453 2.050 25177 804 1 2 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.589 -0.345 25177 805 1 2 . 1 1 71 71 ARG C C 71 175.759 175.759 175.662 0.097 25177 806 1 2 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.169 -0.149 25177 807 1 2 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.619 0.010 25177 808 1 2 . 1 1 71 71 ARG H H 71 7.541 7.541 7.843 -0.302 25177 809 1 2 . 1 1 72 72 HIS N N 72 120.119 120.119 116.392 3.727 25177 810 1 2 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.642 0.022 25177 811 1 2 . 1 1 72 72 HIS C C 72 173.738 173.738 173.115 0.623 25177 812 1 2 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.541 -1.148 25177 813 1 2 . 1 1 72 72 HIS CB C 72 29.761 29.761 30.043 -0.282 25177 814 1 2 . 1 1 72 72 HIS H H 72 8.126 8.126 8.176 -0.050 25177 815 1 3 . 1 1 3 3 SER HA H 3 4.362 4.362 4.797 -0.435 25177 816 1 3 . 1 1 3 3 SER C C 3 176.187 176.187 174.661 1.526 25177 817 1 3 . 1 1 3 3 SER CA C 3 55.064 55.064 57.373 -2.309 25177 818 1 3 . 1 1 3 3 SER CB C 3 61.154 61.154 63.152 -1.998 25177 819 1 3 . 1 1 4 4 TRP N N 4 122.487 122.487 124.507 -2.020 25177 820 1 3 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.422 0.110 25177 821 1 3 . 1 1 4 4 TRP C C 4 177.481 177.481 176.208 1.273 25177 822 1 3 . 1 1 4 4 TRP CA C 4 59.541 59.541 61.530 -1.989 25177 823 1 3 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.892 -0.335 25177 824 1 3 . 1 1 4 4 TRP H H 4 8.287 8.287 7.686 0.601 25177 825 1 3 . 1 1 5 5 ALA N N 5 121.306 121.306 121.390 -0.084 25177 826 1 3 . 1 1 5 5 ALA HA H 5 3.882 3.882 4.024 -0.142 25177 827 1 3 . 1 1 5 5 ALA C C 5 180.462 180.462 179.722 0.740 25177 828 1 3 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.750 -0.352 25177 829 1 3 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.936 0.093 25177 830 1 3 . 1 1 5 5 ALA H H 5 8.287 8.287 8.682 -0.395 25177 831 1 3 . 1 1 6 6 GLU N N 6 118.841 118.841 119.123 -0.282 25177 832 1 3 . 1 1 6 6 GLU HA H 6 4.062 4.062 3.992 0.070 25177 833 1 3 . 1 1 6 6 GLU C C 6 179.425 179.425 179.026 0.399 25177 834 1 3 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.312 -0.070 25177 835 1 3 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.463 -0.246 25177 836 1 3 . 1 1 6 6 GLU H H 6 7.805 7.805 8.406 -0.601 25177 837 1 3 . 1 1 7 7 PHE N N 7 120.314 120.314 118.912 1.402 25177 838 1 3 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.200 0.165 25177 839 1 3 . 1 1 7 7 PHE C C 7 178.168 178.168 177.810 0.358 25177 840 1 3 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.809 -0.409 25177 841 1 3 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.871 0.303 25177 842 1 3 . 1 1 7 7 PHE H H 7 7.950 7.950 7.686 0.264 25177 843 1 3 . 1 1 8 8 LYS N N 8 119.370 119.370 119.288 0.082 25177 844 1 3 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.815 -0.008 25177 845 1 3 . 1 1 8 8 LYS C C 8 179.501 179.501 178.853 0.648 25177 846 1 3 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.664 0.438 25177 847 1 3 . 1 1 8 8 LYS CB C 8 31.793 31.793 32.085 -0.292 25177 848 1 3 . 1 1 8 8 LYS H H 8 8.214 8.214 8.157 0.057 25177 849 1 3 . 1 1 9 9 GLN N N 9 120.219 120.219 118.775 1.444 25177 850 1 3 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.958 0.117 25177 851 1 3 . 1 1 9 9 GLN C C 9 178.818 178.818 178.542 0.276 25177 852 1 3 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.377 -0.779 25177 853 1 3 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.788 -0.688 25177 854 1 3 . 1 1 9 9 GLN H H 9 7.859 7.859 8.078 -0.219 25177 855 1 3 . 1 1 10 10 ARG N N 10 122.005 122.005 119.808 2.197 25177 856 1 3 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.887 0.166 25177 857 1 3 . 1 1 10 10 ARG C C 10 179.057 179.057 178.899 0.158 25177 858 1 3 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.449 -0.374 25177 859 1 3 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.768 0.767 25177 860 1 3 . 1 1 10 10 ARG H H 10 8.135 8.135 8.007 0.128 25177 861 1 3 . 1 1 11 11 LEU N N 11 120.796 120.796 119.662 1.134 25177 862 1 3 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.777 -0.136 25177 863 1 3 . 1 1 11 11 LEU C C 11 177.921 177.921 178.414 -0.493 25177 864 1 3 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.773 -0.547 25177 865 1 3 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.467 -0.863 25177 866 1 3 . 1 1 11 11 LEU H H 11 8.066 8.066 8.067 -0.001 25177 867 1 3 . 1 1 12 12 ALA N N 12 121.596 121.596 121.564 0.032 25177 868 1 3 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.904 0.109 25177 869 1 3 . 1 1 12 12 ALA C C 12 180.299 180.299 179.495 0.804 25177 870 1 3 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.271 -0.216 25177 871 1 3 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.903 -0.472 25177 872 1 3 . 1 1 12 12 ALA H H 12 7.670 7.670 8.087 -0.417 25177 873 1 3 . 1 1 13 13 ALA N N 13 121.486 121.486 121.433 0.053 25177 874 1 3 . 1 1 13 13 ALA HA H 13 4.162 4.162 4.020 0.142 25177 875 1 3 . 1 1 13 13 ALA C C 13 180.732 180.732 179.529 1.203 25177 876 1 3 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.858 0.023 25177 877 1 3 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.445 -0.628 25177 878 1 3 . 1 1 13 13 ALA H H 13 7.601 7.601 7.850 -0.249 25177 879 1 3 . 1 1 14 14 ILE N N 14 121.912 121.912 118.411 3.501 25177 880 1 3 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.011 0.663 25177 881 1 3 . 1 1 14 14 ILE C C 14 177.883 177.883 178.044 -0.161 25177 882 1 3 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.239 0.582 25177 883 1 3 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.196 0.882 25177 884 1 3 . 1 1 14 14 ILE H H 14 7.843 7.843 8.000 -0.157 25177 885 1 3 . 1 1 15 15 LYS N N 15 121.705 121.705 120.528 1.177 25177 886 1 3 . 1 1 15 15 LYS HA H 15 3.837 3.837 4.068 -0.231 25177 887 1 3 . 1 1 15 15 LYS C C 15 178.896 178.896 179.116 -0.220 25177 888 1 3 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.244 0.194 25177 889 1 3 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.468 -0.350 25177 890 1 3 . 1 1 15 15 LYS H H 15 8.439 8.439 8.189 0.250 25177 891 1 3 . 1 1 16 16 THR N N 16 115.218 115.218 116.959 -1.741 25177 892 1 3 . 1 1 16 16 THR HA H 16 3.919 3.919 3.984 -0.065 25177 893 1 3 . 1 1 16 16 THR C C 16 176.872 176.872 177.007 -0.135 25177 894 1 3 . 1 1 16 16 THR CA C 16 66.297 66.297 67.312 -1.015 25177 895 1 3 . 1 1 16 16 THR CB C 16 69.045 69.045 68.646 0.399 25177 896 1 3 . 1 1 16 16 THR H H 16 7.936 7.936 8.199 -0.263 25177 897 1 3 . 1 1 17 17 ARG N N 17 122.508 122.508 121.423 1.085 25177 898 1 3 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.131 -0.112 25177 899 1 3 . 1 1 17 17 ARG C C 17 178.281 178.281 178.706 -0.425 25177 900 1 3 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.521 -0.551 25177 901 1 3 . 1 1 17 17 ARG CB C 17 30.138 30.138 30.096 0.042 25177 902 1 3 . 1 1 17 17 ARG H H 17 7.781 7.781 8.267 -0.486 25177 903 1 3 . 1 1 18 18 CYS N N 18 119.296 119.296 117.797 1.499 25177 904 1 3 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.295 -0.821 25177 905 1 3 . 1 1 18 18 CYS C C 18 176.151 176.151 176.312 -0.161 25177 906 1 3 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.777 -0.422 25177 907 1 3 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.594 -1.022 25177 908 1 3 . 1 1 18 18 CYS H H 18 8.158 8.158 8.162 -0.004 25177 909 1 3 . 1 1 19 19 GLN N N 19 116.825 116.825 118.136 -1.311 25177 910 1 3 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.240 -0.200 25177 911 1 3 . 1 1 19 19 GLN C C 19 176.178 176.178 177.807 -1.629 25177 912 1 3 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.529 -1.150 25177 913 1 3 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.122 -0.838 25177 914 1 3 . 1 1 19 19 GLN H H 19 7.523 7.523 7.892 -0.369 25177 915 1 3 . 1 1 20 20 ALA N N 20 121.265 121.265 119.807 1.458 25177 916 1 3 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.246 0.115 25177 917 1 3 . 1 1 20 20 ALA C C 20 177.491 177.491 177.929 -0.438 25177 918 1 3 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.731 -0.861 25177 919 1 3 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.667 -0.476 25177 920 1 3 . 1 1 20 20 ALA H H 20 7.322 7.322 7.845 -0.523 25177 921 1 3 . 1 1 21 21 LEU N N 21 120.570 120.570 116.580 3.990 25177 922 1 3 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.900 0.130 25177 923 1 3 . 1 1 21 21 LEU C C 21 177.889 177.889 177.041 0.848 25177 924 1 3 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.249 0.711 25177 925 1 3 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.252 3.236 25177 926 1 3 . 1 1 21 21 LEU H H 21 7.200 7.200 7.810 -0.610 25177 927 1 3 . 1 1 22 22 GLY N N 22 109.881 109.881 104.189 5.692 25177 928 1 3 . 1 1 22 22 GLY C C 22 174.896 174.896 175.347 -0.451 25177 929 1 3 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.569 0.993 25177 930 1 3 . 1 1 22 22 GLY H H 22 8.454 8.454 7.984 0.470 25177 931 1 3 . 1 1 23 23 GLY N N 23 107.014 107.014 109.765 -2.751 25177 932 1 3 . 1 1 23 23 GLY C C 23 174.347 174.347 174.200 0.147 25177 933 1 3 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.806 -0.292 25177 934 1 3 . 1 1 23 23 GLY H H 23 7.759 7.759 8.157 -0.398 25177 935 1 3 . 1 1 24 24 SER N N 24 116.572 116.572 113.391 3.181 25177 936 1 3 . 1 1 24 24 SER HA H 24 4.519 4.519 4.497 0.022 25177 937 1 3 . 1 1 24 24 SER C C 24 175.184 175.184 173.761 1.423 25177 938 1 3 . 1 1 24 24 SER CA C 24 57.853 57.853 57.824 0.029 25177 939 1 3 . 1 1 24 24 SER CB C 24 64.487 64.487 64.596 -0.109 25177 940 1 3 . 1 1 24 24 SER H H 24 8.096 8.096 7.775 0.321 25177 941 1 3 . 1 1 25 25 GLU N N 25 126.083 126.083 126.299 -0.216 25177 942 1 3 . 1 1 25 25 GLU HA H 25 3.853 3.853 3.998 -0.145 25177 943 1 3 . 1 1 25 25 GLU C C 25 178.773 178.773 176.986 1.787 25177 944 1 3 . 1 1 25 25 GLU CA C 25 59.974 59.974 59.202 0.772 25177 945 1 3 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.249 -0.067 25177 946 1 3 . 1 1 25 25 GLU H H 25 9.042 9.042 8.766 0.276 25177 947 1 3 . 1 1 26 26 ALA N N 26 121.614 121.614 121.704 -0.090 25177 948 1 3 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.323 -0.176 25177 949 1 3 . 1 1 26 26 ALA C C 26 180.987 180.987 179.530 1.457 25177 950 1 3 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.633 1.358 25177 951 1 3 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.460 -0.361 25177 952 1 3 . 1 1 26 26 ALA H H 26 8.514 8.514 7.944 0.570 25177 953 1 3 . 1 1 27 27 GLU N N 27 119.564 119.564 120.173 -0.609 25177 954 1 3 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.952 0.159 25177 955 1 3 . 1 1 27 27 GLU C C 27 179.198 179.198 178.650 0.548 25177 956 1 3 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.135 -0.309 25177 957 1 3 . 1 1 27 27 GLU CB C 27 29.958 29.958 29.031 0.927 25177 958 1 3 . 1 1 27 27 GLU H H 27 7.757 7.757 8.549 -0.792 25177 959 1 3 . 1 1 28 28 CYS N N 28 120.060 120.060 117.378 2.682 25177 960 1 3 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.903 0.228 25177 961 1 3 . 1 1 28 28 CYS C C 28 176.521 176.521 176.882 -0.361 25177 962 1 3 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.908 -0.197 25177 963 1 3 . 1 1 28 28 CYS CB C 28 26.601 26.601 26.762 -0.161 25177 964 1 3 . 1 1 28 28 CYS H H 28 8.145 8.145 7.770 0.375 25177 965 1 3 . 1 1 29 29 ALA N N 29 122.930 122.930 122.423 0.507 25177 966 1 3 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.964 0.246 25177 967 1 3 . 1 1 29 29 ALA C C 29 179.659 179.659 179.028 0.631 25177 968 1 3 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.295 -0.401 25177 969 1 3 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.983 -0.282 25177 970 1 3 . 1 1 29 29 ALA H H 29 8.342 8.342 7.888 0.454 25177 971 1 3 . 1 1 30 30 ALA N N 30 121.235 121.235 121.149 0.086 25177 972 1 3 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.078 0.147 25177 973 1 3 . 1 1 30 30 ALA C C 30 180.452 180.452 179.802 0.650 25177 974 1 3 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.881 0.079 25177 975 1 3 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.238 -0.488 25177 976 1 3 . 1 1 30 30 ALA H H 30 7.676 7.676 7.699 -0.023 25177 977 1 3 . 1 1 31 31 PHE N N 31 121.297 121.297 119.164 2.133 25177 978 1 3 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.158 0.183 25177 979 1 3 . 1 1 31 31 PHE C C 31 177.355 177.355 177.838 -0.483 25177 980 1 3 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.100 0.919 25177 981 1 3 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.532 0.781 25177 982 1 3 . 1 1 31 31 PHE H H 31 8.086 8.086 8.161 -0.075 25177 983 1 3 . 1 1 32 32 GLU N N 32 119.861 119.861 120.112 -0.251 25177 984 1 3 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.893 -0.109 25177 985 1 3 . 1 1 32 32 GLU C C 32 178.906 178.906 178.814 0.092 25177 986 1 3 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.036 -0.092 25177 987 1 3 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.471 -0.528 25177 988 1 3 . 1 1 32 32 GLU H H 32 8.417 8.417 8.314 0.103 25177 989 1 3 . 1 1 33 33 LYS N N 33 118.133 118.133 119.243 -1.110 25177 990 1 3 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.925 0.119 25177 991 1 3 . 1 1 33 33 LYS C C 33 179.471 179.471 178.908 0.563 25177 992 1 3 . 1 1 33 33 LYS CA C 33 59.397 59.397 60.006 -0.609 25177 993 1 3 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.364 -0.133 25177 994 1 3 . 1 1 33 33 LYS H H 33 7.491 7.491 7.885 -0.394 25177 995 1 3 . 1 1 34 34 GLU N N 34 121.763 121.763 119.821 1.942 25177 996 1 3 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.976 0.141 25177 997 1 3 . 1 1 34 34 GLU C C 34 179.955 179.955 179.151 0.804 25177 998 1 3 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.465 0.051 25177 999 1 3 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.492 -0.029 25177 1000 1 3 . 1 1 34 34 GLU H H 34 7.699 7.699 7.922 -0.223 25177 1001 1 3 . 1 1 35 35 ILE N N 35 121.167 121.167 119.266 1.901 25177 1002 1 3 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.609 0.174 25177 1003 1 3 . 1 1 35 35 ILE C C 35 177.219 177.219 178.087 -0.868 25177 1004 1 3 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.969 -0.008 25177 1005 1 3 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.681 0.975 25177 1006 1 3 . 1 1 35 35 ILE H H 35 8.120 8.120 7.993 0.127 25177 1007 1 3 . 1 1 36 36 ALA N N 36 124.132 124.132 123.048 1.084 25177 1008 1 3 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.246 0.100 25177 1009 1 3 . 1 1 36 36 ALA C C 36 180.915 180.915 179.764 1.151 25177 1010 1 3 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.074 -0.070 25177 1011 1 3 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.229 -0.469 25177 1012 1 3 . 1 1 36 36 ALA H H 36 8.161 8.161 8.071 0.090 25177 1013 1 3 . 1 1 37 37 ALA N N 37 121.980 121.980 121.098 0.882 25177 1014 1 3 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.237 -0.047 25177 1015 1 3 . 1 1 37 37 ALA C C 37 180.126 180.126 179.836 0.290 25177 1016 1 3 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.414 0.626 25177 1017 1 3 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.479 -0.879 25177 1018 1 3 . 1 1 37 37 ALA H H 37 7.887 7.887 7.988 -0.101 25177 1019 1 3 . 1 1 38 38 PHE N N 38 121.517 121.517 119.467 2.050 25177 1020 1 3 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.198 -0.005 25177 1021 1 3 . 1 1 38 38 PHE C C 38 177.044 177.044 177.773 -0.729 25177 1022 1 3 . 1 1 38 38 PHE CA C 38 61.485 61.485 62.016 -0.531 25177 1023 1 3 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.991 0.086 25177 1024 1 3 . 1 1 38 38 PHE H H 38 7.751 7.751 8.303 -0.552 25177 1025 1 3 . 1 1 39 39 GLU N N 39 118.815 118.815 118.333 0.482 25177 1026 1 3 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.946 -0.308 25177 1027 1 3 . 1 1 39 39 GLU C C 39 179.591 179.591 178.881 0.710 25177 1028 1 3 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.577 0.844 25177 1029 1 3 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.217 0.645 25177 1030 1 3 . 1 1 39 39 GLU H H 39 8.746 8.746 8.577 0.169 25177 1031 1 3 . 1 1 40 40 SER N N 40 115.384 115.384 115.527 -0.143 25177 1032 1 3 . 1 1 40 40 SER HA H 40 4.176 4.176 4.216 -0.040 25177 1033 1 3 . 1 1 40 40 SER C C 40 177.354 177.354 177.058 0.296 25177 1034 1 3 . 1 1 40 40 SER CA C 40 61.771 61.771 61.158 0.612 25177 1035 1 3 . 1 1 40 40 SER CB C 40 62.786 62.786 63.139 -0.353 25177 1036 1 3 . 1 1 40 40 SER H H 40 8.171 8.171 8.187 -0.016 25177 1037 1 3 . 1 1 41 41 GLU N N 41 123.650 123.650 121.212 2.438 25177 1038 1 3 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.139 -0.066 25177 1039 1 3 . 1 1 41 41 GLU C C 41 179.360 179.360 178.021 1.339 25177 1040 1 3 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.329 1.181 25177 1041 1 3 . 1 1 41 41 GLU CB C 41 29.521 29.521 29.929 -0.408 25177 1042 1 3 . 1 1 41 41 GLU H H 41 7.819 7.819 7.979 -0.160 25177 1043 1 3 . 1 1 42 42 LEU N N 42 119.352 119.352 117.952 1.400 25177 1044 1 3 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.223 -0.456 25177 1045 1 3 . 1 1 42 42 LEU C C 42 179.152 179.152 178.517 0.635 25177 1046 1 3 . 1 1 42 42 LEU CA C 42 56.964 56.964 56.694 0.270 25177 1047 1 3 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.478 -0.986 25177 1048 1 3 . 1 1 42 42 LEU H H 42 7.816 7.816 7.930 -0.114 25177 1049 1 3 . 1 1 43 43 GLN N N 43 118.423 118.423 118.269 0.154 25177 1050 1 3 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.163 -0.205 25177 1051 1 3 . 1 1 43 43 GLN C C 43 177.081 177.081 176.930 0.151 25177 1052 1 3 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.804 0.361 25177 1053 1 3 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.318 -0.111 25177 1054 1 3 . 1 1 43 43 GLN H H 43 7.785 7.785 8.078 -0.293 25177 1055 1 3 . 1 1 44 44 ALA N N 44 120.300 120.300 120.490 -0.190 25177 1056 1 3 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.161 -0.000 25177 1057 1 3 . 1 1 44 44 ALA C C 44 177.823 177.823 178.605 -0.782 25177 1058 1 3 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.002 0.154 25177 1059 1 3 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.623 -0.198 25177 1060 1 3 . 1 1 44 44 ALA H H 44 7.380 7.380 7.727 -0.347 25177 1061 1 3 . 1 1 45 45 TYR N N 45 118.887 118.887 119.157 -0.270 25177 1062 1 3 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.069 0.304 25177 1063 1 3 . 1 1 45 45 TYR C C 45 176.018 176.018 177.316 -1.298 25177 1064 1 3 . 1 1 45 45 TYR CA C 45 58.749 58.749 61.260 -2.511 25177 1065 1 3 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.611 0.186 25177 1066 1 3 . 1 1 45 45 TYR H H 45 7.438 7.438 7.406 0.032 25177 1067 1 3 . 1 1 46 46 LYS N N 46 124.177 124.177 114.083 10.094 25177 1068 1 3 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.264 -0.078 25177 1069 1 3 . 1 1 46 46 LYS C C 46 176.900 176.900 177.367 -0.467 25177 1070 1 3 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.612 0.106 25177 1071 1 3 . 1 1 46 46 LYS CB C 46 32.774 32.774 33.475 -0.701 25177 1072 1 3 . 1 1 46 46 LYS H H 46 7.884 7.884 7.971 -0.087 25177 1073 1 3 . 1 1 47 47 GLY N N 47 109.590 109.590 108.211 1.379 25177 1074 1 3 . 1 1 47 47 GLY C C 47 174.029 174.029 175.060 -1.031 25177 1075 1 3 . 1 1 47 47 GLY CA C 47 45.597 45.597 46.761 -1.165 25177 1076 1 3 . 1 1 47 47 GLY H H 47 7.662 7.662 9.180 -1.518 25177 1077 1 3 . 1 1 48 48 LYS N N 48 120.521 120.521 121.981 -1.460 25177 1078 1 3 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.161 -0.240 25177 1079 1 3 . 1 1 48 48 LYS C C 48 177.262 177.262 178.704 -1.442 25177 1080 1 3 . 1 1 48 48 LYS CA C 48 56.345 56.345 58.817 -2.472 25177 1081 1 3 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.149 0.729 25177 1082 1 3 . 1 1 48 48 LYS H H 48 8.049 8.049 7.531 0.518 25177 1083 1 3 . 1 1 49 49 GLY N N 49 110.678 110.678 106.359 4.319 25177 1084 1 3 . 1 1 49 49 GLY C C 49 173.842 173.842 173.995 -0.153 25177 1085 1 3 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.956 -0.371 25177 1086 1 3 . 1 1 49 49 GLY H H 49 8.604 8.604 8.295 0.309 25177 1087 1 3 . 1 1 50 50 ASN N N 50 120.298 120.298 116.068 4.230 25177 1088 1 3 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.979 -0.023 25177 1089 1 3 . 1 1 50 50 ASN C C 50 177.904 177.904 174.123 3.781 25177 1090 1 3 . 1 1 50 50 ASN CA C 50 51.649 51.649 50.189 1.460 25177 1091 1 3 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.167 0.776 25177 1092 1 3 . 1 1 50 50 ASN H H 50 8.045 8.045 7.899 0.146 25177 1093 1 3 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.479 -0.207 25177 1094 1 3 . 1 1 51 51 PRO C C 51 178.931 178.931 178.133 0.798 25177 1095 1 3 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.315 0.794 25177 1096 1 3 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.003 -0.169 25177 1097 1 3 . 1 1 52 52 GLU N N 52 119.291 119.291 118.421 0.870 25177 1098 1 3 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.985 0.074 25177 1099 1 3 . 1 1 52 52 GLU C C 52 178.805 178.805 178.000 0.805 25177 1100 1 3 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.035 0.138 25177 1101 1 3 . 1 1 52 52 GLU CB C 52 28.685 28.685 27.725 0.960 25177 1102 1 3 . 1 1 52 52 GLU H H 52 8.344 8.344 8.583 -0.239 25177 1103 1 3 . 1 1 53 53 VAL N N 53 120.013 120.013 120.621 -0.608 25177 1104 1 3 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.926 -0.424 25177 1105 1 3 . 1 1 53 53 VAL C C 53 177.587 177.587 177.546 0.041 25177 1106 1 3 . 1 1 53 53 VAL CA C 53 65.946 65.946 64.592 1.354 25177 1107 1 3 . 1 1 53 53 VAL CB C 53 31.475 31.475 30.575 0.900 25177 1108 1 3 . 1 1 53 53 VAL H H 53 7.304 7.304 7.581 -0.277 25177 1109 1 3 . 1 1 54 54 GLU N N 54 119.848 119.848 120.767 -0.919 25177 1110 1 3 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.949 0.099 25177 1111 1 3 . 1 1 54 54 GLU C C 54 178.910 178.910 178.584 0.326 25177 1112 1 3 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.789 -0.932 25177 1113 1 3 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.861 -0.162 25177 1114 1 3 . 1 1 54 54 GLU H H 54 7.820 7.820 8.584 -0.764 25177 1115 1 3 . 1 1 55 55 ALA N N 55 121.463 121.463 122.582 -1.119 25177 1116 1 3 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.195 -0.050 25177 1117 1 3 . 1 1 55 55 ALA C C 55 180.920 180.920 179.706 1.214 25177 1118 1 3 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.981 0.278 25177 1119 1 3 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.492 -0.692 25177 1120 1 3 . 1 1 55 55 ALA H H 55 7.701 7.701 7.925 -0.224 25177 1121 1 3 . 1 1 56 56 LEU N N 56 120.343 120.343 120.185 0.158 25177 1122 1 3 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.948 0.197 25177 1123 1 3 . 1 1 56 56 LEU C C 56 178.721 178.721 178.857 -0.136 25177 1124 1 3 . 1 1 56 56 LEU CA C 56 57.899 57.899 57.850 0.049 25177 1125 1 3 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.275 0.923 25177 1126 1 3 . 1 1 56 56 LEU H H 56 7.656 7.656 7.933 -0.277 25177 1127 1 3 . 1 1 57 57 ARG N N 57 119.950 119.950 119.222 0.728 25177 1128 1 3 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.915 -0.094 25177 1129 1 3 . 1 1 57 57 ARG C C 57 179.667 179.667 178.425 1.242 25177 1130 1 3 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.412 0.775 25177 1131 1 3 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.859 -0.674 25177 1132 1 3 . 1 1 57 57 ARG H H 57 8.350 8.350 8.696 -0.346 25177 1133 1 3 . 1 1 58 58 LYS N N 58 120.501 120.501 119.860 0.641 25177 1134 1 3 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.020 0.010 25177 1135 1 3 . 1 1 58 58 LYS C C 58 179.448 179.448 179.107 0.341 25177 1136 1 3 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.786 -0.208 25177 1137 1 3 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.139 0.230 25177 1138 1 3 . 1 1 58 58 LYS H H 58 7.989 7.989 8.012 -0.023 25177 1139 1 3 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.991 0.153 25177 1140 1 3 . 1 1 59 59 GLU C C 59 178.877 178.877 179.029 -0.152 25177 1141 1 3 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.274 0.145 25177 1142 1 3 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.244 -0.011 25177 1143 1 3 . 1 1 59 59 GLU H H 59 7.891 7.891 8.083 -0.192 25177 1144 1 3 . 1 1 60 60 ALA N N 60 122.069 122.069 121.699 0.370 25177 1145 1 3 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.979 -0.043 25177 1146 1 3 . 1 1 60 60 ALA C C 60 178.379 178.379 179.706 -1.327 25177 1147 1 3 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.213 -0.319 25177 1148 1 3 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.187 -0.659 25177 1149 1 3 . 1 1 60 60 ALA H H 60 8.480 8.480 8.078 0.402 25177 1150 1 3 . 1 1 61 61 ALA N N 61 121.446 121.446 121.018 0.428 25177 1151 1 3 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.941 0.204 25177 1152 1 3 . 1 1 61 61 ALA C C 61 178.579 178.579 179.262 -0.683 25177 1153 1 3 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.862 0.578 25177 1154 1 3 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.431 -0.265 25177 1155 1 3 . 1 1 61 61 ALA H H 61 7.702 7.702 8.038 -0.336 25177 1156 1 3 . 1 1 62 62 ALA N N 62 119.705 119.705 121.810 -2.105 25177 1157 1 3 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.003 0.029 25177 1158 1 3 . 1 1 62 62 ALA C C 62 180.829 180.829 179.672 1.157 25177 1159 1 3 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.880 -0.085 25177 1160 1 3 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.477 -0.805 25177 1161 1 3 . 1 1 62 62 ALA H H 62 7.818 7.818 7.775 0.043 25177 1162 1 3 . 1 1 63 63 ILE N N 63 121.021 121.021 119.675 1.346 25177 1163 1 3 . 1 1 63 63 ILE HA H 63 3.851 3.851 4.060 -0.209 25177 1164 1 3 . 1 1 63 63 ILE C C 63 178.076 178.076 177.999 0.077 25177 1165 1 3 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.453 -0.765 25177 1166 1 3 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.561 0.394 25177 1167 1 3 . 1 1 63 63 ILE H H 63 7.876 7.876 8.063 -0.187 25177 1168 1 3 . 1 1 64 64 ARG N N 64 121.460 121.460 120.834 0.626 25177 1169 1 3 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.996 -0.105 25177 1170 1 3 . 1 1 64 64 ARG C C 64 178.617 178.617 178.435 0.182 25177 1171 1 3 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.860 0.467 25177 1172 1 3 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.933 -0.611 25177 1173 1 3 . 1 1 64 64 ARG H H 64 8.023 8.023 8.092 -0.069 25177 1174 1 3 . 1 1 65 65 ASP N N 65 119.343 119.343 119.170 0.173 25177 1175 1 3 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.314 0.071 25177 1176 1 3 . 1 1 65 65 ASP C C 65 178.827 178.827 178.727 0.100 25177 1177 1 3 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.440 -0.127 25177 1178 1 3 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.319 0.044 25177 1179 1 3 . 1 1 65 65 ASP H H 65 8.046 8.046 8.134 -0.088 25177 1180 1 3 . 1 1 66 66 GLU N N 66 121.291 121.291 120.353 0.938 25177 1181 1 3 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.644 0.394 25177 1182 1 3 . 1 1 66 66 GLU C C 66 178.410 178.410 178.539 -0.129 25177 1183 1 3 . 1 1 66 66 GLU CA C 66 58.893 58.893 58.969 -0.076 25177 1184 1 3 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.383 0.093 25177 1185 1 3 . 1 1 66 66 GLU H H 66 7.931 7.931 7.940 -0.009 25177 1186 1 3 . 1 1 67 67 CYS N N 67 117.825 117.825 117.687 0.138 25177 1187 1 3 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.051 0.148 25177 1188 1 3 . 1 1 67 67 CYS C C 67 176.095 176.095 176.944 -0.849 25177 1189 1 3 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.505 -3.020 25177 1190 1 3 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.611 -0.600 25177 1191 1 3 . 1 1 67 67 CYS H H 67 8.009 8.009 8.037 -0.028 25177 1192 1 3 . 1 1 68 68 GLN N N 68 118.847 118.847 118.038 0.809 25177 1193 1 3 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.060 0.057 25177 1194 1 3 . 1 1 68 68 GLN C C 68 177.110 177.110 177.174 -0.064 25177 1195 1 3 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.452 -0.998 25177 1196 1 3 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.488 -0.140 25177 1197 1 3 . 1 1 68 68 GLN H H 68 7.906 7.906 7.893 0.013 25177 1198 1 3 . 1 1 69 69 ALA N N 69 122.260 122.260 119.016 3.244 25177 1199 1 3 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.185 -0.082 25177 1200 1 3 . 1 1 69 69 ALA C C 69 178.367 178.367 178.143 0.224 25177 1201 1 3 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.453 0.230 25177 1202 1 3 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.453 -0.257 25177 1203 1 3 . 1 1 69 69 ALA H H 69 7.648 7.648 7.495 0.153 25177 1204 1 3 . 1 1 70 70 TYR N N 70 117.039 117.039 117.881 -0.842 25177 1205 1 3 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.512 -0.102 25177 1206 1 3 . 1 1 70 70 TYR C C 70 176.061 176.061 177.100 -1.039 25177 1207 1 3 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.845 -0.389 25177 1208 1 3 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.480 -1.269 25177 1209 1 3 . 1 1 70 70 TYR H H 70 7.541 7.541 7.316 0.225 25177 1210 1 3 . 1 1 71 71 ARG N N 71 120.503 120.503 116.736 3.767 25177 1211 1 3 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.618 -0.374 25177 1212 1 3 . 1 1 71 71 ARG C C 71 175.759 175.759 175.812 -0.053 25177 1213 1 3 . 1 1 71 71 ARG CA C 71 56.020 56.020 55.934 0.086 25177 1214 1 3 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.662 -0.033 25177 1215 1 3 . 1 1 71 71 ARG H H 71 7.541 7.541 7.737 -0.196 25177 1216 1 3 . 1 1 72 72 HIS N N 72 120.119 120.119 116.102 4.017 25177 1217 1 3 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.573 0.091 25177 1218 1 3 . 1 1 72 72 HIS C C 72 173.738 173.738 173.369 0.369 25177 1219 1 3 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.451 -1.058 25177 1220 1 3 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.620 0.141 25177 1221 1 3 . 1 1 72 72 HIS H H 72 8.126 8.126 8.325 -0.199 25177 1222 1 4 . 1 1 3 3 SER HA H 3 4.362 4.362 4.823 -0.461 25177 1223 1 4 . 1 1 3 3 SER C C 3 176.187 176.187 174.564 1.623 25177 1224 1 4 . 1 1 3 3 SER CA C 3 55.064 55.064 57.947 -2.883 25177 1225 1 4 . 1 1 3 3 SER CB C 3 61.154 61.154 63.208 -2.054 25177 1226 1 4 . 1 1 4 4 TRP N N 4 122.487 122.487 125.142 -2.655 25177 1227 1 4 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.402 0.130 25177 1228 1 4 . 1 1 4 4 TRP C C 4 177.481 177.481 176.197 1.284 25177 1229 1 4 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.785 -1.244 25177 1230 1 4 . 1 1 4 4 TRP CB C 4 29.557 29.557 30.006 -0.449 25177 1231 1 4 . 1 1 4 4 TRP H H 4 8.287 8.287 7.710 0.577 25177 1232 1 4 . 1 1 5 5 ALA N N 5 121.306 121.306 121.221 0.085 25177 1233 1 4 . 1 1 5 5 ALA HA H 5 3.882 3.882 4.083 -0.201 25177 1234 1 4 . 1 1 5 5 ALA C C 5 180.462 180.462 179.808 0.654 25177 1235 1 4 . 1 1 5 5 ALA CA C 5 55.398 55.398 56.058 -0.660 25177 1236 1 4 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.808 0.220 25177 1237 1 4 . 1 1 5 5 ALA H H 5 8.287 8.287 8.641 -0.354 25177 1238 1 4 . 1 1 6 6 GLU N N 6 118.841 118.841 118.528 0.313 25177 1239 1 4 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.129 -0.067 25177 1240 1 4 . 1 1 6 6 GLU C C 6 179.425 179.425 179.138 0.287 25177 1241 1 4 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.399 -0.157 25177 1242 1 4 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.386 -0.169 25177 1243 1 4 . 1 1 6 6 GLU H H 6 7.805 7.805 8.489 -0.684 25177 1244 1 4 . 1 1 7 7 PHE N N 7 120.314 120.314 120.066 0.248 25177 1245 1 4 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.479 -0.114 25177 1246 1 4 . 1 1 7 7 PHE C C 7 178.168 178.168 178.140 0.028 25177 1247 1 4 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.357 0.043 25177 1248 1 4 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.693 0.481 25177 1249 1 4 . 1 1 7 7 PHE H H 7 7.950 7.950 7.727 0.223 25177 1250 1 4 . 1 1 8 8 LYS N N 8 119.370 119.370 119.605 -0.235 25177 1251 1 4 . 1 1 8 8 LYS HA H 8 3.807 3.807 4.019 -0.212 25177 1252 1 4 . 1 1 8 8 LYS C C 8 179.501 179.501 179.343 0.158 25177 1253 1 4 . 1 1 8 8 LYS CA C 8 60.102 60.102 58.517 1.585 25177 1254 1 4 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.651 0.142 25177 1255 1 4 . 1 1 8 8 LYS H H 8 8.214 8.214 8.504 -0.290 25177 1256 1 4 . 1 1 9 9 GLN N N 9 120.219 120.219 119.300 0.919 25177 1257 1 4 . 1 1 9 9 GLN HA H 9 4.075 4.075 4.037 0.038 25177 1258 1 4 . 1 1 9 9 GLN C C 9 178.818 178.818 178.184 0.634 25177 1259 1 4 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.206 -0.608 25177 1260 1 4 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.738 -0.638 25177 1261 1 4 . 1 1 9 9 GLN H H 9 7.859 7.859 8.471 -0.612 25177 1262 1 4 . 1 1 10 10 ARG N N 10 122.005 122.005 119.624 2.381 25177 1263 1 4 . 1 1 10 10 ARG HA H 10 4.053 4.053 4.011 0.042 25177 1264 1 4 . 1 1 10 10 ARG C C 10 179.057 179.057 178.658 0.399 25177 1265 1 4 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.040 0.035 25177 1266 1 4 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.875 0.660 25177 1267 1 4 . 1 1 10 10 ARG H H 10 8.135 8.135 7.995 0.140 25177 1268 1 4 . 1 1 11 11 LEU N N 11 120.796 120.796 119.231 1.565 25177 1269 1 4 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.829 -0.188 25177 1270 1 4 . 1 1 11 11 LEU C C 11 177.921 177.921 178.623 -0.702 25177 1271 1 4 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.514 -0.288 25177 1272 1 4 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.584 -0.980 25177 1273 1 4 . 1 1 11 11 LEU H H 11 8.066 8.066 7.956 0.110 25177 1274 1 4 . 1 1 12 12 ALA N N 12 121.596 121.596 121.638 -0.042 25177 1275 1 4 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.890 0.123 25177 1276 1 4 . 1 1 12 12 ALA C C 12 180.299 180.299 179.343 0.956 25177 1277 1 4 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.142 -0.086 25177 1278 1 4 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.867 -0.436 25177 1279 1 4 . 1 1 12 12 ALA H H 12 7.670 7.670 8.142 -0.472 25177 1280 1 4 . 1 1 13 13 ALA N N 13 121.486 121.486 121.435 0.051 25177 1281 1 4 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.986 0.176 25177 1282 1 4 . 1 1 13 13 ALA C C 13 180.732 180.732 179.506 1.226 25177 1283 1 4 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.993 -0.112 25177 1284 1 4 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.254 -0.438 25177 1285 1 4 . 1 1 13 13 ALA H H 13 7.601 7.601 7.837 -0.236 25177 1286 1 4 . 1 1 14 14 ILE N N 14 121.912 121.912 118.467 3.445 25177 1287 1 4 . 1 1 14 14 ILE HA H 14 3.674 3.674 2.957 0.717 25177 1288 1 4 . 1 1 14 14 ILE C C 14 177.883 177.883 177.743 0.140 25177 1289 1 4 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.033 0.788 25177 1290 1 4 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.465 0.613 25177 1291 1 4 . 1 1 14 14 ILE H H 14 7.843 7.843 8.052 -0.209 25177 1292 1 4 . 1 1 15 15 LYS N N 15 121.705 121.705 120.125 1.580 25177 1293 1 4 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.765 0.072 25177 1294 1 4 . 1 1 15 15 LYS C C 15 178.896 178.896 178.895 0.001 25177 1295 1 4 . 1 1 15 15 LYS CA C 15 60.438 60.438 59.988 0.450 25177 1296 1 4 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.227 -0.110 25177 1297 1 4 . 1 1 15 15 LYS H H 15 8.439 8.439 8.009 0.430 25177 1298 1 4 . 1 1 16 16 THR N N 16 115.218 115.218 116.365 -1.147 25177 1299 1 4 . 1 1 16 16 THR HA H 16 3.919 3.919 3.933 -0.014 25177 1300 1 4 . 1 1 16 16 THR C C 16 176.872 176.872 176.976 -0.104 25177 1301 1 4 . 1 1 16 16 THR CA C 16 66.297 66.297 67.130 -0.833 25177 1302 1 4 . 1 1 16 16 THR CB C 16 69.045 69.045 68.577 0.468 25177 1303 1 4 . 1 1 16 16 THR H H 16 7.936 7.936 8.024 -0.088 25177 1304 1 4 . 1 1 17 17 ARG N N 17 122.508 122.508 120.802 1.706 25177 1305 1 4 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.067 -0.048 25177 1306 1 4 . 1 1 17 17 ARG C C 17 178.281 178.281 178.670 -0.389 25177 1307 1 4 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.489 -0.519 25177 1308 1 4 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.786 0.352 25177 1309 1 4 . 1 1 17 17 ARG H H 17 7.781 7.781 8.061 -0.280 25177 1310 1 4 . 1 1 18 18 CYS N N 18 119.296 119.296 117.484 1.812 25177 1311 1 4 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.190 -0.716 25177 1312 1 4 . 1 1 18 18 CYS C C 18 176.151 176.151 176.159 -0.008 25177 1313 1 4 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.242 0.113 25177 1314 1 4 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.507 -0.935 25177 1315 1 4 . 1 1 18 18 CYS H H 18 8.158 8.158 7.644 0.514 25177 1316 1 4 . 1 1 19 19 GLN N N 19 116.825 116.825 118.467 -1.642 25177 1317 1 4 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.154 -0.114 25177 1318 1 4 . 1 1 19 19 GLN C C 19 176.178 176.178 177.441 -1.263 25177 1319 1 4 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.265 -0.886 25177 1320 1 4 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.131 -0.847 25177 1321 1 4 . 1 1 19 19 GLN H H 19 7.523 7.523 7.774 -0.251 25177 1322 1 4 . 1 1 20 20 ALA N N 20 121.265 121.265 119.943 1.322 25177 1323 1 4 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.219 0.142 25177 1324 1 4 . 1 1 20 20 ALA C C 20 177.491 177.491 177.902 -0.411 25177 1325 1 4 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.760 -0.890 25177 1326 1 4 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.597 -0.406 25177 1327 1 4 . 1 1 20 20 ALA H H 20 7.322 7.322 7.753 -0.431 25177 1328 1 4 . 1 1 21 21 LEU N N 21 120.570 120.570 116.156 4.414 25177 1329 1 4 . 1 1 21 21 LEU HA H 21 4.030 4.030 4.004 0.026 25177 1330 1 4 . 1 1 21 21 LEU C C 21 177.889 177.889 176.925 0.964 25177 1331 1 4 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.626 0.334 25177 1332 1 4 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.485 3.003 25177 1333 1 4 . 1 1 21 21 LEU H H 21 7.200 7.200 8.047 -0.847 25177 1334 1 4 . 1 1 22 22 GLY N N 22 109.881 109.881 104.117 5.764 25177 1335 1 4 . 1 1 22 22 GLY C C 22 174.896 174.896 175.603 -0.707 25177 1336 1 4 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.965 0.598 25177 1337 1 4 . 1 1 22 22 GLY H H 22 8.454 8.454 7.972 0.482 25177 1338 1 4 . 1 1 23 23 GLY N N 23 107.014 107.014 109.487 -2.473 25177 1339 1 4 . 1 1 23 23 GLY C C 23 174.347 174.347 174.317 0.030 25177 1340 1 4 . 1 1 23 23 GLY CA C 23 45.514 45.514 46.438 -0.923 25177 1341 1 4 . 1 1 23 23 GLY H H 23 7.759 7.759 8.461 -0.702 25177 1342 1 4 . 1 1 24 24 SER N N 24 116.572 116.572 113.731 2.841 25177 1343 1 4 . 1 1 24 24 SER HA H 24 4.519 4.519 4.459 0.060 25177 1344 1 4 . 1 1 24 24 SER C C 24 175.184 175.184 173.539 1.645 25177 1345 1 4 . 1 1 24 24 SER CA C 24 57.853 57.853 58.316 -0.463 25177 1346 1 4 . 1 1 24 24 SER CB C 24 64.487 64.487 64.482 0.005 25177 1347 1 4 . 1 1 24 24 SER H H 24 8.096 8.096 7.657 0.439 25177 1348 1 4 . 1 1 25 25 GLU N N 25 126.083 126.083 126.518 -0.435 25177 1349 1 4 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.001 -0.148 25177 1350 1 4 . 1 1 25 25 GLU C C 25 178.773 178.773 177.298 1.475 25177 1351 1 4 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.931 1.043 25177 1352 1 4 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.473 -0.291 25177 1353 1 4 . 1 1 25 25 GLU H H 25 9.042 9.042 8.928 0.114 25177 1354 1 4 . 1 1 26 26 ALA N N 26 121.614 121.614 121.220 0.394 25177 1355 1 4 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.233 -0.086 25177 1356 1 4 . 1 1 26 26 ALA C C 26 180.987 180.987 179.747 1.240 25177 1357 1 4 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.816 1.175 25177 1358 1 4 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.196 -0.097 25177 1359 1 4 . 1 1 26 26 ALA H H 26 8.514 8.514 7.988 0.526 25177 1360 1 4 . 1 1 27 27 GLU N N 27 119.564 119.564 120.110 -0.546 25177 1361 1 4 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.658 0.453 25177 1362 1 4 . 1 1 27 27 GLU C C 27 179.198 179.198 178.205 0.993 25177 1363 1 4 . 1 1 27 27 GLU CA C 27 58.826 58.826 58.984 -0.158 25177 1364 1 4 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.900 1.058 25177 1365 1 4 . 1 1 27 27 GLU H H 27 7.757 7.757 7.639 0.118 25177 1366 1 4 . 1 1 28 28 CYS N N 28 120.060 120.060 117.354 2.706 25177 1367 1 4 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.226 -0.095 25177 1368 1 4 . 1 1 28 28 CYS C C 28 176.521 176.521 176.896 -0.375 25177 1369 1 4 . 1 1 28 28 CYS CA C 28 63.711 63.711 64.019 -0.308 25177 1370 1 4 . 1 1 28 28 CYS CB C 28 26.601 26.601 26.841 -0.240 25177 1371 1 4 . 1 1 28 28 CYS H H 28 8.145 8.145 7.554 0.591 25177 1372 1 4 . 1 1 29 29 ALA N N 29 122.930 122.930 122.604 0.326 25177 1373 1 4 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.993 0.217 25177 1374 1 4 . 1 1 29 29 ALA C C 29 179.659 179.659 178.858 0.801 25177 1375 1 4 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.106 -0.212 25177 1376 1 4 . 1 1 29 29 ALA CB C 29 17.701 17.701 18.132 -0.431 25177 1377 1 4 . 1 1 29 29 ALA H H 29 8.342 8.342 7.847 0.495 25177 1378 1 4 . 1 1 30 30 ALA N N 30 121.235 121.235 121.210 0.025 25177 1379 1 4 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.931 0.294 25177 1380 1 4 . 1 1 30 30 ALA C C 30 180.452 180.452 179.655 0.797 25177 1381 1 4 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.770 0.190 25177 1382 1 4 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.011 -0.262 25177 1383 1 4 . 1 1 30 30 ALA H H 30 7.676 7.676 7.440 0.236 25177 1384 1 4 . 1 1 31 31 PHE N N 31 121.297 121.297 118.514 2.783 25177 1385 1 4 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.251 0.090 25177 1386 1 4 . 1 1 31 31 PHE C C 31 177.355 177.355 178.191 -0.836 25177 1387 1 4 . 1 1 31 31 PHE CA C 31 61.019 61.019 59.420 1.599 25177 1388 1 4 . 1 1 31 31 PHE CB C 31 39.314 39.314 37.909 1.405 25177 1389 1 4 . 1 1 31 31 PHE H H 31 8.086 8.086 7.763 0.323 25177 1390 1 4 . 1 1 32 32 GLU N N 32 119.861 119.861 120.273 -0.412 25177 1391 1 4 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.879 -0.095 25177 1392 1 4 . 1 1 32 32 GLU C C 32 178.906 178.906 178.979 -0.073 25177 1393 1 4 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.251 -0.307 25177 1394 1 4 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.544 -0.601 25177 1395 1 4 . 1 1 32 32 GLU H H 32 8.417 8.417 8.200 0.217 25177 1396 1 4 . 1 1 33 33 LYS N N 33 118.133 118.133 119.169 -1.036 25177 1397 1 4 . 1 1 33 33 LYS HA H 33 4.044 4.044 4.049 -0.005 25177 1398 1 4 . 1 1 33 33 LYS C C 33 179.471 179.471 179.007 0.464 25177 1399 1 4 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.176 0.221 25177 1400 1 4 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.299 -0.068 25177 1401 1 4 . 1 1 33 33 LYS H H 33 7.491 7.491 7.913 -0.422 25177 1402 1 4 . 1 1 34 34 GLU N N 34 121.763 121.763 120.349 1.414 25177 1403 1 4 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.947 0.170 25177 1404 1 4 . 1 1 34 34 GLU C C 34 179.955 179.955 179.328 0.627 25177 1405 1 4 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.499 0.017 25177 1406 1 4 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.513 -0.050 25177 1407 1 4 . 1 1 34 34 GLU H H 34 7.699 7.699 8.229 -0.530 25177 1408 1 4 . 1 1 35 35 ILE N N 35 121.167 121.167 119.306 1.861 25177 1409 1 4 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.716 0.067 25177 1410 1 4 . 1 1 35 35 ILE C C 35 177.219 177.219 178.054 -0.835 25177 1411 1 4 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.904 0.057 25177 1412 1 4 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.739 0.917 25177 1413 1 4 . 1 1 35 35 ILE H H 35 8.120 8.120 8.457 -0.337 25177 1414 1 4 . 1 1 36 36 ALA N N 36 124.132 124.132 123.183 0.949 25177 1415 1 4 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.143 0.203 25177 1416 1 4 . 1 1 36 36 ALA C C 36 180.915 180.915 179.632 1.283 25177 1417 1 4 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.224 -0.220 25177 1418 1 4 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.076 -0.316 25177 1419 1 4 . 1 1 36 36 ALA H H 36 8.161 8.161 7.963 0.198 25177 1420 1 4 . 1 1 37 37 ALA N N 37 121.980 121.980 120.843 1.137 25177 1421 1 4 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.168 0.022 25177 1422 1 4 . 1 1 37 37 ALA C C 37 180.126 180.126 179.683 0.443 25177 1423 1 4 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.796 0.244 25177 1424 1 4 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.387 -0.787 25177 1425 1 4 . 1 1 37 37 ALA H H 37 7.887 7.887 8.028 -0.141 25177 1426 1 4 . 1 1 38 38 PHE N N 38 121.517 121.517 119.451 2.066 25177 1427 1 4 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.078 0.115 25177 1428 1 4 . 1 1 38 38 PHE C C 38 177.044 177.044 177.586 -0.542 25177 1429 1 4 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.820 0.665 25177 1430 1 4 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.995 0.082 25177 1431 1 4 . 1 1 38 38 PHE H H 38 7.751 7.751 8.251 -0.500 25177 1432 1 4 . 1 1 39 39 GLU N N 39 118.815 118.815 118.188 0.627 25177 1433 1 4 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.880 -0.242 25177 1434 1 4 . 1 1 39 39 GLU C C 39 179.591 179.591 178.797 0.794 25177 1435 1 4 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.669 0.752 25177 1436 1 4 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.066 0.796 25177 1437 1 4 . 1 1 39 39 GLU H H 39 8.746 8.746 8.738 0.008 25177 1438 1 4 . 1 1 40 40 SER N N 40 115.384 115.384 115.867 -0.483 25177 1439 1 4 . 1 1 40 40 SER HA H 40 4.176 4.176 4.225 -0.049 25177 1440 1 4 . 1 1 40 40 SER C C 40 177.354 177.354 176.752 0.602 25177 1441 1 4 . 1 1 40 40 SER CA C 40 61.771 61.771 61.068 0.703 25177 1442 1 4 . 1 1 40 40 SER CB C 40 62.786 62.786 63.009 -0.223 25177 1443 1 4 . 1 1 40 40 SER H H 40 8.171 8.171 8.081 0.090 25177 1444 1 4 . 1 1 41 41 GLU N N 41 123.650 123.650 120.764 2.886 25177 1445 1 4 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.245 -0.172 25177 1446 1 4 . 1 1 41 41 GLU C C 41 179.360 179.360 179.077 0.283 25177 1447 1 4 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.722 0.788 25177 1448 1 4 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.250 -0.730 25177 1449 1 4 . 1 1 41 41 GLU H H 41 7.819 7.819 7.900 -0.081 25177 1450 1 4 . 1 1 42 42 LEU N N 42 119.352 119.352 119.461 -0.109 25177 1451 1 4 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.139 -0.372 25177 1452 1 4 . 1 1 42 42 LEU C C 42 179.152 179.152 178.908 0.244 25177 1453 1 4 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.689 -0.725 25177 1454 1 4 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.107 -0.615 25177 1455 1 4 . 1 1 42 42 LEU H H 42 7.816 7.816 8.121 -0.305 25177 1456 1 4 . 1 1 43 43 GLN N N 43 118.423 118.423 117.768 0.655 25177 1457 1 4 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.054 -0.096 25177 1458 1 4 . 1 1 43 43 GLN C C 43 177.081 177.081 176.810 0.271 25177 1459 1 4 . 1 1 43 43 GLN CA C 43 58.165 58.165 58.237 -0.072 25177 1460 1 4 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.113 0.095 25177 1461 1 4 . 1 1 43 43 GLN H H 43 7.785 7.785 8.104 -0.319 25177 1462 1 4 . 1 1 44 44 ALA N N 44 120.300 120.300 119.320 0.980 25177 1463 1 4 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.221 -0.060 25177 1464 1 4 . 1 1 44 44 ALA C C 44 177.823 177.823 177.893 -0.070 25177 1465 1 4 . 1 1 44 44 ALA CA C 44 53.156 53.156 52.711 0.445 25177 1466 1 4 . 1 1 44 44 ALA CB C 44 18.425 18.425 19.219 -0.794 25177 1467 1 4 . 1 1 44 44 ALA H H 44 7.380 7.380 7.400 -0.020 25177 1468 1 4 . 1 1 45 45 TYR N N 45 118.887 118.887 117.880 1.007 25177 1469 1 4 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.290 0.083 25177 1470 1 4 . 1 1 45 45 TYR C C 45 176.018 176.018 176.083 -0.065 25177 1471 1 4 . 1 1 45 45 TYR CA C 45 58.749 58.749 60.194 -1.445 25177 1472 1 4 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.685 0.112 25177 1473 1 4 . 1 1 45 45 TYR H H 45 7.438 7.438 7.452 -0.014 25177 1474 1 4 . 1 1 46 46 LYS N N 46 124.177 124.177 120.415 3.762 25177 1475 1 4 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.117 0.069 25177 1476 1 4 . 1 1 46 46 LYS C C 46 176.900 176.900 176.443 0.457 25177 1477 1 4 . 1 1 46 46 LYS CA C 46 56.718 56.718 57.324 -0.606 25177 1478 1 4 . 1 1 46 46 LYS CB C 46 32.774 32.774 31.623 1.151 25177 1479 1 4 . 1 1 46 46 LYS H H 46 7.884 7.884 7.509 0.375 25177 1480 1 4 . 1 1 47 47 GLY N N 47 109.590 109.590 110.327 -0.737 25177 1481 1 4 . 1 1 47 47 GLY C C 47 174.029 174.029 173.091 0.938 25177 1482 1 4 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.595 1.002 25177 1483 1 4 . 1 1 47 47 GLY H H 47 7.662 7.662 8.194 -0.532 25177 1484 1 4 . 1 1 48 48 LYS N N 48 120.521 120.521 123.781 -3.260 25177 1485 1 4 . 1 1 48 48 LYS HA H 48 3.921 3.921 3.877 0.044 25177 1486 1 4 . 1 1 48 48 LYS C C 48 177.262 177.262 177.129 0.133 25177 1487 1 4 . 1 1 48 48 LYS CA C 48 56.345 56.345 56.247 0.098 25177 1488 1 4 . 1 1 48 48 LYS CB C 48 32.878 32.878 31.851 1.027 25177 1489 1 4 . 1 1 48 48 LYS H H 48 8.049 8.049 8.740 -0.691 25177 1490 1 4 . 1 1 49 49 GLY N N 49 110.678 110.678 106.530 4.148 25177 1491 1 4 . 1 1 49 49 GLY C C 49 173.842 173.842 174.139 -0.297 25177 1492 1 4 . 1 1 49 49 GLY CA C 49 45.585 45.585 44.758 0.827 25177 1493 1 4 . 1 1 49 49 GLY H H 49 8.604 8.604 8.241 0.363 25177 1494 1 4 . 1 1 50 50 ASN N N 50 120.298 120.298 119.517 0.781 25177 1495 1 4 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.462 0.494 25177 1496 1 4 . 1 1 50 50 ASN C C 50 177.904 177.904 174.204 3.700 25177 1497 1 4 . 1 1 50 50 ASN CA C 50 51.649 51.649 52.932 -1.283 25177 1498 1 4 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.130 0.813 25177 1499 1 4 . 1 1 50 50 ASN H H 50 8.045 8.045 8.350 -0.305 25177 1500 1 4 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.317 -0.045 25177 1501 1 4 . 1 1 51 51 PRO C C 51 178.931 178.931 177.811 1.120 25177 1502 1 4 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.713 0.396 25177 1503 1 4 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.068 -0.234 25177 1504 1 4 . 1 1 52 52 GLU N N 52 119.291 119.291 118.696 0.595 25177 1505 1 4 . 1 1 52 52 GLU HA H 52 4.059 4.059 4.348 -0.289 25177 1506 1 4 . 1 1 52 52 GLU C C 52 178.805 178.805 178.602 0.203 25177 1507 1 4 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.251 -0.078 25177 1508 1 4 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.653 0.032 25177 1509 1 4 . 1 1 52 52 GLU H H 52 8.344 8.344 8.743 -0.399 25177 1510 1 4 . 1 1 53 53 VAL N N 53 120.013 120.013 120.199 -0.186 25177 1511 1 4 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.730 -0.228 25177 1512 1 4 . 1 1 53 53 VAL C C 53 177.587 177.587 178.215 -0.628 25177 1513 1 4 . 1 1 53 53 VAL CA C 53 65.946 65.946 64.403 1.543 25177 1514 1 4 . 1 1 53 53 VAL CB C 53 31.475 31.475 30.426 1.049 25177 1515 1 4 . 1 1 53 53 VAL H H 53 7.304 7.304 7.680 -0.376 25177 1516 1 4 . 1 1 54 54 GLU N N 54 119.848 119.848 120.078 -0.230 25177 1517 1 4 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.959 0.089 25177 1518 1 4 . 1 1 54 54 GLU C C 54 178.910 178.910 178.611 0.299 25177 1519 1 4 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.810 -0.953 25177 1520 1 4 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.618 0.081 25177 1521 1 4 . 1 1 54 54 GLU H H 54 7.820 7.820 8.028 -0.208 25177 1522 1 4 . 1 1 55 55 ALA N N 55 121.463 121.463 122.111 -0.648 25177 1523 1 4 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.127 0.018 25177 1524 1 4 . 1 1 55 55 ALA C C 55 180.920 180.920 179.808 1.112 25177 1525 1 4 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.966 0.293 25177 1526 1 4 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.220 -0.420 25177 1527 1 4 . 1 1 55 55 ALA H H 55 7.701 7.701 7.678 0.023 25177 1528 1 4 . 1 1 56 56 LEU N N 56 120.343 120.343 118.979 1.364 25177 1529 1 4 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.742 0.403 25177 1530 1 4 . 1 1 56 56 LEU C C 56 178.721 178.721 179.023 -0.302 25177 1531 1 4 . 1 1 56 56 LEU CA C 56 57.899 57.899 57.964 -0.065 25177 1532 1 4 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.187 1.011 25177 1533 1 4 . 1 1 56 56 LEU H H 56 7.656 7.656 7.380 0.276 25177 1534 1 4 . 1 1 57 57 ARG N N 57 119.950 119.950 118.787 1.163 25177 1535 1 4 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.874 -0.053 25177 1536 1 4 . 1 1 57 57 ARG C C 57 179.667 179.667 178.332 1.335 25177 1537 1 4 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.273 0.914 25177 1538 1 4 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.795 -0.610 25177 1539 1 4 . 1 1 57 57 ARG H H 57 8.350 8.350 8.565 -0.215 25177 1540 1 4 . 1 1 58 58 LYS N N 58 120.501 120.501 119.552 0.949 25177 1541 1 4 . 1 1 58 58 LYS HA H 58 4.030 4.030 3.984 0.046 25177 1542 1 4 . 1 1 58 58 LYS C C 58 179.448 179.448 179.029 0.419 25177 1543 1 4 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.982 -0.404 25177 1544 1 4 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.135 0.234 25177 1545 1 4 . 1 1 58 58 LYS H H 58 7.989 7.989 8.024 -0.035 25177 1546 1 4 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.979 0.165 25177 1547 1 4 . 1 1 59 59 GLU C C 59 178.877 178.877 178.875 0.002 25177 1548 1 4 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.539 -0.120 25177 1549 1 4 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.470 -0.237 25177 1550 1 4 . 1 1 59 59 GLU H H 59 7.891 7.891 8.082 -0.191 25177 1551 1 4 . 1 1 60 60 ALA N N 60 122.069 122.069 121.869 0.200 25177 1552 1 4 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.990 -0.054 25177 1553 1 4 . 1 1 60 60 ALA C C 60 178.379 178.379 179.673 -1.294 25177 1554 1 4 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.156 -0.262 25177 1555 1 4 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.150 -0.622 25177 1556 1 4 . 1 1 60 60 ALA H H 60 8.480 8.480 8.142 0.338 25177 1557 1 4 . 1 1 61 61 ALA N N 61 121.446 121.446 121.508 -0.062 25177 1558 1 4 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.963 0.182 25177 1559 1 4 . 1 1 61 61 ALA C C 61 178.579 178.579 179.351 -0.772 25177 1560 1 4 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.991 0.449 25177 1561 1 4 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.503 -0.337 25177 1562 1 4 . 1 1 61 61 ALA H H 61 7.702 7.702 8.270 -0.568 25177 1563 1 4 . 1 1 62 62 ALA N N 62 119.705 119.705 121.682 -1.977 25177 1564 1 4 . 1 1 62 62 ALA HA H 62 4.032 4.032 3.950 0.082 25177 1565 1 4 . 1 1 62 62 ALA C C 62 180.829 180.829 179.575 1.254 25177 1566 1 4 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.897 -0.102 25177 1567 1 4 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.410 -0.738 25177 1568 1 4 . 1 1 62 62 ALA H H 62 7.818 7.818 7.766 0.052 25177 1569 1 4 . 1 1 63 63 ILE N N 63 121.021 121.021 119.237 1.784 25177 1570 1 4 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.542 0.309 25177 1571 1 4 . 1 1 63 63 ILE C C 63 178.076 178.076 177.926 0.150 25177 1572 1 4 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.576 -0.888 25177 1573 1 4 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.469 0.486 25177 1574 1 4 . 1 1 63 63 ILE H H 63 7.876 7.876 8.062 -0.186 25177 1575 1 4 . 1 1 64 64 ARG N N 64 121.460 121.460 120.236 1.224 25177 1576 1 4 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.874 0.017 25177 1577 1 4 . 1 1 64 64 ARG C C 64 178.617 178.617 178.481 0.136 25177 1578 1 4 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.146 0.181 25177 1579 1 4 . 1 1 64 64 ARG CB C 64 29.322 29.322 30.009 -0.686 25177 1580 1 4 . 1 1 64 64 ARG H H 64 8.023 8.023 8.159 -0.136 25177 1581 1 4 . 1 1 65 65 ASP N N 65 119.343 119.343 119.233 0.110 25177 1582 1 4 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.558 -0.173 25177 1583 1 4 . 1 1 65 65 ASP C C 65 178.827 178.827 178.932 -0.105 25177 1584 1 4 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.026 0.286 25177 1585 1 4 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.159 0.204 25177 1586 1 4 . 1 1 65 65 ASP H H 65 8.046 8.046 8.161 -0.115 25177 1587 1 4 . 1 1 66 66 GLU N N 66 121.291 121.291 119.599 1.692 25177 1588 1 4 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.602 0.436 25177 1589 1 4 . 1 1 66 66 GLU C C 66 178.410 178.410 178.619 -0.209 25177 1590 1 4 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.081 -0.188 25177 1591 1 4 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.412 0.064 25177 1592 1 4 . 1 1 66 66 GLU H H 66 7.931 7.931 7.980 -0.049 25177 1593 1 4 . 1 1 67 67 CYS N N 67 117.825 117.825 117.198 0.627 25177 1594 1 4 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.182 0.017 25177 1595 1 4 . 1 1 67 67 CYS C C 67 176.095 176.095 177.312 -1.217 25177 1596 1 4 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.189 -2.704 25177 1597 1 4 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.050 -0.039 25177 1598 1 4 . 1 1 67 67 CYS H H 67 8.009 8.009 8.160 -0.151 25177 1599 1 4 . 1 1 68 68 GLN N N 68 118.847 118.847 118.893 -0.046 25177 1600 1 4 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.203 -0.086 25177 1601 1 4 . 1 1 68 68 GLN C C 68 177.110 177.110 177.627 -0.517 25177 1602 1 4 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.468 -1.014 25177 1603 1 4 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.520 -0.172 25177 1604 1 4 . 1 1 68 68 GLN H H 68 7.906 7.906 7.914 -0.008 25177 1605 1 4 . 1 1 69 69 ALA N N 69 122.260 122.260 119.031 3.229 25177 1606 1 4 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.183 -0.080 25177 1607 1 4 . 1 1 69 69 ALA C C 69 178.367 178.367 177.943 0.424 25177 1608 1 4 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.325 0.356 25177 1609 1 4 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.499 -0.303 25177 1610 1 4 . 1 1 69 69 ALA H H 69 7.648 7.648 7.479 0.169 25177 1611 1 4 . 1 1 70 70 TYR N N 70 117.039 117.039 116.805 0.234 25177 1612 1 4 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.605 -0.195 25177 1613 1 4 . 1 1 70 70 TYR C C 70 176.061 176.061 176.994 -0.933 25177 1614 1 4 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.624 -0.168 25177 1615 1 4 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.889 -1.679 25177 1616 1 4 . 1 1 70 70 TYR H H 70 7.541 7.541 7.259 0.282 25177 1617 1 4 . 1 1 71 71 ARG N N 71 120.503 120.503 118.351 2.152 25177 1618 1 4 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.557 -0.313 25177 1619 1 4 . 1 1 71 71 ARG C C 71 175.759 175.759 175.390 0.369 25177 1620 1 4 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.285 -0.265 25177 1621 1 4 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.759 -0.130 25177 1622 1 4 . 1 1 71 71 ARG H H 71 7.541 7.541 7.954 -0.413 25177 1623 1 4 . 1 1 72 72 HIS N N 72 120.119 120.119 115.243 4.876 25177 1624 1 4 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.568 0.096 25177 1625 1 4 . 1 1 72 72 HIS C C 72 173.738 173.738 173.121 0.617 25177 1626 1 4 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.134 -0.741 25177 1627 1 4 . 1 1 72 72 HIS CB C 72 29.761 29.761 30.154 -0.393 25177 1628 1 4 . 1 1 72 72 HIS H H 72 8.126 8.126 8.214 -0.088 25177 1629 1 5 . 1 1 3 3 SER HA H 3 4.362 4.362 4.763 -0.401 25177 1630 1 5 . 1 1 3 3 SER C C 3 176.187 176.187 174.611 1.576 25177 1631 1 5 . 1 1 3 3 SER CA C 3 55.064 55.064 57.060 -1.996 25177 1632 1 5 . 1 1 3 3 SER CB C 3 61.154 61.154 63.083 -1.929 25177 1633 1 5 . 1 1 4 4 TRP N N 4 122.487 122.487 123.821 -1.334 25177 1634 1 5 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.417 0.115 25177 1635 1 5 . 1 1 4 4 TRP C C 4 177.481 177.481 176.256 1.225 25177 1636 1 5 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.495 -0.953 25177 1637 1 5 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.914 -0.357 25177 1638 1 5 . 1 1 4 4 TRP H H 4 8.287 8.287 7.710 0.577 25177 1639 1 5 . 1 1 5 5 ALA N N 5 121.306 121.306 121.735 -0.429 25177 1640 1 5 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.921 -0.039 25177 1641 1 5 . 1 1 5 5 ALA C C 5 180.462 180.462 179.542 0.920 25177 1642 1 5 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.727 -0.330 25177 1643 1 5 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.878 0.151 25177 1644 1 5 . 1 1 5 5 ALA H H 5 8.287 8.287 8.538 -0.251 25177 1645 1 5 . 1 1 6 6 GLU N N 6 118.841 118.841 119.073 -0.232 25177 1646 1 5 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.036 0.026 25177 1647 1 5 . 1 1 6 6 GLU C C 6 179.425 179.425 178.941 0.484 25177 1648 1 5 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.623 -0.381 25177 1649 1 5 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.584 -0.367 25177 1650 1 5 . 1 1 6 6 GLU H H 6 7.805 7.805 8.518 -0.713 25177 1651 1 5 . 1 1 7 7 PHE N N 7 120.314 120.314 118.552 1.762 25177 1652 1 5 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.390 -0.025 25177 1653 1 5 . 1 1 7 7 PHE C C 7 178.168 178.168 178.116 0.052 25177 1654 1 5 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.190 0.211 25177 1655 1 5 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.498 0.676 25177 1656 1 5 . 1 1 7 7 PHE H H 7 7.950 7.950 7.768 0.182 25177 1657 1 5 . 1 1 8 8 LYS N N 8 119.370 119.370 119.466 -0.096 25177 1658 1 5 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.767 0.040 25177 1659 1 5 . 1 1 8 8 LYS C C 8 179.501 179.501 179.160 0.341 25177 1660 1 5 . 1 1 8 8 LYS CA C 8 60.102 60.102 58.847 1.255 25177 1661 1 5 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.555 0.238 25177 1662 1 5 . 1 1 8 8 LYS H H 8 8.214 8.214 8.209 0.005 25177 1663 1 5 . 1 1 9 9 GLN N N 9 120.219 120.219 119.198 1.021 25177 1664 1 5 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.986 0.089 25177 1665 1 5 . 1 1 9 9 GLN C C 9 178.818 178.818 178.450 0.368 25177 1666 1 5 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.464 -0.866 25177 1667 1 5 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.806 -0.706 25177 1668 1 5 . 1 1 9 9 GLN H H 9 7.859 7.859 8.134 -0.275 25177 1669 1 5 . 1 1 10 10 ARG N N 10 122.005 122.005 119.705 2.300 25177 1670 1 5 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.950 0.103 25177 1671 1 5 . 1 1 10 10 ARG C C 10 179.057 179.057 178.963 0.094 25177 1672 1 5 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.541 -0.466 25177 1673 1 5 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.860 0.675 25177 1674 1 5 . 1 1 10 10 ARG H H 10 8.135 8.135 8.097 0.038 25177 1675 1 5 . 1 1 11 11 LEU N N 11 120.796 120.796 119.581 1.215 25177 1676 1 5 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.808 -0.167 25177 1677 1 5 . 1 1 11 11 LEU C C 11 177.921 177.921 178.588 -0.667 25177 1678 1 5 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.563 -0.337 25177 1679 1 5 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.556 -0.952 25177 1680 1 5 . 1 1 11 11 LEU H H 11 8.066 8.066 8.124 -0.058 25177 1681 1 5 . 1 1 12 12 ALA N N 12 121.596 121.596 122.093 -0.497 25177 1682 1 5 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.886 0.127 25177 1683 1 5 . 1 1 12 12 ALA C C 12 180.299 180.299 179.323 0.976 25177 1684 1 5 . 1 1 12 12 ALA CA C 12 55.055 55.055 54.995 0.060 25177 1685 1 5 . 1 1 12 12 ALA CB C 12 17.431 17.431 18.082 -0.651 25177 1686 1 5 . 1 1 12 12 ALA H H 12 7.670 7.670 8.053 -0.383 25177 1687 1 5 . 1 1 13 13 ALA N N 13 121.486 121.486 121.388 0.098 25177 1688 1 5 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.966 0.196 25177 1689 1 5 . 1 1 13 13 ALA C C 13 180.732 180.732 179.413 1.319 25177 1690 1 5 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.837 0.044 25177 1691 1 5 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.428 -0.612 25177 1692 1 5 . 1 1 13 13 ALA H H 13 7.601 7.601 7.843 -0.242 25177 1693 1 5 . 1 1 14 14 ILE N N 14 121.912 121.912 118.577 3.335 25177 1694 1 5 . 1 1 14 14 ILE HA H 14 3.674 3.674 2.827 0.847 25177 1695 1 5 . 1 1 14 14 ILE C C 14 177.883 177.883 177.806 0.077 25177 1696 1 5 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.155 0.666 25177 1697 1 5 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.395 0.683 25177 1698 1 5 . 1 1 14 14 ILE H H 14 7.843 7.843 7.978 -0.135 25177 1699 1 5 . 1 1 15 15 LYS N N 15 121.705 121.705 120.007 1.698 25177 1700 1 5 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.823 0.014 25177 1701 1 5 . 1 1 15 15 LYS C C 15 178.896 178.896 178.927 -0.031 25177 1702 1 5 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.017 0.421 25177 1703 1 5 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.298 -0.181 25177 1704 1 5 . 1 1 15 15 LYS H H 15 8.439 8.439 8.012 0.426 25177 1705 1 5 . 1 1 16 16 THR N N 16 115.218 115.218 116.446 -1.228 25177 1706 1 5 . 1 1 16 16 THR HA H 16 3.919 3.919 3.927 -0.008 25177 1707 1 5 . 1 1 16 16 THR C C 16 176.872 176.872 176.989 -0.117 25177 1708 1 5 . 1 1 16 16 THR CA C 16 66.297 66.297 66.453 -0.156 25177 1709 1 5 . 1 1 16 16 THR CB C 16 69.045 69.045 68.230 0.815 25177 1710 1 5 . 1 1 16 16 THR H H 16 7.936 7.936 8.072 -0.136 25177 1711 1 5 . 1 1 17 17 ARG N N 17 122.508 122.508 121.104 1.404 25177 1712 1 5 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.136 -0.117 25177 1713 1 5 . 1 1 17 17 ARG C C 17 178.281 178.281 178.703 -0.422 25177 1714 1 5 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.084 -0.114 25177 1715 1 5 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.789 0.349 25177 1716 1 5 . 1 1 17 17 ARG H H 17 7.781 7.781 8.027 -0.246 25177 1717 1 5 . 1 1 18 18 CYS N N 18 119.296 119.296 117.920 1.376 25177 1718 1 5 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.131 -0.657 25177 1719 1 5 . 1 1 18 18 CYS C C 18 176.151 176.151 176.196 -0.045 25177 1720 1 5 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.770 -0.415 25177 1721 1 5 . 1 1 18 18 CYS CB C 18 26.572 26.572 26.979 -0.407 25177 1722 1 5 . 1 1 18 18 CYS H H 18 8.158 8.158 7.602 0.556 25177 1723 1 5 . 1 1 19 19 GLN N N 19 116.825 116.825 118.494 -1.669 25177 1724 1 5 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.213 -0.173 25177 1725 1 5 . 1 1 19 19 GLN C C 19 176.178 176.178 177.852 -1.674 25177 1726 1 5 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.386 -1.006 25177 1727 1 5 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.081 -0.796 25177 1728 1 5 . 1 1 19 19 GLN H H 19 7.523 7.523 7.833 -0.310 25177 1729 1 5 . 1 1 20 20 ALA N N 20 121.265 121.265 120.150 1.115 25177 1730 1 5 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.205 0.156 25177 1731 1 5 . 1 1 20 20 ALA C C 20 177.491 177.491 177.992 -0.501 25177 1732 1 5 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.940 -1.069 25177 1733 1 5 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.513 -0.322 25177 1734 1 5 . 1 1 20 20 ALA H H 20 7.322 7.322 7.772 -0.450 25177 1735 1 5 . 1 1 21 21 LEU N N 21 120.570 120.570 115.759 4.811 25177 1736 1 5 . 1 1 21 21 LEU HA H 21 4.030 4.030 4.021 0.009 25177 1737 1 5 . 1 1 21 21 LEU C C 21 177.889 177.889 176.885 1.004 25177 1738 1 5 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.409 0.551 25177 1739 1 5 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.122 3.366 25177 1740 1 5 . 1 1 21 21 LEU H H 21 7.200 7.200 8.021 -0.821 25177 1741 1 5 . 1 1 22 22 GLY N N 22 109.881 109.881 104.091 5.790 25177 1742 1 5 . 1 1 22 22 GLY C C 22 174.896 174.896 175.609 -0.713 25177 1743 1 5 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.837 0.725 25177 1744 1 5 . 1 1 22 22 GLY H H 22 8.454 8.454 8.013 0.441 25177 1745 1 5 . 1 1 23 23 GLY N N 23 107.014 107.014 109.867 -2.853 25177 1746 1 5 . 1 1 23 23 GLY C C 23 174.347 174.347 174.276 0.071 25177 1747 1 5 . 1 1 23 23 GLY CA C 23 45.514 45.514 46.538 -1.024 25177 1748 1 5 . 1 1 23 23 GLY H H 23 7.759 7.759 8.360 -0.601 25177 1749 1 5 . 1 1 24 24 SER N N 24 116.572 116.572 114.024 2.548 25177 1750 1 5 . 1 1 24 24 SER HA H 24 4.519 4.519 4.498 0.021 25177 1751 1 5 . 1 1 24 24 SER C C 24 175.184 175.184 173.820 1.364 25177 1752 1 5 . 1 1 24 24 SER CA C 24 57.853 57.853 57.943 -0.090 25177 1753 1 5 . 1 1 24 24 SER CB C 24 64.487 64.487 63.982 0.505 25177 1754 1 5 . 1 1 24 24 SER H H 24 8.096 8.096 7.686 0.410 25177 1755 1 5 . 1 1 25 25 GLU N N 25 126.083 126.083 125.881 0.202 25177 1756 1 5 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.032 -0.179 25177 1757 1 5 . 1 1 25 25 GLU C C 25 178.773 178.773 176.274 2.499 25177 1758 1 5 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.924 1.050 25177 1759 1 5 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.388 -0.206 25177 1760 1 5 . 1 1 25 25 GLU H H 25 9.042 9.042 8.845 0.197 25177 1761 1 5 . 1 1 26 26 ALA N N 26 121.614 121.614 121.124 0.490 25177 1762 1 5 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.271 -0.124 25177 1763 1 5 . 1 1 26 26 ALA C C 26 180.987 180.987 179.849 1.138 25177 1764 1 5 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.543 1.448 25177 1765 1 5 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.588 -0.489 25177 1766 1 5 . 1 1 26 26 ALA H H 26 8.514 8.514 7.850 0.664 25177 1767 1 5 . 1 1 27 27 GLU N N 27 119.564 119.564 120.045 -0.481 25177 1768 1 5 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.695 0.416 25177 1769 1 5 . 1 1 27 27 GLU C C 27 179.198 179.198 178.114 1.084 25177 1770 1 5 . 1 1 27 27 GLU CA C 27 58.826 58.826 58.920 -0.094 25177 1771 1 5 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.612 1.346 25177 1772 1 5 . 1 1 27 27 GLU H H 27 7.757 7.757 7.618 0.139 25177 1773 1 5 . 1 1 28 28 CYS N N 28 120.060 120.060 117.410 2.650 25177 1774 1 5 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.255 -0.124 25177 1775 1 5 . 1 1 28 28 CYS C C 28 176.521 176.521 176.961 -0.440 25177 1776 1 5 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.911 -0.200 25177 1777 1 5 . 1 1 28 28 CYS CB C 28 26.601 26.601 26.862 -0.261 25177 1778 1 5 . 1 1 28 28 CYS H H 28 8.145 8.145 7.568 0.577 25177 1779 1 5 . 1 1 29 29 ALA N N 29 122.930 122.930 122.462 0.468 25177 1780 1 5 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.960 0.250 25177 1781 1 5 . 1 1 29 29 ALA C C 29 179.659 179.659 178.767 0.892 25177 1782 1 5 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.075 -0.181 25177 1783 1 5 . 1 1 29 29 ALA CB C 29 17.701 17.701 18.063 -0.362 25177 1784 1 5 . 1 1 29 29 ALA H H 29 8.342 8.342 7.835 0.507 25177 1785 1 5 . 1 1 30 30 ALA N N 30 121.235 121.235 121.078 0.157 25177 1786 1 5 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.856 0.369 25177 1787 1 5 . 1 1 30 30 ALA C C 30 180.452 180.452 179.333 1.119 25177 1788 1 5 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.603 0.357 25177 1789 1 5 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.106 -0.357 25177 1790 1 5 . 1 1 30 30 ALA H H 30 7.676 7.676 7.439 0.237 25177 1791 1 5 . 1 1 31 31 PHE N N 31 121.297 121.297 117.708 3.589 25177 1792 1 5 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.076 0.265 25177 1793 1 5 . 1 1 31 31 PHE C C 31 177.355 177.355 177.822 -0.467 25177 1794 1 5 . 1 1 31 31 PHE CA C 31 61.019 61.019 59.926 1.093 25177 1795 1 5 . 1 1 31 31 PHE CB C 31 39.314 39.314 37.961 1.353 25177 1796 1 5 . 1 1 31 31 PHE H H 31 8.086 8.086 7.784 0.302 25177 1797 1 5 . 1 1 32 32 GLU N N 32 119.861 119.861 120.533 -0.672 25177 1798 1 5 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.805 -0.021 25177 1799 1 5 . 1 1 32 32 GLU C C 32 178.906 178.906 178.962 -0.056 25177 1800 1 5 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.281 -0.337 25177 1801 1 5 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.465 -0.522 25177 1802 1 5 . 1 1 32 32 GLU H H 32 8.417 8.417 8.265 0.152 25177 1803 1 5 . 1 1 33 33 LYS N N 33 118.133 118.133 119.243 -1.110 25177 1804 1 5 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.993 0.051 25177 1805 1 5 . 1 1 33 33 LYS C C 33 179.471 179.471 179.136 0.335 25177 1806 1 5 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.770 -0.373 25177 1807 1 5 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.397 -0.166 25177 1808 1 5 . 1 1 33 33 LYS H H 33 7.491 7.491 7.939 -0.448 25177 1809 1 5 . 1 1 34 34 GLU N N 34 121.763 121.763 119.746 2.017 25177 1810 1 5 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.957 0.160 25177 1811 1 5 . 1 1 34 34 GLU C C 34 179.955 179.955 179.208 0.747 25177 1812 1 5 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.347 0.169 25177 1813 1 5 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.328 0.135 25177 1814 1 5 . 1 1 34 34 GLU H H 34 7.699 7.699 8.168 -0.469 25177 1815 1 5 . 1 1 35 35 ILE N N 35 121.167 121.167 119.361 1.806 25177 1816 1 5 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.672 0.111 25177 1817 1 5 . 1 1 35 35 ILE C C 35 177.219 177.219 178.107 -0.888 25177 1818 1 5 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.918 0.043 25177 1819 1 5 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.644 1.012 25177 1820 1 5 . 1 1 35 35 ILE H H 35 8.120 8.120 8.481 -0.361 25177 1821 1 5 . 1 1 36 36 ALA N N 36 124.132 124.132 123.170 0.962 25177 1822 1 5 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.274 0.072 25177 1823 1 5 . 1 1 36 36 ALA C C 36 180.915 180.915 179.788 1.127 25177 1824 1 5 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.066 -0.062 25177 1825 1 5 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.228 -0.468 25177 1826 1 5 . 1 1 36 36 ALA H H 36 8.161 8.161 7.934 0.227 25177 1827 1 5 . 1 1 37 37 ALA N N 37 121.980 121.980 120.787 1.193 25177 1828 1 5 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.163 0.027 25177 1829 1 5 . 1 1 37 37 ALA C C 37 180.126 180.126 179.788 0.338 25177 1830 1 5 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.772 0.268 25177 1831 1 5 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.384 -0.784 25177 1832 1 5 . 1 1 37 37 ALA H H 37 7.887 7.887 8.130 -0.243 25177 1833 1 5 . 1 1 38 38 PHE N N 38 121.517 121.517 119.257 2.260 25177 1834 1 5 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.151 0.042 25177 1835 1 5 . 1 1 38 38 PHE C C 38 177.044 177.044 177.708 -0.664 25177 1836 1 5 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.797 0.688 25177 1837 1 5 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.984 0.093 25177 1838 1 5 . 1 1 38 38 PHE H H 38 7.751 7.751 8.259 -0.508 25177 1839 1 5 . 1 1 39 39 GLU N N 39 118.815 118.815 117.856 0.959 25177 1840 1 5 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.994 -0.356 25177 1841 1 5 . 1 1 39 39 GLU C C 39 179.591 179.591 178.892 0.699 25177 1842 1 5 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.696 0.725 25177 1843 1 5 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.198 0.664 25177 1844 1 5 . 1 1 39 39 GLU H H 39 8.746 8.746 8.616 0.130 25177 1845 1 5 . 1 1 40 40 SER N N 40 115.384 115.384 115.287 0.097 25177 1846 1 5 . 1 1 40 40 SER HA H 40 4.176 4.176 4.251 -0.075 25177 1847 1 5 . 1 1 40 40 SER C C 40 177.354 177.354 176.739 0.615 25177 1848 1 5 . 1 1 40 40 SER CA C 40 61.771 61.771 61.162 0.609 25177 1849 1 5 . 1 1 40 40 SER CB C 40 62.786 62.786 63.082 -0.296 25177 1850 1 5 . 1 1 40 40 SER H H 40 8.171 8.171 8.159 0.012 25177 1851 1 5 . 1 1 41 41 GLU N N 41 123.650 123.650 120.749 2.901 25177 1852 1 5 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.127 -0.054 25177 1853 1 5 . 1 1 41 41 GLU C C 41 179.360 179.360 178.812 0.548 25177 1854 1 5 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.812 0.698 25177 1855 1 5 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.055 -0.534 25177 1856 1 5 . 1 1 41 41 GLU H H 41 7.819 7.819 7.937 -0.118 25177 1857 1 5 . 1 1 42 42 LEU N N 42 119.352 119.352 118.361 0.991 25177 1858 1 5 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.202 -0.435 25177 1859 1 5 . 1 1 42 42 LEU C C 42 179.152 179.152 178.691 0.461 25177 1860 1 5 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.473 -0.509 25177 1861 1 5 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.118 -0.626 25177 1862 1 5 . 1 1 42 42 LEU H H 42 7.816 7.816 8.106 -0.290 25177 1863 1 5 . 1 1 43 43 GLN N N 43 118.423 118.423 117.151 1.272 25177 1864 1 5 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.124 -0.166 25177 1865 1 5 . 1 1 43 43 GLN C C 43 177.081 177.081 177.135 -0.054 25177 1866 1 5 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.824 0.341 25177 1867 1 5 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.396 -0.189 25177 1868 1 5 . 1 1 43 43 GLN H H 43 7.785 7.785 8.056 -0.271 25177 1869 1 5 . 1 1 44 44 ALA N N 44 120.300 120.300 120.229 0.071 25177 1870 1 5 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.193 -0.032 25177 1871 1 5 . 1 1 44 44 ALA C C 44 177.823 177.823 178.156 -0.333 25177 1872 1 5 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.224 -0.068 25177 1873 1 5 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.281 0.144 25177 1874 1 5 . 1 1 44 44 ALA H H 44 7.380 7.380 7.535 -0.155 25177 1875 1 5 . 1 1 45 45 TYR N N 45 118.887 118.887 118.372 0.515 25177 1876 1 5 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.163 0.210 25177 1877 1 5 . 1 1 45 45 TYR C C 45 176.018 176.018 176.592 -0.574 25177 1878 1 5 . 1 1 45 45 TYR CA C 45 58.749 58.749 60.120 -1.371 25177 1879 1 5 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.558 0.239 25177 1880 1 5 . 1 1 45 45 TYR H H 45 7.438 7.438 7.211 0.227 25177 1881 1 5 . 1 1 46 46 LYS N N 46 124.177 124.177 115.943 8.234 25177 1882 1 5 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.025 0.161 25177 1883 1 5 . 1 1 46 46 LYS C C 46 176.900 176.900 175.885 1.015 25177 1884 1 5 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.910 -0.192 25177 1885 1 5 . 1 1 46 46 LYS CB C 46 32.774 32.774 29.674 3.099 25177 1886 1 5 . 1 1 46 46 LYS H H 46 7.884 7.884 8.451 -0.567 25177 1887 1 5 . 1 1 47 47 GLY N N 47 109.590 109.590 107.942 1.648 25177 1888 1 5 . 1 1 47 47 GLY C C 47 174.029 174.029 173.679 0.350 25177 1889 1 5 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.632 0.965 25177 1890 1 5 . 1 1 47 47 GLY H H 47 7.662 7.662 8.423 -0.761 25177 1891 1 5 . 1 1 48 48 LYS N N 48 120.521 120.521 124.998 -4.477 25177 1892 1 5 . 1 1 48 48 LYS HA H 48 3.921 3.921 3.872 0.049 25177 1893 1 5 . 1 1 48 48 LYS C C 48 177.262 177.262 176.768 0.494 25177 1894 1 5 . 1 1 48 48 LYS CA C 48 56.345 56.345 56.176 0.169 25177 1895 1 5 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.080 0.798 25177 1896 1 5 . 1 1 48 48 LYS H H 48 8.049 8.049 8.455 -0.406 25177 1897 1 5 . 1 1 49 49 GLY N N 49 110.678 110.678 109.942 0.736 25177 1898 1 5 . 1 1 49 49 GLY C C 49 173.842 173.842 173.120 0.722 25177 1899 1 5 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.364 0.221 25177 1900 1 5 . 1 1 49 49 GLY H H 49 8.604 8.604 8.196 0.408 25177 1901 1 5 . 1 1 50 50 ASN N N 50 120.298 120.298 117.444 2.854 25177 1902 1 5 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.970 -0.014 25177 1903 1 5 . 1 1 50 50 ASN C C 50 177.904 177.904 173.349 4.555 25177 1904 1 5 . 1 1 50 50 ASN CA C 50 51.649 51.649 52.897 -1.248 25177 1905 1 5 . 1 1 50 50 ASN CB C 50 38.943 38.943 37.419 1.524 25177 1906 1 5 . 1 1 50 50 ASN H H 50 8.045 8.045 8.389 -0.344 25177 1907 1 5 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.233 0.039 25177 1908 1 5 . 1 1 51 51 PRO C C 51 178.931 178.931 177.812 1.119 25177 1909 1 5 . 1 1 51 51 PRO CA C 51 65.109 65.109 65.368 -0.259 25177 1910 1 5 . 1 1 51 51 PRO CB C 51 31.834 31.834 31.994 -0.160 25177 1911 1 5 . 1 1 52 52 GLU N N 52 119.291 119.291 118.075 1.216 25177 1912 1 5 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.986 0.073 25177 1913 1 5 . 1 1 52 52 GLU C C 52 178.805 178.805 178.420 0.385 25177 1914 1 5 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.199 -0.026 25177 1915 1 5 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.301 0.384 25177 1916 1 5 . 1 1 52 52 GLU H H 52 8.344 8.344 8.928 -0.584 25177 1917 1 5 . 1 1 53 53 VAL N N 53 120.013 120.013 119.104 0.909 25177 1918 1 5 . 1 1 53 53 VAL HA H 53 3.502 3.502 4.013 -0.511 25177 1919 1 5 . 1 1 53 53 VAL C C 53 177.587 177.587 177.855 -0.268 25177 1920 1 5 . 1 1 53 53 VAL CA C 53 65.946 65.946 64.020 1.926 25177 1921 1 5 . 1 1 53 53 VAL CB C 53 31.475 31.475 30.875 0.600 25177 1922 1 5 . 1 1 53 53 VAL H H 53 7.304 7.304 7.959 -0.655 25177 1923 1 5 . 1 1 54 54 GLU N N 54 119.848 119.848 121.103 -1.255 25177 1924 1 5 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.958 0.090 25177 1925 1 5 . 1 1 54 54 GLU C C 54 178.910 178.910 178.544 0.366 25177 1926 1 5 . 1 1 54 54 GLU CA C 54 58.857 58.857 60.156 -1.299 25177 1927 1 5 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.141 -0.442 25177 1928 1 5 . 1 1 54 54 GLU H H 54 7.820 7.820 7.556 0.264 25177 1929 1 5 . 1 1 55 55 ALA N N 55 121.463 121.463 121.816 -0.353 25177 1930 1 5 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.206 -0.061 25177 1931 1 5 . 1 1 55 55 ALA C C 55 180.920 180.920 179.863 1.057 25177 1932 1 5 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.127 0.132 25177 1933 1 5 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.475 -0.675 25177 1934 1 5 . 1 1 55 55 ALA H H 55 7.701 7.701 7.773 -0.072 25177 1935 1 5 . 1 1 56 56 LEU N N 56 120.343 120.343 119.264 1.079 25177 1936 1 5 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.963 0.182 25177 1937 1 5 . 1 1 56 56 LEU C C 56 178.721 178.721 179.586 -0.865 25177 1938 1 5 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.389 -0.490 25177 1939 1 5 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.719 0.479 25177 1940 1 5 . 1 1 56 56 LEU H H 56 7.656 7.656 7.762 -0.106 25177 1941 1 5 . 1 1 57 57 ARG N N 57 119.950 119.950 118.748 1.202 25177 1942 1 5 . 1 1 57 57 ARG HA H 57 3.821 3.821 4.027 -0.206 25177 1943 1 5 . 1 1 57 57 ARG C C 57 179.667 179.667 178.817 0.850 25177 1944 1 5 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.948 0.239 25177 1945 1 5 . 1 1 57 57 ARG CB C 57 29.185 29.185 30.057 -0.872 25177 1946 1 5 . 1 1 57 57 ARG H H 57 8.350 8.350 8.556 -0.206 25177 1947 1 5 . 1 1 58 58 LYS N N 58 120.501 120.501 120.179 0.322 25177 1948 1 5 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.006 0.024 25177 1949 1 5 . 1 1 58 58 LYS C C 58 179.448 179.448 178.950 0.498 25177 1950 1 5 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.766 -0.188 25177 1951 1 5 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.262 0.107 25177 1952 1 5 . 1 1 58 58 LYS H H 58 7.989 7.989 7.995 -0.006 25177 1953 1 5 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.911 0.233 25177 1954 1 5 . 1 1 59 59 GLU C C 59 178.877 178.877 178.930 -0.053 25177 1955 1 5 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.673 -0.254 25177 1956 1 5 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.534 -0.301 25177 1957 1 5 . 1 1 59 59 GLU H H 59 7.891 7.891 8.192 -0.301 25177 1958 1 5 . 1 1 60 60 ALA N N 60 122.069 122.069 121.820 0.249 25177 1959 1 5 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.977 -0.041 25177 1960 1 5 . 1 1 60 60 ALA C C 60 178.379 178.379 179.582 -1.203 25177 1961 1 5 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.191 -0.297 25177 1962 1 5 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.167 -0.639 25177 1963 1 5 . 1 1 60 60 ALA H H 60 8.480 8.480 8.094 0.386 25177 1964 1 5 . 1 1 61 61 ALA N N 61 121.446 121.446 120.997 0.449 25177 1965 1 5 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.886 0.259 25177 1966 1 5 . 1 1 61 61 ALA C C 61 178.579 178.579 179.263 -0.684 25177 1967 1 5 . 1 1 61 61 ALA CA C 61 55.440 55.440 55.154 0.286 25177 1968 1 5 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.435 -0.269 25177 1969 1 5 . 1 1 61 61 ALA H H 61 7.702 7.702 8.302 -0.600 25177 1970 1 5 . 1 1 62 62 ALA N N 62 119.705 119.705 121.774 -2.069 25177 1971 1 5 . 1 1 62 62 ALA HA H 62 4.032 4.032 3.996 0.036 25177 1972 1 5 . 1 1 62 62 ALA C C 62 180.829 180.829 179.688 1.141 25177 1973 1 5 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.885 -0.090 25177 1974 1 5 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.428 -0.756 25177 1975 1 5 . 1 1 62 62 ALA H H 62 7.818 7.818 7.779 0.039 25177 1976 1 5 . 1 1 63 63 ILE N N 63 121.021 121.021 119.578 1.443 25177 1977 1 5 . 1 1 63 63 ILE HA H 63 3.851 3.851 4.013 -0.162 25177 1978 1 5 . 1 1 63 63 ILE C C 63 178.076 178.076 177.977 0.099 25177 1979 1 5 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.143 -0.455 25177 1980 1 5 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.506 0.449 25177 1981 1 5 . 1 1 63 63 ILE H H 63 7.876 7.876 8.143 -0.267 25177 1982 1 5 . 1 1 64 64 ARG N N 64 121.460 121.460 120.474 0.986 25177 1983 1 5 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.814 0.077 25177 1984 1 5 . 1 1 64 64 ARG C C 64 178.617 178.617 178.066 0.551 25177 1985 1 5 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.163 0.164 25177 1986 1 5 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.942 -0.620 25177 1987 1 5 . 1 1 64 64 ARG H H 64 8.023 8.023 8.134 -0.111 25177 1988 1 5 . 1 1 65 65 ASP N N 65 119.343 119.343 119.319 0.024 25177 1989 1 5 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.328 0.057 25177 1990 1 5 . 1 1 65 65 ASP C C 65 178.827 178.827 178.646 0.181 25177 1991 1 5 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.612 -0.299 25177 1992 1 5 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.436 -0.073 25177 1993 1 5 . 1 1 65 65 ASP H H 65 8.046 8.046 8.167 -0.121 25177 1994 1 5 . 1 1 66 66 GLU N N 66 121.291 121.291 120.265 1.026 25177 1995 1 5 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.636 0.402 25177 1996 1 5 . 1 1 66 66 GLU C C 66 178.410 178.410 178.717 -0.307 25177 1997 1 5 . 1 1 66 66 GLU CA C 66 58.893 58.893 58.968 -0.075 25177 1998 1 5 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.418 0.058 25177 1999 1 5 . 1 1 66 66 GLU H H 66 7.931 7.931 7.977 -0.046 25177 2000 1 5 . 1 1 67 67 CYS N N 67 117.825 117.825 117.564 0.261 25177 2001 1 5 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.064 0.135 25177 2002 1 5 . 1 1 67 67 CYS C C 67 176.095 176.095 176.959 -0.864 25177 2003 1 5 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.043 -2.558 25177 2004 1 5 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.438 -0.427 25177 2005 1 5 . 1 1 67 67 CYS H H 67 8.009 8.009 8.121 -0.112 25177 2006 1 5 . 1 1 68 68 GLN N N 68 118.847 118.847 118.251 0.596 25177 2007 1 5 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.130 -0.013 25177 2008 1 5 . 1 1 68 68 GLN C C 68 177.110 177.110 177.801 -0.691 25177 2009 1 5 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.197 -0.743 25177 2010 1 5 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.244 0.104 25177 2011 1 5 . 1 1 68 68 GLN H H 68 7.906 7.906 7.922 -0.016 25177 2012 1 5 . 1 1 69 69 ALA N N 69 122.260 122.260 119.326 2.934 25177 2013 1 5 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.186 -0.083 25177 2014 1 5 . 1 1 69 69 ALA C C 69 178.367 178.367 177.982 0.385 25177 2015 1 5 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.349 0.333 25177 2016 1 5 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.343 -0.147 25177 2017 1 5 . 1 1 69 69 ALA H H 69 7.648 7.648 7.487 0.161 25177 2018 1 5 . 1 1 70 70 TYR N N 70 117.039 117.039 116.853 0.186 25177 2019 1 5 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.602 -0.192 25177 2020 1 5 . 1 1 70 70 TYR C C 70 176.061 176.061 176.988 -0.927 25177 2021 1 5 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.629 -0.173 25177 2022 1 5 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.898 -1.687 25177 2023 1 5 . 1 1 70 70 TYR H H 70 7.541 7.541 7.244 0.297 25177 2024 1 5 . 1 1 71 71 ARG N N 71 120.503 120.503 118.477 2.026 25177 2025 1 5 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.590 -0.346 25177 2026 1 5 . 1 1 71 71 ARG C C 71 175.759 175.759 175.380 0.379 25177 2027 1 5 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.197 -0.177 25177 2028 1 5 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.970 -0.341 25177 2029 1 5 . 1 1 71 71 ARG H H 71 7.541 7.541 7.955 -0.414 25177 2030 1 5 . 1 1 72 72 HIS N N 72 120.119 120.119 115.694 4.425 25177 2031 1 5 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.602 0.062 25177 2032 1 5 . 1 1 72 72 HIS C C 72 173.738 173.738 173.035 0.703 25177 2033 1 5 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.491 -1.098 25177 2034 1 5 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.947 -0.186 25177 2035 1 5 . 1 1 72 72 HIS H H 72 8.126 8.126 8.203 -0.077 25177 2036 1 6 . 1 1 3 3 SER HA H 3 4.362 4.362 4.728 -0.366 25177 2037 1 6 . 1 1 3 3 SER C C 3 176.187 176.187 174.940 1.247 25177 2038 1 6 . 1 1 3 3 SER CA C 3 55.064 55.064 57.792 -2.728 25177 2039 1 6 . 1 1 3 3 SER CB C 3 61.154 61.154 63.231 -2.077 25177 2040 1 6 . 1 1 4 4 TRP N N 4 122.487 122.487 124.987 -2.500 25177 2041 1 6 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.345 0.187 25177 2042 1 6 . 1 1 4 4 TRP C C 4 177.481 177.481 176.448 1.033 25177 2043 1 6 . 1 1 4 4 TRP CA C 4 59.541 59.541 61.664 -2.123 25177 2044 1 6 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.661 -0.104 25177 2045 1 6 . 1 1 4 4 TRP H H 4 8.287 8.287 8.221 0.066 25177 2046 1 6 . 1 1 5 5 ALA N N 5 121.306 121.306 121.186 0.120 25177 2047 1 6 . 1 1 5 5 ALA HA H 5 3.882 3.882 4.014 -0.132 25177 2048 1 6 . 1 1 5 5 ALA C C 5 180.462 180.462 179.750 0.712 25177 2049 1 6 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.907 -0.509 25177 2050 1 6 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.854 0.175 25177 2051 1 6 . 1 1 5 5 ALA H H 5 8.287 8.287 8.725 -0.438 25177 2052 1 6 . 1 1 6 6 GLU N N 6 118.841 118.841 118.985 -0.144 25177 2053 1 6 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.074 -0.012 25177 2054 1 6 . 1 1 6 6 GLU C C 6 179.425 179.425 178.971 0.454 25177 2055 1 6 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.837 -0.595 25177 2056 1 6 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.511 -0.294 25177 2057 1 6 . 1 1 6 6 GLU H H 6 7.805 7.805 8.329 -0.524 25177 2058 1 6 . 1 1 7 7 PHE N N 7 120.314 120.314 119.323 0.991 25177 2059 1 6 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.342 0.023 25177 2060 1 6 . 1 1 7 7 PHE C C 7 178.168 178.168 177.717 0.451 25177 2061 1 6 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.634 -0.234 25177 2062 1 6 . 1 1 7 7 PHE CB C 7 39.174 39.174 39.080 0.094 25177 2063 1 6 . 1 1 7 7 PHE H H 7 7.950 7.950 7.833 0.117 25177 2064 1 6 . 1 1 8 8 LYS N N 8 119.370 119.370 119.788 -0.418 25177 2065 1 6 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.725 0.082 25177 2066 1 6 . 1 1 8 8 LYS C C 8 179.501 179.501 178.872 0.629 25177 2067 1 6 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.720 0.382 25177 2068 1 6 . 1 1 8 8 LYS CB C 8 31.793 31.793 32.110 -0.317 25177 2069 1 6 . 1 1 8 8 LYS H H 8 8.214 8.214 8.504 -0.290 25177 2070 1 6 . 1 1 9 9 GLN N N 9 120.219 120.219 118.939 1.280 25177 2071 1 6 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.985 0.090 25177 2072 1 6 . 1 1 9 9 GLN C C 9 178.818 178.818 178.562 0.256 25177 2073 1 6 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.398 -0.800 25177 2074 1 6 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.759 -0.659 25177 2075 1 6 . 1 1 9 9 GLN H H 9 7.859 7.859 8.149 -0.290 25177 2076 1 6 . 1 1 10 10 ARG N N 10 122.005 122.005 120.116 1.889 25177 2077 1 6 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.924 0.129 25177 2078 1 6 . 1 1 10 10 ARG C C 10 179.057 179.057 178.968 0.089 25177 2079 1 6 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.603 -0.528 25177 2080 1 6 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.875 0.660 25177 2081 1 6 . 1 1 10 10 ARG H H 10 8.135 8.135 7.999 0.136 25177 2082 1 6 . 1 1 11 11 LEU N N 11 120.796 120.796 119.384 1.412 25177 2083 1 6 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.802 -0.161 25177 2084 1 6 . 1 1 11 11 LEU C C 11 177.921 177.921 178.291 -0.370 25177 2085 1 6 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.724 -0.498 25177 2086 1 6 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.480 -0.876 25177 2087 1 6 . 1 1 11 11 LEU H H 11 8.066 8.066 8.080 -0.014 25177 2088 1 6 . 1 1 12 12 ALA N N 12 121.596 121.596 122.252 -0.656 25177 2089 1 6 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.845 0.168 25177 2090 1 6 . 1 1 12 12 ALA C C 12 180.299 180.299 179.184 1.115 25177 2091 1 6 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.187 -0.132 25177 2092 1 6 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.980 -0.549 25177 2093 1 6 . 1 1 12 12 ALA H H 12 7.670 7.670 8.048 -0.378 25177 2094 1 6 . 1 1 13 13 ALA N N 13 121.486 121.486 121.434 0.052 25177 2095 1 6 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.986 0.176 25177 2096 1 6 . 1 1 13 13 ALA C C 13 180.732 180.732 179.536 1.196 25177 2097 1 6 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.958 -0.077 25177 2098 1 6 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.324 -0.508 25177 2099 1 6 . 1 1 13 13 ALA H H 13 7.601 7.601 7.944 -0.343 25177 2100 1 6 . 1 1 14 14 ILE N N 14 121.912 121.912 118.305 3.607 25177 2101 1 6 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.143 0.531 25177 2102 1 6 . 1 1 14 14 ILE C C 14 177.883 177.883 177.739 0.144 25177 2103 1 6 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.006 0.815 25177 2104 1 6 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.510 0.568 25177 2105 1 6 . 1 1 14 14 ILE H H 14 7.843 7.843 7.932 -0.089 25177 2106 1 6 . 1 1 15 15 LYS N N 15 121.705 121.705 120.496 1.209 25177 2107 1 6 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.809 0.028 25177 2108 1 6 . 1 1 15 15 LYS C C 15 178.896 178.896 178.691 0.205 25177 2109 1 6 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.090 0.348 25177 2110 1 6 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.325 -0.208 25177 2111 1 6 . 1 1 15 15 LYS H H 15 8.439 8.439 8.156 0.283 25177 2112 1 6 . 1 1 16 16 THR N N 16 115.218 115.218 116.861 -1.643 25177 2113 1 6 . 1 1 16 16 THR HA H 16 3.919 3.919 3.903 0.016 25177 2114 1 6 . 1 1 16 16 THR C C 16 176.872 176.872 176.843 0.029 25177 2115 1 6 . 1 1 16 16 THR CA C 16 66.297 66.297 67.269 -0.972 25177 2116 1 6 . 1 1 16 16 THR CB C 16 69.045 69.045 68.637 0.408 25177 2117 1 6 . 1 1 16 16 THR H H 16 7.936 7.936 8.173 -0.237 25177 2118 1 6 . 1 1 17 17 ARG N N 17 122.508 122.508 120.716 1.792 25177 2119 1 6 . 1 1 17 17 ARG HA H 17 4.019 4.019 3.987 0.032 25177 2120 1 6 . 1 1 17 17 ARG C C 17 178.281 178.281 178.253 0.028 25177 2121 1 6 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.688 -0.718 25177 2122 1 6 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.885 0.253 25177 2123 1 6 . 1 1 17 17 ARG H H 17 7.781 7.781 7.898 -0.117 25177 2124 1 6 . 1 1 18 18 CYS N N 18 119.296 119.296 117.864 1.432 25177 2125 1 6 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.232 -0.758 25177 2126 1 6 . 1 1 18 18 CYS C C 18 176.151 176.151 176.237 -0.086 25177 2127 1 6 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.590 -0.235 25177 2128 1 6 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.244 -0.672 25177 2129 1 6 . 1 1 18 18 CYS H H 18 8.158 8.158 7.516 0.642 25177 2130 1 6 . 1 1 19 19 GLN N N 19 116.825 116.825 117.770 -0.945 25177 2131 1 6 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.255 -0.215 25177 2132 1 6 . 1 1 19 19 GLN C C 19 176.178 176.178 177.676 -1.498 25177 2133 1 6 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.476 -1.097 25177 2134 1 6 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.170 -0.886 25177 2135 1 6 . 1 1 19 19 GLN H H 19 7.523 7.523 8.037 -0.514 25177 2136 1 6 . 1 1 20 20 ALA N N 20 121.265 121.265 120.432 0.833 25177 2137 1 6 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.279 0.082 25177 2138 1 6 . 1 1 20 20 ALA C C 20 177.491 177.491 177.612 -0.121 25177 2139 1 6 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.318 -0.448 25177 2140 1 6 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.738 -0.547 25177 2141 1 6 . 1 1 20 20 ALA H H 20 7.322 7.322 7.702 -0.380 25177 2142 1 6 . 1 1 21 21 LEU N N 21 120.570 120.570 118.730 1.840 25177 2143 1 6 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.992 0.038 25177 2144 1 6 . 1 1 21 21 LEU C C 21 177.889 177.889 177.714 0.175 25177 2145 1 6 . 1 1 21 21 LEU CA C 21 55.960 55.960 54.604 1.356 25177 2146 1 6 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.433 3.055 25177 2147 1 6 . 1 1 21 21 LEU H H 21 7.200 7.200 7.871 -0.671 25177 2148 1 6 . 1 1 22 22 GLY N N 22 109.881 109.881 107.425 2.456 25177 2149 1 6 . 1 1 22 22 GLY C C 22 174.896 174.896 175.414 -0.518 25177 2150 1 6 . 1 1 22 22 GLY CA C 22 45.562 45.562 46.327 -0.765 25177 2151 1 6 . 1 1 22 22 GLY H H 22 8.454 8.454 8.461 -0.007 25177 2152 1 6 . 1 1 23 23 GLY N N 23 107.014 107.014 108.191 -1.177 25177 2153 1 6 . 1 1 23 23 GLY C C 23 174.347 174.347 174.059 0.288 25177 2154 1 6 . 1 1 23 23 GLY CA C 23 45.514 45.514 44.616 0.898 25177 2155 1 6 . 1 1 23 23 GLY H H 23 7.759 7.759 8.306 -0.547 25177 2156 1 6 . 1 1 24 24 SER N N 24 116.572 116.572 117.130 -0.558 25177 2157 1 6 . 1 1 24 24 SER HA H 24 4.519 4.519 4.753 -0.234 25177 2158 1 6 . 1 1 24 24 SER C C 24 175.184 175.184 174.640 0.544 25177 2159 1 6 . 1 1 24 24 SER CA C 24 57.853 57.853 57.500 0.353 25177 2160 1 6 . 1 1 24 24 SER CB C 24 64.487 64.487 64.975 -0.488 25177 2161 1 6 . 1 1 24 24 SER H H 24 8.096 8.096 8.194 -0.098 25177 2162 1 6 . 1 1 25 25 GLU N N 25 126.083 126.083 127.086 -1.003 25177 2163 1 6 . 1 1 25 25 GLU HA H 25 3.853 3.853 3.999 -0.146 25177 2164 1 6 . 1 1 25 25 GLU C C 25 178.773 178.773 177.795 0.978 25177 2165 1 6 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.961 1.013 25177 2166 1 6 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.007 0.175 25177 2167 1 6 . 1 1 25 25 GLU H H 25 9.042 9.042 9.170 -0.128 25177 2168 1 6 . 1 1 26 26 ALA N N 26 121.614 121.614 122.981 -1.367 25177 2169 1 6 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.212 -0.065 25177 2170 1 6 . 1 1 26 26 ALA C C 26 180.987 180.987 179.238 1.749 25177 2171 1 6 . 1 1 26 26 ALA CA C 26 54.991 54.991 54.195 0.796 25177 2172 1 6 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.184 -0.085 25177 2173 1 6 . 1 1 26 26 ALA H H 26 8.514 8.514 8.042 0.472 25177 2174 1 6 . 1 1 27 27 GLU N N 27 119.564 119.564 119.971 -0.407 25177 2175 1 6 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.409 0.702 25177 2176 1 6 . 1 1 27 27 GLU C C 27 179.198 179.198 178.196 1.002 25177 2177 1 6 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.594 -0.768 25177 2178 1 6 . 1 1 27 27 GLU CB C 27 29.958 29.958 29.225 0.733 25177 2179 1 6 . 1 1 27 27 GLU H H 27 7.757 7.757 8.412 -0.655 25177 2180 1 6 . 1 1 28 28 CYS N N 28 120.060 120.060 116.722 3.338 25177 2181 1 6 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.232 -0.101 25177 2182 1 6 . 1 1 28 28 CYS C C 28 176.521 176.521 176.906 -0.385 25177 2183 1 6 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.691 0.020 25177 2184 1 6 . 1 1 28 28 CYS CB C 28 26.601 26.601 27.214 -0.613 25177 2185 1 6 . 1 1 28 28 CYS H H 28 8.145 8.145 7.651 0.494 25177 2186 1 6 . 1 1 29 29 ALA N N 29 122.930 122.930 122.078 0.852 25177 2187 1 6 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.951 0.259 25177 2188 1 6 . 1 1 29 29 ALA C C 29 179.659 179.659 178.931 0.728 25177 2189 1 6 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.039 -0.145 25177 2190 1 6 . 1 1 29 29 ALA CB C 29 17.701 17.701 18.051 -0.350 25177 2191 1 6 . 1 1 29 29 ALA H H 29 8.342 8.342 7.450 0.891 25177 2192 1 6 . 1 1 30 30 ALA N N 30 121.235 121.235 121.338 -0.103 25177 2193 1 6 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.951 0.274 25177 2194 1 6 . 1 1 30 30 ALA C C 30 180.452 180.452 179.574 0.878 25177 2195 1 6 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.871 0.089 25177 2196 1 6 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.110 -0.361 25177 2197 1 6 . 1 1 30 30 ALA H H 30 7.676 7.676 8.043 -0.367 25177 2198 1 6 . 1 1 31 31 PHE N N 31 121.297 121.297 118.010 3.287 25177 2199 1 6 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.231 0.110 25177 2200 1 6 . 1 1 31 31 PHE C C 31 177.355 177.355 178.347 -0.992 25177 2201 1 6 . 1 1 31 31 PHE CA C 31 61.019 61.019 58.702 2.317 25177 2202 1 6 . 1 1 31 31 PHE CB C 31 39.314 39.314 37.481 1.833 25177 2203 1 6 . 1 1 31 31 PHE H H 31 8.086 8.086 7.555 0.531 25177 2204 1 6 . 1 1 32 32 GLU N N 32 119.861 119.861 120.176 -0.315 25177 2205 1 6 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.880 -0.096 25177 2206 1 6 . 1 1 32 32 GLU C C 32 178.906 178.906 179.097 -0.191 25177 2207 1 6 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.411 -0.467 25177 2208 1 6 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.302 -0.359 25177 2209 1 6 . 1 1 32 32 GLU H H 32 8.417 8.417 8.307 0.110 25177 2210 1 6 . 1 1 33 33 LYS N N 33 118.133 118.133 119.820 -1.687 25177 2211 1 6 . 1 1 33 33 LYS HA H 33 4.044 4.044 4.027 0.017 25177 2212 1 6 . 1 1 33 33 LYS C C 33 179.471 179.471 178.910 0.561 25177 2213 1 6 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.789 -0.392 25177 2214 1 6 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.580 -0.349 25177 2215 1 6 . 1 1 33 33 LYS H H 33 7.491 7.491 8.012 -0.521 25177 2216 1 6 . 1 1 34 34 GLU N N 34 121.763 121.763 120.077 1.686 25177 2217 1 6 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.984 0.133 25177 2218 1 6 . 1 1 34 34 GLU C C 34 179.955 179.955 179.340 0.615 25177 2219 1 6 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.536 -0.021 25177 2220 1 6 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.470 -0.007 25177 2221 1 6 . 1 1 34 34 GLU H H 34 7.699 7.699 8.303 -0.604 25177 2222 1 6 . 1 1 35 35 ILE N N 35 121.167 121.167 119.219 1.948 25177 2223 1 6 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.675 0.108 25177 2224 1 6 . 1 1 35 35 ILE C C 35 177.219 177.219 178.034 -0.815 25177 2225 1 6 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.797 0.164 25177 2226 1 6 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.749 0.906 25177 2227 1 6 . 1 1 35 35 ILE H H 35 8.120 8.120 8.446 -0.326 25177 2228 1 6 . 1 1 36 36 ALA N N 36 124.132 124.132 122.555 1.577 25177 2229 1 6 . 1 1 36 36 ALA HA H 36 4.346 4.346 3.963 0.383 25177 2230 1 6 . 1 1 36 36 ALA C C 36 180.915 180.915 179.617 1.298 25177 2231 1 6 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.462 -0.458 25177 2232 1 6 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.000 -0.240 25177 2233 1 6 . 1 1 36 36 ALA H H 36 8.161 8.161 8.022 0.139 25177 2234 1 6 . 1 1 37 37 ALA N N 37 121.980 121.980 120.987 0.993 25177 2235 1 6 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.139 0.051 25177 2236 1 6 . 1 1 37 37 ALA C C 37 180.126 180.126 179.690 0.436 25177 2237 1 6 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.858 0.182 25177 2238 1 6 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.367 -0.767 25177 2239 1 6 . 1 1 37 37 ALA H H 37 7.887 7.887 8.127 -0.240 25177 2240 1 6 . 1 1 38 38 PHE N N 38 121.517 121.517 119.132 2.385 25177 2241 1 6 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.109 0.084 25177 2242 1 6 . 1 1 38 38 PHE C C 38 177.044 177.044 177.793 -0.749 25177 2243 1 6 . 1 1 38 38 PHE CA C 38 61.485 61.485 61.445 0.040 25177 2244 1 6 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.956 0.121 25177 2245 1 6 . 1 1 38 38 PHE H H 38 7.751 7.751 8.244 -0.493 25177 2246 1 6 . 1 1 39 39 GLU N N 39 118.815 118.815 117.805 1.010 25177 2247 1 6 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.924 -0.286 25177 2248 1 6 . 1 1 39 39 GLU C C 39 179.591 179.591 178.836 0.755 25177 2249 1 6 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.695 0.726 25177 2250 1 6 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.151 0.711 25177 2251 1 6 . 1 1 39 39 GLU H H 39 8.746 8.746 8.662 0.084 25177 2252 1 6 . 1 1 40 40 SER N N 40 115.384 115.384 115.689 -0.305 25177 2253 1 6 . 1 1 40 40 SER HA H 40 4.176 4.176 4.200 -0.024 25177 2254 1 6 . 1 1 40 40 SER C C 40 177.354 177.354 176.829 0.525 25177 2255 1 6 . 1 1 40 40 SER CA C 40 61.771 61.771 61.428 0.343 25177 2256 1 6 . 1 1 40 40 SER CB C 40 62.786 62.786 63.133 -0.347 25177 2257 1 6 . 1 1 40 40 SER H H 40 8.171 8.171 8.101 0.070 25177 2258 1 6 . 1 1 41 41 GLU N N 41 123.650 123.650 120.162 3.488 25177 2259 1 6 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.111 -0.038 25177 2260 1 6 . 1 1 41 41 GLU C C 41 179.360 179.360 178.803 0.557 25177 2261 1 6 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.023 1.486 25177 2262 1 6 . 1 1 41 41 GLU CB C 41 29.521 29.521 29.773 -0.252 25177 2263 1 6 . 1 1 41 41 GLU H H 41 7.819 7.819 8.078 -0.259 25177 2264 1 6 . 1 1 42 42 LEU N N 42 119.352 119.352 119.254 0.098 25177 2265 1 6 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.153 -0.386 25177 2266 1 6 . 1 1 42 42 LEU C C 42 179.152 179.152 178.677 0.475 25177 2267 1 6 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.389 -0.425 25177 2268 1 6 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.298 -0.806 25177 2269 1 6 . 1 1 42 42 LEU H H 42 7.816 7.816 8.002 -0.186 25177 2270 1 6 . 1 1 43 43 GLN N N 43 118.423 118.423 118.067 0.356 25177 2271 1 6 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.109 -0.151 25177 2272 1 6 . 1 1 43 43 GLN C C 43 177.081 177.081 177.406 -0.325 25177 2273 1 6 . 1 1 43 43 GLN CA C 43 58.165 58.165 58.142 0.023 25177 2274 1 6 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.206 0.001 25177 2275 1 6 . 1 1 43 43 GLN H H 43 7.785 7.785 8.075 -0.290 25177 2276 1 6 . 1 1 44 44 ALA N N 44 120.300 120.300 121.345 -1.045 25177 2277 1 6 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.163 -0.002 25177 2278 1 6 . 1 1 44 44 ALA C C 44 177.823 177.823 178.686 -0.863 25177 2279 1 6 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.541 -0.385 25177 2280 1 6 . 1 1 44 44 ALA CB C 44 18.425 18.425 17.990 0.435 25177 2281 1 6 . 1 1 44 44 ALA H H 44 7.380 7.380 7.670 -0.290 25177 2282 1 6 . 1 1 45 45 TYR N N 45 118.887 118.887 117.449 1.438 25177 2283 1 6 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.215 0.158 25177 2284 1 6 . 1 1 45 45 TYR C C 45 176.018 176.018 176.072 -0.054 25177 2285 1 6 . 1 1 45 45 TYR CA C 45 58.749 58.749 59.212 -0.463 25177 2286 1 6 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.286 0.511 25177 2287 1 6 . 1 1 45 45 TYR H H 45 7.438 7.438 7.271 0.167 25177 2288 1 6 . 1 1 46 46 LYS N N 46 124.177 124.177 115.442 8.735 25177 2289 1 6 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.042 0.144 25177 2290 1 6 . 1 1 46 46 LYS C C 46 176.900 176.900 176.482 0.418 25177 2291 1 6 . 1 1 46 46 LYS CA C 46 56.718 56.718 57.368 -0.650 25177 2292 1 6 . 1 1 46 46 LYS CB C 46 32.774 32.774 31.023 1.751 25177 2293 1 6 . 1 1 46 46 LYS H H 46 7.884 7.884 7.854 0.030 25177 2294 1 6 . 1 1 47 47 GLY N N 47 109.590 109.590 106.733 2.857 25177 2295 1 6 . 1 1 47 47 GLY C C 47 174.029 174.029 174.973 -0.944 25177 2296 1 6 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.191 1.406 25177 2297 1 6 . 1 1 47 47 GLY H H 47 7.662 7.662 8.655 -0.993 25177 2298 1 6 . 1 1 48 48 LYS N N 48 120.521 120.521 121.491 -0.970 25177 2299 1 6 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.065 -0.144 25177 2300 1 6 . 1 1 48 48 LYS C C 48 177.262 177.262 177.420 -0.158 25177 2301 1 6 . 1 1 48 48 LYS CA C 48 56.345 56.345 57.564 -1.219 25177 2302 1 6 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.130 0.748 25177 2303 1 6 . 1 1 48 48 LYS H H 48 8.049 8.049 8.130 -0.081 25177 2304 1 6 . 1 1 49 49 GLY N N 49 110.678 110.678 106.043 4.635 25177 2305 1 6 . 1 1 49 49 GLY C C 49 173.842 173.842 175.027 -1.185 25177 2306 1 6 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.893 -0.308 25177 2307 1 6 . 1 1 49 49 GLY H H 49 8.604 8.604 8.571 0.033 25177 2308 1 6 . 1 1 50 50 ASN N N 50 120.298 120.298 117.933 2.365 25177 2309 1 6 . 1 1 50 50 ASN HA H 50 4.956 4.956 5.114 -0.158 25177 2310 1 6 . 1 1 50 50 ASN C C 50 177.904 177.904 174.106 3.798 25177 2311 1 6 . 1 1 50 50 ASN CA C 50 51.649 51.649 50.413 1.236 25177 2312 1 6 . 1 1 50 50 ASN CB C 50 38.943 38.943 40.312 -1.369 25177 2313 1 6 . 1 1 50 50 ASN H H 50 8.045 8.045 7.687 0.358 25177 2314 1 6 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.305 -0.033 25177 2315 1 6 . 1 1 51 51 PRO C C 51 178.931 178.931 177.978 0.953 25177 2316 1 6 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.604 0.505 25177 2317 1 6 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.133 -0.298 25177 2318 1 6 . 1 1 52 52 GLU N N 52 119.291 119.291 119.410 -0.119 25177 2319 1 6 . 1 1 52 52 GLU HA H 52 4.059 4.059 4.256 -0.197 25177 2320 1 6 . 1 1 52 52 GLU C C 52 178.805 178.805 178.645 0.160 25177 2321 1 6 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.648 -0.475 25177 2322 1 6 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.315 0.370 25177 2323 1 6 . 1 1 52 52 GLU H H 52 8.344 8.344 8.759 -0.415 25177 2324 1 6 . 1 1 53 53 VAL N N 53 120.013 120.013 118.857 1.156 25177 2325 1 6 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.966 -0.464 25177 2326 1 6 . 1 1 53 53 VAL C C 53 177.587 177.587 178.243 -0.656 25177 2327 1 6 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.065 0.881 25177 2328 1 6 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.184 0.291 25177 2329 1 6 . 1 1 53 53 VAL H H 53 7.304 7.304 7.573 -0.269 25177 2330 1 6 . 1 1 54 54 GLU N N 54 119.848 119.848 121.467 -1.619 25177 2331 1 6 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.066 -0.018 25177 2332 1 6 . 1 1 54 54 GLU C C 54 178.910 178.910 178.877 0.033 25177 2333 1 6 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.945 -1.088 25177 2334 1 6 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.478 -0.779 25177 2335 1 6 . 1 1 54 54 GLU H H 54 7.820 7.820 7.670 0.150 25177 2336 1 6 . 1 1 55 55 ALA N N 55 121.463 121.463 122.540 -1.077 25177 2337 1 6 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.225 -0.080 25177 2338 1 6 . 1 1 55 55 ALA C C 55 180.920 180.920 179.734 1.186 25177 2339 1 6 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.275 -0.016 25177 2340 1 6 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.667 -0.867 25177 2341 1 6 . 1 1 55 55 ALA H H 55 7.701 7.701 8.605 -0.904 25177 2342 1 6 . 1 1 56 56 LEU N N 56 120.343 120.343 120.067 0.276 25177 2343 1 6 . 1 1 56 56 LEU HA H 56 4.145 4.145 4.000 0.145 25177 2344 1 6 . 1 1 56 56 LEU C C 56 178.721 178.721 179.079 -0.358 25177 2345 1 6 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.303 -0.404 25177 2346 1 6 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.315 0.883 25177 2347 1 6 . 1 1 56 56 LEU H H 56 7.656 7.656 7.725 -0.069 25177 2348 1 6 . 1 1 57 57 ARG N N 57 119.950 119.950 118.516 1.434 25177 2349 1 6 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.921 -0.100 25177 2350 1 6 . 1 1 57 57 ARG C C 57 179.667 179.667 178.455 1.212 25177 2351 1 6 . 1 1 57 57 ARG CA C 57 60.187 60.187 60.121 0.066 25177 2352 1 6 . 1 1 57 57 ARG CB C 57 29.185 29.185 30.170 -0.985 25177 2353 1 6 . 1 1 57 57 ARG H H 57 8.350 8.350 8.185 0.165 25177 2354 1 6 . 1 1 58 58 LYS N N 58 120.501 120.501 119.900 0.601 25177 2355 1 6 . 1 1 58 58 LYS HA H 58 4.030 4.030 3.993 0.037 25177 2356 1 6 . 1 1 58 58 LYS C C 58 179.448 179.448 178.806 0.642 25177 2357 1 6 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.862 -0.284 25177 2358 1 6 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.213 0.156 25177 2359 1 6 . 1 1 58 58 LYS H H 58 7.989 7.989 8.063 -0.074 25177 2360 1 6 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.929 0.215 25177 2361 1 6 . 1 1 59 59 GLU C C 59 178.877 178.877 178.884 -0.007 25177 2362 1 6 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.568 -0.149 25177 2363 1 6 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.590 -0.357 25177 2364 1 6 . 1 1 59 59 GLU H H 59 7.891 7.891 8.343 -0.452 25177 2365 1 6 . 1 1 60 60 ALA N N 60 122.069 122.069 121.666 0.403 25177 2366 1 6 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.963 -0.027 25177 2367 1 6 . 1 1 60 60 ALA C C 60 178.379 178.379 179.565 -1.186 25177 2368 1 6 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.208 -0.314 25177 2369 1 6 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.197 -0.669 25177 2370 1 6 . 1 1 60 60 ALA H H 60 8.480 8.480 8.028 0.452 25177 2371 1 6 . 1 1 61 61 ALA N N 61 121.446 121.446 121.405 0.041 25177 2372 1 6 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.986 0.159 25177 2373 1 6 . 1 1 61 61 ALA C C 61 178.579 178.579 179.375 -0.796 25177 2374 1 6 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.922 0.518 25177 2375 1 6 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.479 -0.313 25177 2376 1 6 . 1 1 61 61 ALA H H 61 7.702 7.702 8.074 -0.372 25177 2377 1 6 . 1 1 62 62 ALA N N 62 119.705 119.705 121.724 -2.019 25177 2378 1 6 . 1 1 62 62 ALA HA H 62 4.032 4.032 3.966 0.066 25177 2379 1 6 . 1 1 62 62 ALA C C 62 180.829 180.829 179.588 1.241 25177 2380 1 6 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.877 -0.082 25177 2381 1 6 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.417 -0.745 25177 2382 1 6 . 1 1 62 62 ALA H H 62 7.818 7.818 7.755 0.063 25177 2383 1 6 . 1 1 63 63 ILE N N 63 121.021 121.021 119.364 1.657 25177 2384 1 6 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.581 0.270 25177 2385 1 6 . 1 1 63 63 ILE C C 63 178.076 178.076 177.858 0.218 25177 2386 1 6 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.461 -0.773 25177 2387 1 6 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.453 0.502 25177 2388 1 6 . 1 1 63 63 ILE H H 63 7.876 7.876 8.065 -0.189 25177 2389 1 6 . 1 1 64 64 ARG N N 64 121.460 121.460 120.620 0.840 25177 2390 1 6 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.827 0.064 25177 2391 1 6 . 1 1 64 64 ARG C C 64 178.617 178.617 178.115 0.502 25177 2392 1 6 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.256 0.071 25177 2393 1 6 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.972 -0.650 25177 2394 1 6 . 1 1 64 64 ARG H H 64 8.023 8.023 8.162 -0.139 25177 2395 1 6 . 1 1 65 65 ASP N N 65 119.343 119.343 119.230 0.113 25177 2396 1 6 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.305 0.080 25177 2397 1 6 . 1 1 65 65 ASP C C 65 178.827 178.827 178.828 -0.001 25177 2398 1 6 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.205 0.108 25177 2399 1 6 . 1 1 65 65 ASP CB C 65 40.363 40.363 39.911 0.452 25177 2400 1 6 . 1 1 65 65 ASP H H 65 8.046 8.046 8.156 -0.110 25177 2401 1 6 . 1 1 66 66 GLU N N 66 121.291 121.291 119.943 1.348 25177 2402 1 6 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.618 0.420 25177 2403 1 6 . 1 1 66 66 GLU C C 66 178.410 178.410 178.616 -0.206 25177 2404 1 6 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.190 -0.296 25177 2405 1 6 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.418 0.058 25177 2406 1 6 . 1 1 66 66 GLU H H 66 7.931 7.931 7.904 0.027 25177 2407 1 6 . 1 1 67 67 CYS N N 67 117.825 117.825 117.778 0.047 25177 2408 1 6 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.144 0.055 25177 2409 1 6 . 1 1 67 67 CYS C C 67 176.095 176.095 177.138 -1.043 25177 2410 1 6 . 1 1 67 67 CYS CA C 67 61.485 61.485 63.928 -2.443 25177 2411 1 6 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.578 -0.568 25177 2412 1 6 . 1 1 67 67 CYS H H 67 8.009 8.009 8.174 -0.165 25177 2413 1 6 . 1 1 68 68 GLN N N 68 118.847 118.847 118.156 0.691 25177 2414 1 6 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.131 -0.014 25177 2415 1 6 . 1 1 68 68 GLN C C 68 177.110 177.110 177.640 -0.530 25177 2416 1 6 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.476 -1.022 25177 2417 1 6 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.387 -0.038 25177 2418 1 6 . 1 1 68 68 GLN H H 68 7.906 7.906 7.967 -0.061 25177 2419 1 6 . 1 1 69 69 ALA N N 69 122.260 122.260 119.097 3.163 25177 2420 1 6 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.175 -0.072 25177 2421 1 6 . 1 1 69 69 ALA C C 69 178.367 178.367 177.936 0.431 25177 2422 1 6 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.367 0.315 25177 2423 1 6 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.331 -0.135 25177 2424 1 6 . 1 1 69 69 ALA H H 69 7.648 7.648 7.509 0.139 25177 2425 1 6 . 1 1 70 70 TYR N N 70 117.039 117.039 117.372 -0.333 25177 2426 1 6 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.573 -0.163 25177 2427 1 6 . 1 1 70 70 TYR C C 70 176.061 176.061 176.925 -0.864 25177 2428 1 6 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.477 -0.021 25177 2429 1 6 . 1 1 70 70 TYR CB C 70 38.211 38.211 40.119 -1.908 25177 2430 1 6 . 1 1 70 70 TYR H H 70 7.541 7.541 7.246 0.295 25177 2431 1 6 . 1 1 71 71 ARG N N 71 120.503 120.503 118.763 1.740 25177 2432 1 6 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.567 -0.323 25177 2433 1 6 . 1 1 71 71 ARG C C 71 175.759 175.759 175.252 0.507 25177 2434 1 6 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.131 -0.111 25177 2435 1 6 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.858 -0.229 25177 2436 1 6 . 1 1 71 71 ARG H H 71 7.541 7.541 8.290 -0.749 25177 2437 1 6 . 1 1 72 72 HIS N N 72 120.119 120.119 116.176 3.943 25177 2438 1 6 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.614 0.050 25177 2439 1 6 . 1 1 72 72 HIS C C 72 173.738 173.738 173.014 0.724 25177 2440 1 6 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.414 -1.021 25177 2441 1 6 . 1 1 72 72 HIS CB C 72 29.761 29.761 30.117 -0.357 25177 2442 1 6 . 1 1 72 72 HIS H H 72 8.126 8.126 8.191 -0.065 25177 2443 1 7 . 1 1 3 3 SER HA H 3 4.362 4.362 4.881 -0.519 25177 2444 1 7 . 1 1 3 3 SER C C 3 176.187 176.187 174.556 1.631 25177 2445 1 7 . 1 1 3 3 SER CA C 3 55.064 55.064 58.093 -3.029 25177 2446 1 7 . 1 1 3 3 SER CB C 3 61.154 61.154 63.042 -1.888 25177 2447 1 7 . 1 1 4 4 TRP N N 4 122.487 122.487 124.600 -2.113 25177 2448 1 7 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.452 0.080 25177 2449 1 7 . 1 1 4 4 TRP C C 4 177.481 177.481 176.267 1.214 25177 2450 1 7 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.837 -1.296 25177 2451 1 7 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.982 -0.425 25177 2452 1 7 . 1 1 4 4 TRP H H 4 8.287 8.287 8.108 0.179 25177 2453 1 7 . 1 1 5 5 ALA N N 5 121.306 121.306 121.243 0.063 25177 2454 1 7 . 1 1 5 5 ALA HA H 5 3.882 3.882 4.052 -0.170 25177 2455 1 7 . 1 1 5 5 ALA C C 5 180.462 180.462 179.718 0.744 25177 2456 1 7 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.921 -0.523 25177 2457 1 7 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.899 0.130 25177 2458 1 7 . 1 1 5 5 ALA H H 5 8.287 8.287 8.729 -0.442 25177 2459 1 7 . 1 1 6 6 GLU N N 6 118.841 118.841 118.586 0.255 25177 2460 1 7 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.056 0.006 25177 2461 1 7 . 1 1 6 6 GLU C C 6 179.425 179.425 179.201 0.224 25177 2462 1 7 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.522 -0.280 25177 2463 1 7 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.515 -0.298 25177 2464 1 7 . 1 1 6 6 GLU H H 6 7.805 7.805 8.398 -0.593 25177 2465 1 7 . 1 1 7 7 PHE N N 7 120.314 120.314 119.654 0.660 25177 2466 1 7 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.409 -0.044 25177 2467 1 7 . 1 1 7 7 PHE C C 7 178.168 178.168 178.115 0.053 25177 2468 1 7 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.293 0.107 25177 2469 1 7 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.651 0.523 25177 2470 1 7 . 1 1 7 7 PHE H H 7 7.950 7.950 7.869 0.081 25177 2471 1 7 . 1 1 8 8 LYS N N 8 119.370 119.370 119.387 -0.017 25177 2472 1 7 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.814 -0.007 25177 2473 1 7 . 1 1 8 8 LYS C C 8 179.501 179.501 179.061 0.440 25177 2474 1 7 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.861 0.241 25177 2475 1 7 . 1 1 8 8 LYS CB C 8 31.793 31.793 32.062 -0.269 25177 2476 1 7 . 1 1 8 8 LYS H H 8 8.214 8.214 8.375 -0.161 25177 2477 1 7 . 1 1 9 9 GLN N N 9 120.219 120.219 119.390 0.829 25177 2478 1 7 . 1 1 9 9 GLN HA H 9 4.075 4.075 4.012 0.063 25177 2479 1 7 . 1 1 9 9 GLN C C 9 178.818 178.818 178.468 0.350 25177 2480 1 7 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.441 -0.843 25177 2481 1 7 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.744 -0.644 25177 2482 1 7 . 1 1 9 9 GLN H H 9 7.859 7.859 8.156 -0.297 25177 2483 1 7 . 1 1 10 10 ARG N N 10 122.005 122.005 119.878 2.127 25177 2484 1 7 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.951 0.102 25177 2485 1 7 . 1 1 10 10 ARG C C 10 179.057 179.057 178.974 0.083 25177 2486 1 7 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.568 -0.493 25177 2487 1 7 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.899 0.636 25177 2488 1 7 . 1 1 10 10 ARG H H 10 8.135 8.135 8.073 0.062 25177 2489 1 7 . 1 1 11 11 LEU N N 11 120.796 120.796 119.433 1.363 25177 2490 1 7 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.805 -0.164 25177 2491 1 7 . 1 1 11 11 LEU C C 11 177.921 177.921 178.627 -0.706 25177 2492 1 7 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.489 -0.263 25177 2493 1 7 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.553 -0.949 25177 2494 1 7 . 1 1 11 11 LEU H H 11 8.066 8.066 8.113 -0.047 25177 2495 1 7 . 1 1 12 12 ALA N N 12 121.596 121.596 122.145 -0.549 25177 2496 1 7 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.877 0.136 25177 2497 1 7 . 1 1 12 12 ALA C C 12 180.299 180.299 179.075 1.224 25177 2498 1 7 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.073 -0.018 25177 2499 1 7 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.942 -0.511 25177 2500 1 7 . 1 1 12 12 ALA H H 12 7.670 7.670 7.947 -0.277 25177 2501 1 7 . 1 1 13 13 ALA N N 13 121.486 121.486 121.408 0.078 25177 2502 1 7 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.982 0.180 25177 2503 1 7 . 1 1 13 13 ALA C C 13 180.732 180.732 179.490 1.242 25177 2504 1 7 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.944 -0.063 25177 2505 1 7 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.301 -0.485 25177 2506 1 7 . 1 1 13 13 ALA H H 13 7.601 7.601 7.919 -0.318 25177 2507 1 7 . 1 1 14 14 ILE N N 14 121.912 121.912 118.425 3.487 25177 2508 1 7 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.055 0.619 25177 2509 1 7 . 1 1 14 14 ILE C C 14 177.883 177.883 177.748 0.135 25177 2510 1 7 . 1 1 14 14 ILE CA C 14 65.821 65.821 64.988 0.833 25177 2511 1 7 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.564 0.514 25177 2512 1 7 . 1 1 14 14 ILE H H 14 7.843 7.843 7.972 -0.129 25177 2513 1 7 . 1 1 15 15 LYS N N 15 121.705 121.705 120.378 1.327 25177 2514 1 7 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.854 -0.017 25177 2515 1 7 . 1 1 15 15 LYS C C 15 178.896 178.896 178.815 0.081 25177 2516 1 7 . 1 1 15 15 LYS CA C 15 60.438 60.438 59.942 0.496 25177 2517 1 7 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.291 -0.174 25177 2518 1 7 . 1 1 15 15 LYS H H 15 8.439 8.439 8.052 0.387 25177 2519 1 7 . 1 1 16 16 THR N N 16 115.218 115.218 116.841 -1.623 25177 2520 1 7 . 1 1 16 16 THR HA H 16 3.919 3.919 3.859 0.060 25177 2521 1 7 . 1 1 16 16 THR C C 16 176.872 176.872 176.831 0.041 25177 2522 1 7 . 1 1 16 16 THR CA C 16 66.297 66.297 66.989 -0.692 25177 2523 1 7 . 1 1 16 16 THR CB C 16 69.045 69.045 68.654 0.391 25177 2524 1 7 . 1 1 16 16 THR H H 16 7.936 7.936 8.048 -0.112 25177 2525 1 7 . 1 1 17 17 ARG N N 17 122.508 122.508 120.761 1.747 25177 2526 1 7 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.041 -0.022 25177 2527 1 7 . 1 1 17 17 ARG C C 17 178.281 178.281 178.610 -0.329 25177 2528 1 7 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.351 -0.381 25177 2529 1 7 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.999 0.139 25177 2530 1 7 . 1 1 17 17 ARG H H 17 7.781 7.781 8.009 -0.228 25177 2531 1 7 . 1 1 18 18 CYS N N 18 119.296 119.296 117.937 1.359 25177 2532 1 7 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.196 -0.722 25177 2533 1 7 . 1 1 18 18 CYS C C 18 176.151 176.151 176.327 -0.176 25177 2534 1 7 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.552 -0.197 25177 2535 1 7 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.263 -0.691 25177 2536 1 7 . 1 1 18 18 CYS H H 18 8.158 8.158 7.509 0.649 25177 2537 1 7 . 1 1 19 19 GLN N N 19 116.825 116.825 118.459 -1.634 25177 2538 1 7 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.252 -0.212 25177 2539 1 7 . 1 1 19 19 GLN C C 19 176.178 176.178 177.553 -1.375 25177 2540 1 7 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.266 -0.887 25177 2541 1 7 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.152 -0.868 25177 2542 1 7 . 1 1 19 19 GLN H H 19 7.523 7.523 7.979 -0.456 25177 2543 1 7 . 1 1 20 20 ALA N N 20 121.265 121.265 120.237 1.028 25177 2544 1 7 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.260 0.101 25177 2545 1 7 . 1 1 20 20 ALA C C 20 177.491 177.491 177.621 -0.130 25177 2546 1 7 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.442 -0.572 25177 2547 1 7 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.921 -0.730 25177 2548 1 7 . 1 1 20 20 ALA H H 20 7.322 7.322 7.711 -0.389 25177 2549 1 7 . 1 1 21 21 LEU N N 21 120.570 120.570 118.731 1.839 25177 2550 1 7 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.994 0.036 25177 2551 1 7 . 1 1 21 21 LEU C C 21 177.889 177.889 177.714 0.175 25177 2552 1 7 . 1 1 21 21 LEU CA C 21 55.960 55.960 54.584 1.376 25177 2553 1 7 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.423 3.065 25177 2554 1 7 . 1 1 21 21 LEU H H 21 7.200 7.200 7.786 -0.586 25177 2555 1 7 . 1 1 22 22 GLY N N 22 109.881 109.881 107.438 2.443 25177 2556 1 7 . 1 1 22 22 GLY C C 22 174.896 174.896 175.401 -0.505 25177 2557 1 7 . 1 1 22 22 GLY CA C 22 45.562 45.562 46.294 -0.732 25177 2558 1 7 . 1 1 22 22 GLY H H 22 8.454 8.454 8.492 -0.038 25177 2559 1 7 . 1 1 23 23 GLY N N 23 107.014 107.014 107.976 -0.962 25177 2560 1 7 . 1 1 23 23 GLY C C 23 174.347 174.347 174.131 0.216 25177 2561 1 7 . 1 1 23 23 GLY CA C 23 45.514 45.514 44.573 0.941 25177 2562 1 7 . 1 1 23 23 GLY H H 23 7.759 7.759 8.355 -0.596 25177 2563 1 7 . 1 1 24 24 SER N N 24 116.572 116.572 117.762 -1.190 25177 2564 1 7 . 1 1 24 24 SER HA H 24 4.519 4.519 4.753 -0.234 25177 2565 1 7 . 1 1 24 24 SER C C 24 175.184 175.184 174.769 0.415 25177 2566 1 7 . 1 1 24 24 SER CA C 24 57.853 57.853 57.401 0.452 25177 2567 1 7 . 1 1 24 24 SER CB C 24 64.487 64.487 64.622 -0.135 25177 2568 1 7 . 1 1 24 24 SER H H 24 8.096 8.096 8.162 -0.066 25177 2569 1 7 . 1 1 25 25 GLU N N 25 126.083 126.083 127.004 -0.921 25177 2570 1 7 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.000 -0.147 25177 2571 1 7 . 1 1 25 25 GLU C C 25 178.773 178.773 177.626 1.147 25177 2572 1 7 . 1 1 25 25 GLU CA C 25 59.974 59.974 59.054 0.920 25177 2573 1 7 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.188 -0.006 25177 2574 1 7 . 1 1 25 25 GLU H H 25 9.042 9.042 9.197 -0.155 25177 2575 1 7 . 1 1 26 26 ALA N N 26 121.614 121.614 123.339 -1.725 25177 2576 1 7 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.189 -0.042 25177 2577 1 7 . 1 1 26 26 ALA C C 26 180.987 180.987 179.241 1.746 25177 2578 1 7 . 1 1 26 26 ALA CA C 26 54.991 54.991 54.327 0.664 25177 2579 1 7 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.188 -0.089 25177 2580 1 7 . 1 1 26 26 ALA H H 26 8.514 8.514 8.065 0.449 25177 2581 1 7 . 1 1 27 27 GLU N N 27 119.564 119.564 119.954 -0.390 25177 2582 1 7 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.504 0.607 25177 2583 1 7 . 1 1 27 27 GLU C C 27 179.198 179.198 178.274 0.924 25177 2584 1 7 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.262 -0.436 25177 2585 1 7 . 1 1 27 27 GLU CB C 27 29.958 29.958 29.189 0.769 25177 2586 1 7 . 1 1 27 27 GLU H H 27 7.757 7.757 8.509 -0.752 25177 2587 1 7 . 1 1 28 28 CYS N N 28 120.060 120.060 116.768 3.292 25177 2588 1 7 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.235 -0.104 25177 2589 1 7 . 1 1 28 28 CYS C C 28 176.521 176.521 176.725 -0.204 25177 2590 1 7 . 1 1 28 28 CYS CA C 28 63.711 63.711 64.100 -0.389 25177 2591 1 7 . 1 1 28 28 CYS CB C 28 26.601 26.601 27.345 -0.744 25177 2592 1 7 . 1 1 28 28 CYS H H 28 8.145 8.145 7.652 0.493 25177 2593 1 7 . 1 1 29 29 ALA N N 29 122.930 122.930 121.967 0.963 25177 2594 1 7 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.939 0.271 25177 2595 1 7 . 1 1 29 29 ALA C C 29 179.659 179.659 178.772 0.887 25177 2596 1 7 . 1 1 29 29 ALA CA C 29 54.894 54.894 54.890 0.004 25177 2597 1 7 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.968 -0.268 25177 2598 1 7 . 1 1 29 29 ALA H H 29 8.342 8.342 7.460 0.882 25177 2599 1 7 . 1 1 30 30 ALA N N 30 121.235 121.235 121.318 -0.083 25177 2600 1 7 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.946 0.279 25177 2601 1 7 . 1 1 30 30 ALA C C 30 180.452 180.452 179.558 0.894 25177 2602 1 7 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.853 0.107 25177 2603 1 7 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.099 -0.350 25177 2604 1 7 . 1 1 30 30 ALA H H 30 7.676 7.676 8.101 -0.425 25177 2605 1 7 . 1 1 31 31 PHE N N 31 121.297 121.297 117.465 3.832 25177 2606 1 7 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.093 0.248 25177 2607 1 7 . 1 1 31 31 PHE C C 31 177.355 177.355 178.041 -0.686 25177 2608 1 7 . 1 1 31 31 PHE CA C 31 61.019 61.019 59.479 1.540 25177 2609 1 7 . 1 1 31 31 PHE CB C 31 39.314 39.314 37.812 1.502 25177 2610 1 7 . 1 1 31 31 PHE H H 31 8.086 8.086 7.588 0.498 25177 2611 1 7 . 1 1 32 32 GLU N N 32 119.861 119.861 120.598 -0.737 25177 2612 1 7 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.840 -0.056 25177 2613 1 7 . 1 1 32 32 GLU C C 32 178.906 178.906 178.945 -0.039 25177 2614 1 7 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.073 -0.129 25177 2615 1 7 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.462 -0.519 25177 2616 1 7 . 1 1 32 32 GLU H H 32 8.417 8.417 8.332 0.085 25177 2617 1 7 . 1 1 33 33 LYS N N 33 118.133 118.133 119.487 -1.354 25177 2618 1 7 . 1 1 33 33 LYS HA H 33 4.044 4.044 4.014 0.030 25177 2619 1 7 . 1 1 33 33 LYS C C 33 179.471 179.471 179.022 0.449 25177 2620 1 7 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.800 -0.403 25177 2621 1 7 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.444 -0.213 25177 2622 1 7 . 1 1 33 33 LYS H H 33 7.491 7.491 7.945 -0.454 25177 2623 1 7 . 1 1 34 34 GLU N N 34 121.763 121.763 119.642 2.121 25177 2624 1 7 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.943 0.173 25177 2625 1 7 . 1 1 34 34 GLU C C 34 179.955 179.955 179.213 0.742 25177 2626 1 7 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.518 -0.002 25177 2627 1 7 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.400 0.063 25177 2628 1 7 . 1 1 34 34 GLU H H 34 7.699 7.699 8.128 -0.429 25177 2629 1 7 . 1 1 35 35 ILE N N 35 121.167 121.167 119.228 1.939 25177 2630 1 7 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.672 0.111 25177 2631 1 7 . 1 1 35 35 ILE C C 35 177.219 177.219 178.035 -0.816 25177 2632 1 7 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.553 0.408 25177 2633 1 7 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.574 1.082 25177 2634 1 7 . 1 1 35 35 ILE H H 35 8.120 8.120 8.449 -0.329 25177 2635 1 7 . 1 1 36 36 ALA N N 36 124.132 124.132 123.300 0.832 25177 2636 1 7 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.202 0.144 25177 2637 1 7 . 1 1 36 36 ALA C C 36 180.915 180.915 179.700 1.215 25177 2638 1 7 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.103 -0.099 25177 2639 1 7 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.131 -0.371 25177 2640 1 7 . 1 1 36 36 ALA H H 36 8.161 8.161 7.877 0.284 25177 2641 1 7 . 1 1 37 37 ALA N N 37 121.980 121.980 121.015 0.965 25177 2642 1 7 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.155 0.035 25177 2643 1 7 . 1 1 37 37 ALA C C 37 180.126 180.126 179.725 0.401 25177 2644 1 7 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.880 0.161 25177 2645 1 7 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.404 -0.804 25177 2646 1 7 . 1 1 37 37 ALA H H 37 7.887 7.887 8.105 -0.218 25177 2647 1 7 . 1 1 38 38 PHE N N 38 121.517 121.517 119.451 2.066 25177 2648 1 7 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.198 -0.005 25177 2649 1 7 . 1 1 38 38 PHE C C 38 177.044 177.044 178.049 -1.005 25177 2650 1 7 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.657 0.828 25177 2651 1 7 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.775 0.302 25177 2652 1 7 . 1 1 38 38 PHE H H 38 7.751 7.751 8.176 -0.425 25177 2653 1 7 . 1 1 39 39 GLU N N 39 118.815 118.815 118.037 0.778 25177 2654 1 7 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.887 -0.249 25177 2655 1 7 . 1 1 39 39 GLU C C 39 179.591 179.591 178.832 0.759 25177 2656 1 7 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.591 0.830 25177 2657 1 7 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.081 0.781 25177 2658 1 7 . 1 1 39 39 GLU H H 39 8.746 8.746 8.612 0.134 25177 2659 1 7 . 1 1 40 40 SER N N 40 115.384 115.384 115.825 -0.441 25177 2660 1 7 . 1 1 40 40 SER HA H 40 4.176 4.176 4.210 -0.034 25177 2661 1 7 . 1 1 40 40 SER C C 40 177.354 177.354 177.046 0.308 25177 2662 1 7 . 1 1 40 40 SER CA C 40 61.771 61.771 61.033 0.738 25177 2663 1 7 . 1 1 40 40 SER CB C 40 62.786 62.786 63.002 -0.216 25177 2664 1 7 . 1 1 40 40 SER H H 40 8.171 8.171 8.162 0.009 25177 2665 1 7 . 1 1 41 41 GLU N N 41 123.650 123.650 121.042 2.608 25177 2666 1 7 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.271 -0.198 25177 2667 1 7 . 1 1 41 41 GLU C C 41 179.360 179.360 178.618 0.742 25177 2668 1 7 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.682 0.828 25177 2669 1 7 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.081 -0.560 25177 2670 1 7 . 1 1 41 41 GLU H H 41 7.819 7.819 8.028 -0.209 25177 2671 1 7 . 1 1 42 42 LEU N N 42 119.352 119.352 118.413 0.939 25177 2672 1 7 . 1 1 42 42 LEU HA H 42 3.767 3.767 3.596 0.171 25177 2673 1 7 . 1 1 42 42 LEU C C 42 179.152 179.152 178.435 0.717 25177 2674 1 7 . 1 1 42 42 LEU CA C 42 56.964 56.964 56.923 0.041 25177 2675 1 7 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.070 -0.578 25177 2676 1 7 . 1 1 42 42 LEU H H 42 7.816 7.816 7.935 -0.119 25177 2677 1 7 . 1 1 43 43 GLN N N 43 118.423 118.423 118.545 -0.122 25177 2678 1 7 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.121 -0.163 25177 2679 1 7 . 1 1 43 43 GLN C C 43 177.081 177.081 176.894 0.187 25177 2680 1 7 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.983 0.182 25177 2681 1 7 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.187 0.020 25177 2682 1 7 . 1 1 43 43 GLN H H 43 7.785 7.785 8.118 -0.333 25177 2683 1 7 . 1 1 44 44 ALA N N 44 120.300 120.300 121.205 -0.905 25177 2684 1 7 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.268 -0.107 25177 2685 1 7 . 1 1 44 44 ALA C C 44 177.823 177.823 178.729 -0.906 25177 2686 1 7 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.672 -0.516 25177 2687 1 7 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.526 -0.101 25177 2688 1 7 . 1 1 44 44 ALA H H 44 7.380 7.380 7.958 -0.578 25177 2689 1 7 . 1 1 45 45 TYR N N 45 118.887 118.887 118.003 0.884 25177 2690 1 7 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.194 0.179 25177 2691 1 7 . 1 1 45 45 TYR C C 45 176.018 176.018 176.394 -0.376 25177 2692 1 7 . 1 1 45 45 TYR CA C 45 58.749 58.749 59.168 -0.419 25177 2693 1 7 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.599 0.198 25177 2694 1 7 . 1 1 45 45 TYR H H 45 7.438 7.438 7.539 -0.101 25177 2695 1 7 . 1 1 46 46 LYS N N 46 124.177 124.177 115.458 8.719 25177 2696 1 7 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.027 0.159 25177 2697 1 7 . 1 1 46 46 LYS C C 46 176.900 176.900 176.721 0.179 25177 2698 1 7 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.759 -0.041 25177 2699 1 7 . 1 1 46 46 LYS CB C 46 32.774 32.774 30.032 2.741 25177 2700 1 7 . 1 1 46 46 LYS H H 46 7.884 7.884 8.412 -0.528 25177 2701 1 7 . 1 1 47 47 GLY N N 47 109.590 109.590 107.472 2.118 25177 2702 1 7 . 1 1 47 47 GLY C C 47 174.029 174.029 174.199 -0.170 25177 2703 1 7 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.653 0.944 25177 2704 1 7 . 1 1 47 47 GLY H H 47 7.662 7.662 8.741 -1.079 25177 2705 1 7 . 1 1 48 48 LYS N N 48 120.521 120.521 118.471 2.050 25177 2706 1 7 . 1 1 48 48 LYS HA H 48 3.921 3.921 3.879 0.042 25177 2707 1 7 . 1 1 48 48 LYS C C 48 177.262 177.262 176.188 1.074 25177 2708 1 7 . 1 1 48 48 LYS CA C 48 56.345 56.345 56.884 -0.539 25177 2709 1 7 . 1 1 48 48 LYS CB C 48 32.878 32.878 31.142 1.736 25177 2710 1 7 . 1 1 48 48 LYS H H 48 8.049 8.049 8.344 -0.295 25177 2711 1 7 . 1 1 49 49 GLY N N 49 110.678 110.678 105.446 5.232 25177 2712 1 7 . 1 1 49 49 GLY C C 49 173.842 173.842 174.298 -0.456 25177 2713 1 7 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.283 0.302 25177 2714 1 7 . 1 1 49 49 GLY H H 49 8.604 8.604 8.404 0.200 25177 2715 1 7 . 1 1 50 50 ASN N N 50 120.298 120.298 118.847 1.451 25177 2716 1 7 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.784 0.172 25177 2717 1 7 . 1 1 50 50 ASN C C 50 177.904 177.904 175.344 2.560 25177 2718 1 7 . 1 1 50 50 ASN CA C 50 51.649 51.649 51.594 0.055 25177 2719 1 7 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.690 0.253 25177 2720 1 7 . 1 1 50 50 ASN H H 50 8.045 8.045 7.739 0.306 25177 2721 1 7 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.323 -0.051 25177 2722 1 7 . 1 1 51 51 PRO C C 51 178.931 178.931 177.933 0.998 25177 2723 1 7 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.689 0.420 25177 2724 1 7 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.024 -0.190 25177 2725 1 7 . 1 1 52 52 GLU N N 52 119.291 119.291 118.986 0.305 25177 2726 1 7 . 1 1 52 52 GLU HA H 52 4.059 4.059 4.324 -0.265 25177 2727 1 7 . 1 1 52 52 GLU C C 52 178.805 178.805 178.375 0.430 25177 2728 1 7 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.553 -0.380 25177 2729 1 7 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.425 0.260 25177 2730 1 7 . 1 1 52 52 GLU H H 52 8.344 8.344 8.632 -0.288 25177 2731 1 7 . 1 1 53 53 VAL N N 53 120.013 120.013 119.742 0.271 25177 2732 1 7 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.827 -0.325 25177 2733 1 7 . 1 1 53 53 VAL C C 53 177.587 177.587 178.340 -0.753 25177 2734 1 7 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.584 0.362 25177 2735 1 7 . 1 1 53 53 VAL CB C 53 31.475 31.475 30.821 0.654 25177 2736 1 7 . 1 1 53 53 VAL H H 53 7.304 7.304 7.687 -0.383 25177 2737 1 7 . 1 1 54 54 GLU N N 54 119.848 119.848 120.595 -0.747 25177 2738 1 7 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.070 -0.022 25177 2739 1 7 . 1 1 54 54 GLU C C 54 178.910 178.910 178.751 0.159 25177 2740 1 7 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.650 -0.793 25177 2741 1 7 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.026 -0.327 25177 2742 1 7 . 1 1 54 54 GLU H H 54 7.820 7.820 7.682 0.138 25177 2743 1 7 . 1 1 55 55 ALA N N 55 121.463 121.463 122.351 -0.888 25177 2744 1 7 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.150 -0.005 25177 2745 1 7 . 1 1 55 55 ALA C C 55 180.920 180.920 179.791 1.129 25177 2746 1 7 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.193 0.066 25177 2747 1 7 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.587 -0.787 25177 2748 1 7 . 1 1 55 55 ALA H H 55 7.701 7.701 7.641 0.060 25177 2749 1 7 . 1 1 56 56 LEU N N 56 120.343 120.343 118.807 1.536 25177 2750 1 7 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.834 0.311 25177 2751 1 7 . 1 1 56 56 LEU C C 56 178.721 178.721 179.010 -0.289 25177 2752 1 7 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.148 -0.249 25177 2753 1 7 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.535 0.663 25177 2754 1 7 . 1 1 56 56 LEU H H 56 7.656 7.656 7.678 -0.022 25177 2755 1 7 . 1 1 57 57 ARG N N 57 119.950 119.950 117.899 2.051 25177 2756 1 7 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.981 -0.160 25177 2757 1 7 . 1 1 57 57 ARG C C 57 179.667 179.667 178.277 1.390 25177 2758 1 7 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.288 0.899 25177 2759 1 7 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.637 -0.452 25177 2760 1 7 . 1 1 57 57 ARG H H 57 8.350 8.350 8.368 -0.018 25177 2761 1 7 . 1 1 58 58 LYS N N 58 120.501 120.501 120.638 -0.137 25177 2762 1 7 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.010 0.020 25177 2763 1 7 . 1 1 58 58 LYS C C 58 179.448 179.448 178.978 0.470 25177 2764 1 7 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.709 -0.131 25177 2765 1 7 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.280 0.089 25177 2766 1 7 . 1 1 58 58 LYS H H 58 7.989 7.989 8.100 -0.111 25177 2767 1 7 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.951 0.193 25177 2768 1 7 . 1 1 59 59 GLU C C 59 178.877 178.877 178.920 -0.043 25177 2769 1 7 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.427 -0.008 25177 2770 1 7 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.021 0.212 25177 2771 1 7 . 1 1 59 59 GLU H H 59 7.891 7.891 8.132 -0.241 25177 2772 1 7 . 1 1 60 60 ALA N N 60 122.069 122.069 121.631 0.438 25177 2773 1 7 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.969 -0.033 25177 2774 1 7 . 1 1 60 60 ALA C C 60 178.379 178.379 179.621 -1.242 25177 2775 1 7 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.177 -0.283 25177 2776 1 7 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.111 -0.583 25177 2777 1 7 . 1 1 60 60 ALA H H 60 8.480 8.480 8.048 0.432 25177 2778 1 7 . 1 1 61 61 ALA N N 61 121.446 121.446 121.415 0.031 25177 2779 1 7 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.971 0.174 25177 2780 1 7 . 1 1 61 61 ALA C C 61 178.579 178.579 179.380 -0.801 25177 2781 1 7 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.985 0.455 25177 2782 1 7 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.443 -0.277 25177 2783 1 7 . 1 1 61 61 ALA H H 61 7.702 7.702 7.993 -0.291 25177 2784 1 7 . 1 1 62 62 ALA N N 62 119.705 119.705 121.850 -2.145 25177 2785 1 7 . 1 1 62 62 ALA HA H 62 4.032 4.032 3.988 0.044 25177 2786 1 7 . 1 1 62 62 ALA C C 62 180.829 180.829 179.691 1.138 25177 2787 1 7 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.865 -0.070 25177 2788 1 7 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.411 -0.739 25177 2789 1 7 . 1 1 62 62 ALA H H 62 7.818 7.818 7.808 0.010 25177 2790 1 7 . 1 1 63 63 ILE N N 63 121.021 121.021 119.540 1.481 25177 2791 1 7 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.958 -0.107 25177 2792 1 7 . 1 1 63 63 ILE C C 63 178.076 178.076 177.964 0.112 25177 2793 1 7 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.205 -0.517 25177 2794 1 7 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.475 0.480 25177 2795 1 7 . 1 1 63 63 ILE H H 63 7.876 7.876 8.116 -0.240 25177 2796 1 7 . 1 1 64 64 ARG N N 64 121.460 121.460 120.495 0.965 25177 2797 1 7 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.808 0.083 25177 2798 1 7 . 1 1 64 64 ARG C C 64 178.617 178.617 178.134 0.483 25177 2799 1 7 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.258 0.069 25177 2800 1 7 . 1 1 64 64 ARG CB C 64 29.322 29.322 30.003 -0.681 25177 2801 1 7 . 1 1 64 64 ARG H H 64 8.023 8.023 8.120 -0.097 25177 2802 1 7 . 1 1 65 65 ASP N N 65 119.343 119.343 119.508 -0.165 25177 2803 1 7 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.594 -0.209 25177 2804 1 7 . 1 1 65 65 ASP C C 65 178.827 178.827 178.847 -0.020 25177 2805 1 7 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.408 -0.095 25177 2806 1 7 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.508 -0.145 25177 2807 1 7 . 1 1 65 65 ASP H H 65 8.046 8.046 8.131 -0.085 25177 2808 1 7 . 1 1 66 66 GLU N N 66 121.291 121.291 120.277 1.014 25177 2809 1 7 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.597 0.441 25177 2810 1 7 . 1 1 66 66 GLU C C 66 178.410 178.410 178.522 -0.112 25177 2811 1 7 . 1 1 66 66 GLU CA C 66 58.893 58.893 58.885 0.008 25177 2812 1 7 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.337 0.139 25177 2813 1 7 . 1 1 66 66 GLU H H 66 7.931 7.931 7.929 0.002 25177 2814 1 7 . 1 1 67 67 CYS N N 67 117.825 117.825 117.962 -0.137 25177 2815 1 7 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.068 0.131 25177 2816 1 7 . 1 1 67 67 CYS C C 67 176.095 176.095 177.015 -0.920 25177 2817 1 7 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.174 -2.689 25177 2818 1 7 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.551 -0.540 25177 2819 1 7 . 1 1 67 67 CYS H H 67 8.009 8.009 8.008 0.001 25177 2820 1 7 . 1 1 68 68 GLN N N 68 118.847 118.847 118.282 0.565 25177 2821 1 7 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.204 -0.087 25177 2822 1 7 . 1 1 68 68 GLN C C 68 177.110 177.110 177.405 -0.295 25177 2823 1 7 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.290 -0.836 25177 2824 1 7 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.621 -0.273 25177 2825 1 7 . 1 1 68 68 GLN H H 68 7.906 7.906 7.875 0.031 25177 2826 1 7 . 1 1 69 69 ALA N N 69 122.260 122.260 119.203 3.057 25177 2827 1 7 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.294 -0.191 25177 2828 1 7 . 1 1 69 69 ALA C C 69 178.367 178.367 177.490 0.877 25177 2829 1 7 . 1 1 69 69 ALA CA C 69 53.682 53.682 52.781 0.901 25177 2830 1 7 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.830 -0.634 25177 2831 1 7 . 1 1 69 69 ALA H H 69 7.648 7.648 7.678 -0.030 25177 2832 1 7 . 1 1 70 70 TYR N N 70 117.039 117.039 117.904 -0.865 25177 2833 1 7 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.606 -0.196 25177 2834 1 7 . 1 1 70 70 TYR C C 70 176.061 176.061 177.346 -1.285 25177 2835 1 7 . 1 1 70 70 TYR CA C 70 58.456 58.456 59.170 -0.714 25177 2836 1 7 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.304 -1.093 25177 2837 1 7 . 1 1 70 70 TYR H H 70 7.541 7.541 7.396 0.145 25177 2838 1 7 . 1 1 71 71 ARG N N 71 120.503 120.503 118.324 2.179 25177 2839 1 7 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.402 -0.158 25177 2840 1 7 . 1 1 71 71 ARG C C 71 175.759 175.759 176.793 -1.034 25177 2841 1 7 . 1 1 71 71 ARG CA C 71 56.020 56.020 57.035 -1.015 25177 2842 1 7 . 1 1 71 71 ARG CB C 71 30.629 30.629 31.319 -0.690 25177 2843 1 7 . 1 1 71 71 ARG H H 71 7.541 7.541 7.934 -0.393 25177 2844 1 7 . 1 1 72 72 HIS N N 72 120.119 120.119 118.254 1.865 25177 2845 1 7 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.594 0.070 25177 2846 1 7 . 1 1 72 72 HIS C C 72 173.738 173.738 173.678 0.060 25177 2847 1 7 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.618 -1.225 25177 2848 1 7 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.689 0.073 25177 2849 1 7 . 1 1 72 72 HIS H H 72 8.126 8.126 8.040 0.086 25177 2850 1 8 . 1 1 3 3 SER HA H 3 4.362 4.362 4.872 -0.510 25177 2851 1 8 . 1 1 3 3 SER C C 3 176.187 176.187 174.759 1.428 25177 2852 1 8 . 1 1 3 3 SER CA C 3 55.064 55.064 57.010 -1.946 25177 2853 1 8 . 1 1 3 3 SER CB C 3 61.154 61.154 63.591 -2.437 25177 2854 1 8 . 1 1 4 4 TRP N N 4 122.487 122.487 124.538 -2.051 25177 2855 1 8 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.398 0.134 25177 2856 1 8 . 1 1 4 4 TRP C C 4 177.481 177.481 176.300 1.181 25177 2857 1 8 . 1 1 4 4 TRP CA C 4 59.541 59.541 61.142 -1.601 25177 2858 1 8 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.986 -0.429 25177 2859 1 8 . 1 1 4 4 TRP H H 4 8.287 8.287 7.705 0.582 25177 2860 1 8 . 1 1 5 5 ALA N N 5 121.306 121.306 121.585 -0.279 25177 2861 1 8 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.969 -0.087 25177 2862 1 8 . 1 1 5 5 ALA C C 5 180.462 180.462 179.631 0.831 25177 2863 1 8 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.670 -0.272 25177 2864 1 8 . 1 1 5 5 ALA CB C 5 18.029 18.029 18.022 0.007 25177 2865 1 8 . 1 1 5 5 ALA H H 5 8.287 8.287 8.572 -0.285 25177 2866 1 8 . 1 1 6 6 GLU N N 6 118.841 118.841 119.312 -0.471 25177 2867 1 8 . 1 1 6 6 GLU HA H 6 4.062 4.062 3.994 0.068 25177 2868 1 8 . 1 1 6 6 GLU C C 6 179.425 179.425 178.871 0.554 25177 2869 1 8 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.801 -0.559 25177 2870 1 8 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.447 -0.230 25177 2871 1 8 . 1 1 6 6 GLU H H 6 7.805 7.805 8.360 -0.555 25177 2872 1 8 . 1 1 7 7 PHE N N 7 120.314 120.314 118.042 2.272 25177 2873 1 8 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.160 0.205 25177 2874 1 8 . 1 1 7 7 PHE C C 7 178.168 178.168 177.799 0.369 25177 2875 1 8 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.868 -0.468 25177 2876 1 8 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.728 0.446 25177 2877 1 8 . 1 1 7 7 PHE H H 7 7.950 7.950 7.774 0.176 25177 2878 1 8 . 1 1 8 8 LYS N N 8 119.370 119.370 119.595 -0.225 25177 2879 1 8 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.748 0.059 25177 2880 1 8 . 1 1 8 8 LYS C C 8 179.501 179.501 178.750 0.751 25177 2881 1 8 . 1 1 8 8 LYS CA C 8 60.102 60.102 58.641 1.462 25177 2882 1 8 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.619 0.174 25177 2883 1 8 . 1 1 8 8 LYS H H 8 8.214 8.214 8.046 0.168 25177 2884 1 8 . 1 1 9 9 GLN N N 9 120.219 120.219 119.144 1.075 25177 2885 1 8 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.960 0.115 25177 2886 1 8 . 1 1 9 9 GLN C C 9 178.818 178.818 178.543 0.275 25177 2887 1 8 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.413 -0.815 25177 2888 1 8 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.785 -0.685 25177 2889 1 8 . 1 1 9 9 GLN H H 9 7.859 7.859 8.101 -0.241 25177 2890 1 8 . 1 1 10 10 ARG N N 10 122.005 122.005 119.643 2.362 25177 2891 1 8 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.927 0.126 25177 2892 1 8 . 1 1 10 10 ARG C C 10 179.057 179.057 178.718 0.339 25177 2893 1 8 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.066 0.009 25177 2894 1 8 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.712 0.823 25177 2895 1 8 . 1 1 10 10 ARG H H 10 8.135 8.135 8.056 0.080 25177 2896 1 8 . 1 1 11 11 LEU N N 11 120.796 120.796 120.165 0.631 25177 2897 1 8 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.919 -0.278 25177 2898 1 8 . 1 1 11 11 LEU C C 11 177.921 177.921 178.056 -0.135 25177 2899 1 8 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.829 -0.603 25177 2900 1 8 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.723 -1.119 25177 2901 1 8 . 1 1 11 11 LEU H H 11 8.066 8.066 8.073 -0.007 25177 2902 1 8 . 1 1 12 12 ALA N N 12 121.596 121.596 121.514 0.082 25177 2903 1 8 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.912 0.101 25177 2904 1 8 . 1 1 12 12 ALA C C 12 180.299 180.299 179.517 0.782 25177 2905 1 8 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.069 -0.014 25177 2906 1 8 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.946 -0.515 25177 2907 1 8 . 1 1 12 12 ALA H H 12 7.670 7.670 8.118 -0.448 25177 2908 1 8 . 1 1 13 13 ALA N N 13 121.486 121.486 121.425 0.061 25177 2909 1 8 . 1 1 13 13 ALA HA H 13 4.162 4.162 4.014 0.148 25177 2910 1 8 . 1 1 13 13 ALA C C 13 180.732 180.732 179.506 1.226 25177 2911 1 8 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.895 -0.014 25177 2912 1 8 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.448 -0.632 25177 2913 1 8 . 1 1 13 13 ALA H H 13 7.601 7.601 7.900 -0.299 25177 2914 1 8 . 1 1 14 14 ILE N N 14 121.912 121.912 118.436 3.476 25177 2915 1 8 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.005 0.669 25177 2916 1 8 . 1 1 14 14 ILE C C 14 177.883 177.883 178.220 -0.337 25177 2917 1 8 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.105 0.716 25177 2918 1 8 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.214 0.864 25177 2919 1 8 . 1 1 14 14 ILE H H 14 7.843 7.843 7.979 -0.136 25177 2920 1 8 . 1 1 15 15 LYS N N 15 121.705 121.705 120.362 1.343 25177 2921 1 8 . 1 1 15 15 LYS HA H 15 3.837 3.837 4.074 -0.237 25177 2922 1 8 . 1 1 15 15 LYS C C 15 178.896 178.896 179.125 -0.229 25177 2923 1 8 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.088 0.350 25177 2924 1 8 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.369 -0.252 25177 2925 1 8 . 1 1 15 15 LYS H H 15 8.439 8.439 8.143 0.296 25177 2926 1 8 . 1 1 16 16 THR N N 16 115.218 115.218 116.677 -1.459 25177 2927 1 8 . 1 1 16 16 THR HA H 16 3.919 3.919 4.055 -0.136 25177 2928 1 8 . 1 1 16 16 THR C C 16 176.872 176.872 177.076 -0.204 25177 2929 1 8 . 1 1 16 16 THR CA C 16 66.297 66.297 66.624 -0.327 25177 2930 1 8 . 1 1 16 16 THR CB C 16 69.045 69.045 68.379 0.666 25177 2931 1 8 . 1 1 16 16 THR H H 16 7.936 7.936 8.171 -0.235 25177 2932 1 8 . 1 1 17 17 ARG N N 17 122.508 122.508 121.405 1.103 25177 2933 1 8 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.178 -0.159 25177 2934 1 8 . 1 1 17 17 ARG C C 17 178.281 178.281 178.852 -0.571 25177 2935 1 8 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.543 -0.573 25177 2936 1 8 . 1 1 17 17 ARG CB C 17 30.138 30.138 30.172 -0.034 25177 2937 1 8 . 1 1 17 17 ARG H H 17 7.781 7.781 8.335 -0.554 25177 2938 1 8 . 1 1 18 18 CYS N N 18 119.296 119.296 117.774 1.522 25177 2939 1 8 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.376 -0.902 25177 2940 1 8 . 1 1 18 18 CYS C C 18 176.151 176.151 176.271 -0.120 25177 2941 1 8 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.931 -0.576 25177 2942 1 8 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.435 -0.863 25177 2943 1 8 . 1 1 18 18 CYS H H 18 8.158 8.158 8.160 -0.002 25177 2944 1 8 . 1 1 19 19 GLN N N 19 116.825 116.825 118.639 -1.814 25177 2945 1 8 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.289 -0.249 25177 2946 1 8 . 1 1 19 19 GLN C C 19 176.178 176.178 177.804 -1.626 25177 2947 1 8 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.304 -0.925 25177 2948 1 8 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.200 -0.916 25177 2949 1 8 . 1 1 19 19 GLN H H 19 7.523 7.523 7.854 -0.331 25177 2950 1 8 . 1 1 20 20 ALA N N 20 121.265 121.265 119.935 1.330 25177 2951 1 8 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.225 0.136 25177 2952 1 8 . 1 1 20 20 ALA C C 20 177.491 177.491 177.844 -0.353 25177 2953 1 8 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.708 -0.838 25177 2954 1 8 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.514 -0.323 25177 2955 1 8 . 1 1 20 20 ALA H H 20 7.322 7.322 7.852 -0.530 25177 2956 1 8 . 1 1 21 21 LEU N N 21 120.570 120.570 116.469 4.101 25177 2957 1 8 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.897 0.133 25177 2958 1 8 . 1 1 21 21 LEU C C 21 177.889 177.889 177.000 0.889 25177 2959 1 8 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.135 0.825 25177 2960 1 8 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.174 3.314 25177 2961 1 8 . 1 1 21 21 LEU H H 21 7.200 7.200 7.821 -0.621 25177 2962 1 8 . 1 1 22 22 GLY N N 22 109.881 109.881 104.188 5.693 25177 2963 1 8 . 1 1 22 22 GLY C C 22 174.896 174.896 174.891 0.005 25177 2964 1 8 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.441 1.121 25177 2965 1 8 . 1 1 22 22 GLY H H 22 8.454 8.454 8.077 0.377 25177 2966 1 8 . 1 1 23 23 GLY N N 23 107.014 107.014 109.710 -2.696 25177 2967 1 8 . 1 1 23 23 GLY C C 23 174.347 174.347 174.144 0.203 25177 2968 1 8 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.380 0.133 25177 2969 1 8 . 1 1 23 23 GLY H H 23 7.759 7.759 8.344 -0.585 25177 2970 1 8 . 1 1 24 24 SER N N 24 116.572 116.572 112.128 4.444 25177 2971 1 8 . 1 1 24 24 SER HA H 24 4.519 4.519 4.486 0.033 25177 2972 1 8 . 1 1 24 24 SER C C 24 175.184 175.184 173.543 1.641 25177 2973 1 8 . 1 1 24 24 SER CA C 24 57.853 57.853 57.787 0.066 25177 2974 1 8 . 1 1 24 24 SER CB C 24 64.487 64.487 65.090 -0.603 25177 2975 1 8 . 1 1 24 24 SER H H 24 8.096 8.096 7.334 0.762 25177 2976 1 8 . 1 1 25 25 GLU N N 25 126.083 126.083 124.026 2.057 25177 2977 1 8 . 1 1 25 25 GLU HA H 25 3.853 3.853 3.953 -0.100 25177 2978 1 8 . 1 1 25 25 GLU C C 25 178.773 178.773 177.391 1.382 25177 2979 1 8 . 1 1 25 25 GLU CA C 25 59.974 59.974 59.149 0.825 25177 2980 1 8 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.701 -0.519 25177 2981 1 8 . 1 1 25 25 GLU H H 25 9.042 9.042 8.761 0.281 25177 2982 1 8 . 1 1 26 26 ALA N N 26 121.614 121.614 122.044 -0.430 25177 2983 1 8 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.283 -0.136 25177 2984 1 8 . 1 1 26 26 ALA C C 26 180.987 180.987 179.663 1.324 25177 2985 1 8 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.984 1.007 25177 2986 1 8 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.160 -0.061 25177 2987 1 8 . 1 1 26 26 ALA H H 26 8.514 8.514 8.013 0.501 25177 2988 1 8 . 1 1 27 27 GLU N N 27 119.564 119.564 120.116 -0.552 25177 2989 1 8 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.948 0.163 25177 2990 1 8 . 1 1 27 27 GLU C C 27 179.198 179.198 178.633 0.565 25177 2991 1 8 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.125 -0.299 25177 2992 1 8 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.999 0.959 25177 2993 1 8 . 1 1 27 27 GLU H H 27 7.757 7.757 8.531 -0.774 25177 2994 1 8 . 1 1 28 28 CYS N N 28 120.060 120.060 117.386 2.674 25177 2995 1 8 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.909 0.222 25177 2996 1 8 . 1 1 28 28 CYS C C 28 176.521 176.521 176.886 -0.365 25177 2997 1 8 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.806 -0.095 25177 2998 1 8 . 1 1 28 28 CYS CB C 28 26.601 26.601 26.864 -0.263 25177 2999 1 8 . 1 1 28 28 CYS H H 28 8.145 8.145 7.740 0.405 25177 3000 1 8 . 1 1 29 29 ALA N N 29 122.930 122.930 122.382 0.548 25177 3001 1 8 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.977 0.233 25177 3002 1 8 . 1 1 29 29 ALA C C 29 179.659 179.659 179.033 0.626 25177 3003 1 8 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.291 -0.397 25177 3004 1 8 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.991 -0.290 25177 3005 1 8 . 1 1 29 29 ALA H H 29 8.342 8.342 7.872 0.470 25177 3006 1 8 . 1 1 30 30 ALA N N 30 121.235 121.235 121.168 0.067 25177 3007 1 8 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.074 0.151 25177 3008 1 8 . 1 1 30 30 ALA C C 30 180.452 180.452 179.799 0.653 25177 3009 1 8 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.897 0.063 25177 3010 1 8 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.236 -0.487 25177 3011 1 8 . 1 1 30 30 ALA H H 30 7.676 7.676 7.689 -0.013 25177 3012 1 8 . 1 1 31 31 PHE N N 31 121.297 121.297 118.463 2.834 25177 3013 1 8 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.097 0.244 25177 3014 1 8 . 1 1 31 31 PHE C C 31 177.355 177.355 177.525 -0.170 25177 3015 1 8 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.092 0.927 25177 3016 1 8 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.540 0.774 25177 3017 1 8 . 1 1 31 31 PHE H H 31 8.086 8.086 8.151 -0.065 25177 3018 1 8 . 1 1 32 32 GLU N N 32 119.861 119.861 119.996 -0.135 25177 3019 1 8 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.848 -0.064 25177 3020 1 8 . 1 1 32 32 GLU C C 32 178.906 178.906 178.817 0.089 25177 3021 1 8 . 1 1 32 32 GLU CA C 32 59.944 59.944 59.949 -0.005 25177 3022 1 8 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.586 -0.643 25177 3023 1 8 . 1 1 32 32 GLU H H 32 8.417 8.417 8.297 0.120 25177 3024 1 8 . 1 1 33 33 LYS N N 33 118.133 118.133 119.287 -1.154 25177 3025 1 8 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.983 0.061 25177 3026 1 8 . 1 1 33 33 LYS C C 33 179.471 179.471 179.081 0.390 25177 3027 1 8 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.415 -0.018 25177 3028 1 8 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.137 0.094 25177 3029 1 8 . 1 1 33 33 LYS H H 33 7.491 7.491 7.854 -0.363 25177 3030 1 8 . 1 1 34 34 GLU N N 34 121.763 121.763 119.786 1.977 25177 3031 1 8 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.961 0.156 25177 3032 1 8 . 1 1 34 34 GLU C C 34 179.955 179.955 179.089 0.866 25177 3033 1 8 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.316 0.201 25177 3034 1 8 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.314 0.149 25177 3035 1 8 . 1 1 34 34 GLU H H 34 7.699 7.699 7.847 -0.148 25177 3036 1 8 . 1 1 35 35 ILE N N 35 121.167 121.167 119.206 1.961 25177 3037 1 8 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.594 0.189 25177 3038 1 8 . 1 1 35 35 ILE C C 35 177.219 177.219 178.117 -0.898 25177 3039 1 8 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.938 0.023 25177 3040 1 8 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.586 1.070 25177 3041 1 8 . 1 1 35 35 ILE H H 35 8.120 8.120 8.018 0.102 25177 3042 1 8 . 1 1 36 36 ALA N N 36 124.132 124.132 122.276 1.856 25177 3043 1 8 . 1 1 36 36 ALA HA H 36 4.346 4.346 3.940 0.406 25177 3044 1 8 . 1 1 36 36 ALA C C 36 180.915 180.915 179.610 1.305 25177 3045 1 8 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.434 -0.430 25177 3046 1 8 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.016 -0.256 25177 3047 1 8 . 1 1 36 36 ALA H H 36 8.161 8.161 8.059 0.102 25177 3048 1 8 . 1 1 37 37 ALA N N 37 121.980 121.980 121.112 0.868 25177 3049 1 8 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.142 0.048 25177 3050 1 8 . 1 1 37 37 ALA C C 37 180.126 180.126 179.772 0.354 25177 3051 1 8 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.883 0.157 25177 3052 1 8 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.373 -0.773 25177 3053 1 8 . 1 1 37 37 ALA H H 37 7.887 7.887 7.992 -0.105 25177 3054 1 8 . 1 1 38 38 PHE N N 38 121.517 121.517 119.266 2.251 25177 3055 1 8 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.277 -0.084 25177 3056 1 8 . 1 1 38 38 PHE C C 38 177.044 177.044 177.855 -0.811 25177 3057 1 8 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.734 0.750 25177 3058 1 8 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.831 0.246 25177 3059 1 8 . 1 1 38 38 PHE H H 38 7.751 7.751 8.236 -0.485 25177 3060 1 8 . 1 1 39 39 GLU N N 39 118.815 118.815 118.172 0.643 25177 3061 1 8 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.901 -0.263 25177 3062 1 8 . 1 1 39 39 GLU C C 39 179.591 179.591 178.821 0.770 25177 3063 1 8 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.651 0.770 25177 3064 1 8 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.061 0.801 25177 3065 1 8 . 1 1 39 39 GLU H H 39 8.746 8.746 8.564 0.182 25177 3066 1 8 . 1 1 40 40 SER N N 40 115.384 115.384 115.647 -0.263 25177 3067 1 8 . 1 1 40 40 SER HA H 40 4.176 4.176 4.191 -0.015 25177 3068 1 8 . 1 1 40 40 SER C C 40 177.354 177.354 176.687 0.667 25177 3069 1 8 . 1 1 40 40 SER CA C 40 61.771 61.771 60.979 0.792 25177 3070 1 8 . 1 1 40 40 SER CB C 40 62.786 62.786 62.962 -0.175 25177 3071 1 8 . 1 1 40 40 SER H H 40 8.171 8.171 8.131 0.040 25177 3072 1 8 . 1 1 41 41 GLU N N 41 123.650 123.650 120.325 3.325 25177 3073 1 8 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.082 -0.009 25177 3074 1 8 . 1 1 41 41 GLU C C 41 179.360 179.360 178.422 0.938 25177 3075 1 8 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.620 0.890 25177 3076 1 8 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.074 -0.553 25177 3077 1 8 . 1 1 41 41 GLU H H 41 7.819 7.819 7.891 -0.072 25177 3078 1 8 . 1 1 42 42 LEU N N 42 119.352 119.352 118.399 0.953 25177 3079 1 8 . 1 1 42 42 LEU HA H 42 3.767 3.767 3.941 -0.174 25177 3080 1 8 . 1 1 42 42 LEU C C 42 179.152 179.152 179.376 -0.224 25177 3081 1 8 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.267 -0.304 25177 3082 1 8 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.281 -0.789 25177 3083 1 8 . 1 1 42 42 LEU H H 42 7.816 7.816 7.919 -0.103 25177 3084 1 8 . 1 1 43 43 GLN N N 43 118.423 118.423 119.571 -1.148 25177 3085 1 8 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.116 -0.158 25177 3086 1 8 . 1 1 43 43 GLN C C 43 177.081 177.081 177.685 -0.604 25177 3087 1 8 . 1 1 43 43 GLN CA C 43 58.165 58.165 58.383 -0.218 25177 3088 1 8 . 1 1 43 43 GLN CB C 43 28.207 28.207 27.869 0.338 25177 3089 1 8 . 1 1 43 43 GLN H H 43 7.785 7.785 8.189 -0.404 25177 3090 1 8 . 1 1 44 44 ALA N N 44 120.300 120.300 121.578 -1.278 25177 3091 1 8 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.157 0.004 25177 3092 1 8 . 1 1 44 44 ALA C C 44 177.823 177.823 178.536 -0.713 25177 3093 1 8 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.679 -0.523 25177 3094 1 8 . 1 1 44 44 ALA CB C 44 18.425 18.425 17.776 0.648 25177 3095 1 8 . 1 1 44 44 ALA H H 44 7.380 7.380 7.288 0.092 25177 3096 1 8 . 1 1 45 45 TYR N N 45 118.887 118.887 117.025 1.862 25177 3097 1 8 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.181 0.192 25177 3098 1 8 . 1 1 45 45 TYR C C 45 176.018 176.018 176.409 -0.391 25177 3099 1 8 . 1 1 45 45 TYR CA C 45 58.749 58.749 59.152 -0.403 25177 3100 1 8 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.142 0.656 25177 3101 1 8 . 1 1 45 45 TYR H H 45 7.438 7.438 7.268 0.170 25177 3102 1 8 . 1 1 46 46 LYS N N 46 124.177 124.177 116.510 7.667 25177 3103 1 8 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.039 0.147 25177 3104 1 8 . 1 1 46 46 LYS C C 46 176.900 176.900 176.507 0.393 25177 3105 1 8 . 1 1 46 46 LYS CA C 46 56.718 56.718 57.308 -0.590 25177 3106 1 8 . 1 1 46 46 LYS CB C 46 32.774 32.774 30.884 1.890 25177 3107 1 8 . 1 1 46 46 LYS H H 46 7.884 7.884 7.651 0.233 25177 3108 1 8 . 1 1 47 47 GLY N N 47 109.590 109.590 105.884 3.706 25177 3109 1 8 . 1 1 47 47 GLY C C 47 174.029 174.029 175.112 -1.083 25177 3110 1 8 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.206 1.391 25177 3111 1 8 . 1 1 47 47 GLY H H 47 7.662 7.662 8.674 -1.012 25177 3112 1 8 . 1 1 48 48 LYS N N 48 120.521 120.521 121.502 -0.981 25177 3113 1 8 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.070 -0.149 25177 3114 1 8 . 1 1 48 48 LYS C C 48 177.262 177.262 177.736 -0.474 25177 3115 1 8 . 1 1 48 48 LYS CA C 48 56.345 56.345 57.744 -1.399 25177 3116 1 8 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.084 0.794 25177 3117 1 8 . 1 1 48 48 LYS H H 48 8.049 8.049 8.217 -0.168 25177 3118 1 8 . 1 1 49 49 GLY N N 49 110.678 110.678 106.614 4.064 25177 3119 1 8 . 1 1 49 49 GLY C C 49 173.842 173.842 175.103 -1.261 25177 3120 1 8 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.756 -0.171 25177 3121 1 8 . 1 1 49 49 GLY H H 49 8.604 8.604 8.549 0.055 25177 3122 1 8 . 1 1 50 50 ASN N N 50 120.298 120.298 118.622 1.676 25177 3123 1 8 . 1 1 50 50 ASN HA H 50 4.956 4.956 5.114 -0.158 25177 3124 1 8 . 1 1 50 50 ASN C C 50 177.904 177.904 173.801 4.103 25177 3125 1 8 . 1 1 50 50 ASN CA C 50 51.649 51.649 50.530 1.119 25177 3126 1 8 . 1 1 50 50 ASN CB C 50 38.943 38.943 40.011 -1.067 25177 3127 1 8 . 1 1 50 50 ASN H H 50 8.045 8.045 7.764 0.281 25177 3128 1 8 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.575 -0.303 25177 3129 1 8 . 1 1 51 51 PRO C C 51 178.931 178.931 177.971 0.960 25177 3130 1 8 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.638 0.471 25177 3131 1 8 . 1 1 51 51 PRO CB C 51 31.834 31.834 31.997 -0.163 25177 3132 1 8 . 1 1 52 52 GLU N N 52 119.291 119.291 119.491 -0.200 25177 3133 1 8 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.887 0.172 25177 3134 1 8 . 1 1 52 52 GLU C C 52 178.805 178.805 178.527 0.278 25177 3135 1 8 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.364 -0.191 25177 3136 1 8 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.090 0.595 25177 3137 1 8 . 1 1 52 52 GLU H H 52 8.344 8.344 8.756 -0.412 25177 3138 1 8 . 1 1 53 53 VAL N N 53 120.013 120.013 119.733 0.280 25177 3139 1 8 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.900 -0.398 25177 3140 1 8 . 1 1 53 53 VAL C C 53 177.587 177.587 177.701 -0.114 25177 3141 1 8 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.010 0.937 25177 3142 1 8 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.896 -0.421 25177 3143 1 8 . 1 1 53 53 VAL H H 53 7.304 7.304 7.473 -0.169 25177 3144 1 8 . 1 1 54 54 GLU N N 54 119.848 119.848 121.382 -1.534 25177 3145 1 8 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.058 -0.010 25177 3146 1 8 . 1 1 54 54 GLU C C 54 178.910 178.910 178.557 0.353 25177 3147 1 8 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.727 -0.870 25177 3148 1 8 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.340 -0.641 25177 3149 1 8 . 1 1 54 54 GLU H H 54 7.820 7.820 7.675 0.145 25177 3150 1 8 . 1 1 55 55 ALA N N 55 121.463 121.463 123.112 -1.649 25177 3151 1 8 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.230 -0.085 25177 3152 1 8 . 1 1 55 55 ALA C C 55 180.920 180.920 179.690 1.230 25177 3153 1 8 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.161 0.098 25177 3154 1 8 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.569 -0.769 25177 3155 1 8 . 1 1 55 55 ALA H H 55 7.701 7.701 8.567 -0.866 25177 3156 1 8 . 1 1 56 56 LEU N N 56 120.343 120.343 119.644 0.699 25177 3157 1 8 . 1 1 56 56 LEU HA H 56 4.145 4.145 4.066 0.079 25177 3158 1 8 . 1 1 56 56 LEU C C 56 178.721 178.721 179.119 -0.398 25177 3159 1 8 . 1 1 56 56 LEU CA C 56 57.899 57.899 57.791 0.108 25177 3160 1 8 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.601 0.597 25177 3161 1 8 . 1 1 56 56 LEU H H 56 7.656 7.656 7.857 -0.201 25177 3162 1 8 . 1 1 57 57 ARG N N 57 119.950 119.950 119.226 0.724 25177 3163 1 8 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.982 -0.161 25177 3164 1 8 . 1 1 57 57 ARG C C 57 179.667 179.667 178.263 1.404 25177 3165 1 8 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.160 1.027 25177 3166 1 8 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.845 -0.659 25177 3167 1 8 . 1 1 57 57 ARG H H 57 8.350 8.350 8.470 -0.120 25177 3168 1 8 . 1 1 58 58 LYS N N 58 120.501 120.501 120.024 0.477 25177 3169 1 8 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.061 -0.031 25177 3170 1 8 . 1 1 58 58 LYS C C 58 179.448 179.448 179.148 0.300 25177 3171 1 8 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.480 0.098 25177 3172 1 8 . 1 1 58 58 LYS CB C 58 32.369 32.369 31.973 0.396 25177 3173 1 8 . 1 1 58 58 LYS H H 58 7.989 7.989 7.981 0.008 25177 3174 1 8 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.958 0.186 25177 3175 1 8 . 1 1 59 59 GLU C C 59 178.877 178.877 179.025 -0.148 25177 3176 1 8 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.629 -0.210 25177 3177 1 8 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.335 -0.102 25177 3178 1 8 . 1 1 59 59 GLU H H 59 7.891 7.891 8.132 -0.241 25177 3179 1 8 . 1 1 60 60 ALA N N 60 122.069 122.069 121.882 0.187 25177 3180 1 8 . 1 1 60 60 ALA HA H 60 3.936 3.936 4.009 -0.073 25177 3181 1 8 . 1 1 60 60 ALA C C 60 178.379 178.379 179.694 -1.315 25177 3182 1 8 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.161 -0.267 25177 3183 1 8 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.152 -0.624 25177 3184 1 8 . 1 1 60 60 ALA H H 60 8.480 8.480 8.149 0.331 25177 3185 1 8 . 1 1 61 61 ALA N N 61 121.446 121.446 121.417 0.029 25177 3186 1 8 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.976 0.169 25177 3187 1 8 . 1 1 61 61 ALA C C 61 178.579 178.579 179.371 -0.792 25177 3188 1 8 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.957 0.483 25177 3189 1 8 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.476 -0.310 25177 3190 1 8 . 1 1 61 61 ALA H H 61 7.702 7.702 8.039 -0.337 25177 3191 1 8 . 1 1 62 62 ALA N N 62 119.705 119.705 121.742 -2.037 25177 3192 1 8 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.003 0.029 25177 3193 1 8 . 1 1 62 62 ALA C C 62 180.829 180.829 179.632 1.197 25177 3194 1 8 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.848 -0.053 25177 3195 1 8 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.479 -0.806 25177 3196 1 8 . 1 1 62 62 ALA H H 62 7.818 7.818 7.777 0.041 25177 3197 1 8 . 1 1 63 63 ILE N N 63 121.021 121.021 119.724 1.297 25177 3198 1 8 . 1 1 63 63 ILE HA H 63 3.851 3.851 4.074 -0.223 25177 3199 1 8 . 1 1 63 63 ILE C C 63 178.076 178.076 177.954 0.122 25177 3200 1 8 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.428 -0.740 25177 3201 1 8 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.583 0.373 25177 3202 1 8 . 1 1 63 63 ILE H H 63 7.876 7.876 8.112 -0.236 25177 3203 1 8 . 1 1 64 64 ARG N N 64 121.460 121.460 120.466 0.994 25177 3204 1 8 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.804 0.087 25177 3205 1 8 . 1 1 64 64 ARG C C 64 178.617 178.617 178.032 0.585 25177 3206 1 8 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.218 0.109 25177 3207 1 8 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.919 -0.597 25177 3208 1 8 . 1 1 64 64 ARG H H 64 8.023 8.023 8.139 -0.116 25177 3209 1 8 . 1 1 65 65 ASP N N 65 119.343 119.343 119.277 0.066 25177 3210 1 8 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.321 0.064 25177 3211 1 8 . 1 1 65 65 ASP C C 65 178.827 178.827 178.739 0.088 25177 3212 1 8 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.262 0.051 25177 3213 1 8 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.177 0.186 25177 3214 1 8 . 1 1 65 65 ASP H H 65 8.046 8.046 8.143 -0.097 25177 3215 1 8 . 1 1 66 66 GLU N N 66 121.291 121.291 119.979 1.312 25177 3216 1 8 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.643 0.395 25177 3217 1 8 . 1 1 66 66 GLU C C 66 178.410 178.410 178.648 -0.238 25177 3218 1 8 . 1 1 66 66 GLU CA C 66 58.893 58.893 58.916 -0.023 25177 3219 1 8 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.454 0.022 25177 3220 1 8 . 1 1 66 66 GLU H H 66 7.931 7.931 8.006 -0.075 25177 3221 1 8 . 1 1 67 67 CYS N N 67 117.825 117.825 117.275 0.550 25177 3222 1 8 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.134 0.065 25177 3223 1 8 . 1 1 67 67 CYS C C 67 176.095 176.095 177.093 -0.998 25177 3224 1 8 . 1 1 67 67 CYS CA C 67 61.485 61.485 63.788 -2.303 25177 3225 1 8 . 1 1 67 67 CYS CB C 67 27.011 27.011 26.706 0.305 25177 3226 1 8 . 1 1 67 67 CYS H H 67 8.009 8.009 8.058 -0.049 25177 3227 1 8 . 1 1 68 68 GLN N N 68 118.847 118.847 117.996 0.851 25177 3228 1 8 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.132 -0.015 25177 3229 1 8 . 1 1 68 68 GLN C C 68 177.110 177.110 177.506 -0.396 25177 3230 1 8 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.607 -1.153 25177 3231 1 8 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.362 -0.014 25177 3232 1 8 . 1 1 68 68 GLN H H 68 7.906 7.906 7.916 -0.010 25177 3233 1 8 . 1 1 69 69 ALA N N 69 122.260 122.260 119.057 3.203 25177 3234 1 8 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.184 -0.081 25177 3235 1 8 . 1 1 69 69 ALA C C 69 178.367 178.367 178.110 0.257 25177 3236 1 8 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.433 0.249 25177 3237 1 8 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.426 -0.230 25177 3238 1 8 . 1 1 69 69 ALA H H 69 7.648 7.648 7.498 0.150 25177 3239 1 8 . 1 1 70 70 TYR N N 70 117.039 117.039 117.263 -0.224 25177 3240 1 8 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.540 -0.130 25177 3241 1 8 . 1 1 70 70 TYR C C 70 176.061 176.061 177.065 -1.004 25177 3242 1 8 . 1 1 70 70 TYR CA C 70 58.456 58.456 59.052 -0.596 25177 3243 1 8 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.628 -1.417 25177 3244 1 8 . 1 1 70 70 TYR H H 70 7.541 7.541 7.359 0.182 25177 3245 1 8 . 1 1 71 71 ARG N N 71 120.503 120.503 117.282 3.221 25177 3246 1 8 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.649 -0.405 25177 3247 1 8 . 1 1 71 71 ARG C C 71 175.759 175.759 176.003 -0.244 25177 3248 1 8 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.038 -0.018 25177 3249 1 8 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.875 -0.246 25177 3250 1 8 . 1 1 71 71 ARG H H 71 7.541 7.541 7.890 -0.349 25177 3251 1 8 . 1 1 72 72 HIS N N 72 120.119 120.119 116.983 3.136 25177 3252 1 8 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.591 0.073 25177 3253 1 8 . 1 1 72 72 HIS C C 72 173.738 173.738 173.317 0.421 25177 3254 1 8 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.425 -1.032 25177 3255 1 8 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.813 -0.052 25177 3256 1 8 . 1 1 72 72 HIS H H 72 8.126 8.126 8.399 -0.273 25177 3257 1 9 . 1 1 3 3 SER HA H 3 4.362 4.362 4.257 0.105 25177 3258 1 9 . 1 1 3 3 SER C C 3 176.187 176.187 176.318 -0.131 25177 3259 1 9 . 1 1 3 3 SER CA C 3 55.064 55.064 60.781 -5.717 25177 3260 1 9 . 1 1 3 3 SER CB C 3 61.154 61.154 63.389 -2.235 25177 3261 1 9 . 1 1 4 4 TRP N N 4 122.487 122.487 123.924 -1.437 25177 3262 1 9 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.443 0.089 25177 3263 1 9 . 1 1 4 4 TRP C C 4 177.481 177.481 176.965 0.516 25177 3264 1 9 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.129 -0.588 25177 3265 1 9 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.327 0.230 25177 3266 1 9 . 1 1 4 4 TRP H H 4 8.287 8.287 7.833 0.454 25177 3267 1 9 . 1 1 5 5 ALA N N 5 121.306 121.306 121.221 0.085 25177 3268 1 9 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.921 -0.039 25177 3269 1 9 . 1 1 5 5 ALA C C 5 180.462 180.462 179.366 1.096 25177 3270 1 9 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.883 -0.485 25177 3271 1 9 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.681 0.348 25177 3272 1 9 . 1 1 5 5 ALA H H 5 8.287 8.287 7.833 0.454 25177 3273 1 9 . 1 1 6 6 GLU N N 6 118.841 118.841 119.326 -0.485 25177 3274 1 9 . 1 1 6 6 GLU HA H 6 4.062 4.062 3.955 0.107 25177 3275 1 9 . 1 1 6 6 GLU C C 6 179.425 179.425 179.086 0.339 25177 3276 1 9 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.309 -0.067 25177 3277 1 9 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.452 -0.235 25177 3278 1 9 . 1 1 6 6 GLU H H 6 7.805 7.805 7.990 -0.185 25177 3279 1 9 . 1 1 7 7 PHE N N 7 120.314 120.314 118.300 2.014 25177 3280 1 9 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.093 0.272 25177 3281 1 9 . 1 1 7 7 PHE C C 7 178.168 178.168 177.662 0.506 25177 3282 1 9 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.667 -0.267 25177 3283 1 9 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.732 0.442 25177 3284 1 9 . 1 1 7 7 PHE H H 7 7.950 7.950 7.803 0.147 25177 3285 1 9 . 1 1 8 8 LYS N N 8 119.370 119.370 119.510 -0.140 25177 3286 1 9 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.530 0.277 25177 3287 1 9 . 1 1 8 8 LYS C C 8 179.501 179.501 178.604 0.897 25177 3288 1 9 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.526 0.577 25177 3289 1 9 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.945 -0.152 25177 3290 1 9 . 1 1 8 8 LYS H H 8 8.214 8.214 8.196 0.018 25177 3291 1 9 . 1 1 9 9 GLN N N 9 120.219 120.219 118.989 1.230 25177 3292 1 9 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.922 0.153 25177 3293 1 9 . 1 1 9 9 GLN C C 9 178.818 178.818 178.604 0.214 25177 3294 1 9 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.621 -1.023 25177 3295 1 9 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.606 -0.506 25177 3296 1 9 . 1 1 9 9 GLN H H 9 7.859 7.859 8.044 -0.185 25177 3297 1 9 . 1 1 10 10 ARG N N 10 122.005 122.005 119.909 2.096 25177 3298 1 9 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.942 0.111 25177 3299 1 9 . 1 1 10 10 ARG C C 10 179.057 179.057 178.939 0.118 25177 3300 1 9 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.121 -0.046 25177 3301 1 9 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.660 0.875 25177 3302 1 9 . 1 1 10 10 ARG H H 10 8.135 8.135 7.878 0.257 25177 3303 1 9 . 1 1 11 11 LEU N N 11 120.796 120.796 119.326 1.470 25177 3304 1 9 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.692 -0.051 25177 3305 1 9 . 1 1 11 11 LEU C C 11 177.921 177.921 178.607 -0.686 25177 3306 1 9 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.645 -0.419 25177 3307 1 9 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.004 -0.400 25177 3308 1 9 . 1 1 11 11 LEU H H 11 8.066 8.066 7.814 0.252 25177 3309 1 9 . 1 1 12 12 ALA N N 12 121.596 121.596 121.797 -0.201 25177 3310 1 9 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.892 0.121 25177 3311 1 9 . 1 1 12 12 ALA C C 12 180.299 180.299 179.502 0.797 25177 3312 1 9 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.207 -0.152 25177 3313 1 9 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.821 -0.390 25177 3314 1 9 . 1 1 12 12 ALA H H 12 7.670 7.670 8.050 -0.380 25177 3315 1 9 . 1 1 13 13 ALA N N 13 121.486 121.486 121.413 0.073 25177 3316 1 9 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.999 0.163 25177 3317 1 9 . 1 1 13 13 ALA C C 13 180.732 180.732 179.522 1.210 25177 3318 1 9 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.979 -0.098 25177 3319 1 9 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.437 -0.621 25177 3320 1 9 . 1 1 13 13 ALA H H 13 7.601 7.601 7.837 -0.236 25177 3321 1 9 . 1 1 14 14 ILE N N 14 121.912 121.912 118.198 3.714 25177 3322 1 9 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.121 0.553 25177 3323 1 9 . 1 1 14 14 ILE C C 14 177.883 177.883 178.258 -0.375 25177 3324 1 9 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.317 0.504 25177 3325 1 9 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.322 0.756 25177 3326 1 9 . 1 1 14 14 ILE H H 14 7.843 7.843 7.980 -0.137 25177 3327 1 9 . 1 1 15 15 LYS N N 15 121.705 121.705 120.541 1.164 25177 3328 1 9 . 1 1 15 15 LYS HA H 15 3.837 3.837 4.031 -0.194 25177 3329 1 9 . 1 1 15 15 LYS C C 15 178.896 178.896 179.099 -0.203 25177 3330 1 9 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.313 0.125 25177 3331 1 9 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.475 -0.358 25177 3332 1 9 . 1 1 15 15 LYS H H 15 8.439 8.439 8.158 0.281 25177 3333 1 9 . 1 1 16 16 THR N N 16 115.218 115.218 117.087 -1.869 25177 3334 1 9 . 1 1 16 16 THR HA H 16 3.919 3.919 3.986 -0.067 25177 3335 1 9 . 1 1 16 16 THR C C 16 176.872 176.872 177.047 -0.175 25177 3336 1 9 . 1 1 16 16 THR CA C 16 66.297 66.297 67.036 -0.739 25177 3337 1 9 . 1 1 16 16 THR CB C 16 69.045 69.045 68.763 0.282 25177 3338 1 9 . 1 1 16 16 THR H H 16 7.936 7.936 8.195 -0.259 25177 3339 1 9 . 1 1 17 17 ARG N N 17 122.508 122.508 121.409 1.099 25177 3340 1 9 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.192 -0.173 25177 3341 1 9 . 1 1 17 17 ARG C C 17 178.281 178.281 178.762 -0.481 25177 3342 1 9 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.035 -0.065 25177 3343 1 9 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.966 0.172 25177 3344 1 9 . 1 1 17 17 ARG H H 17 7.781 7.781 8.358 -0.577 25177 3345 1 9 . 1 1 18 18 CYS N N 18 119.296 119.296 118.163 1.133 25177 3346 1 9 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.319 -0.845 25177 3347 1 9 . 1 1 18 18 CYS C C 18 176.151 176.151 176.311 -0.160 25177 3348 1 9 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.472 -0.117 25177 3349 1 9 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.642 -1.070 25177 3350 1 9 . 1 1 18 18 CYS H H 18 8.158 8.158 8.165 -0.007 25177 3351 1 9 . 1 1 19 19 GLN N N 19 116.825 116.825 118.074 -1.249 25177 3352 1 9 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.235 -0.195 25177 3353 1 9 . 1 1 19 19 GLN C C 19 176.178 176.178 177.741 -1.563 25177 3354 1 9 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.427 -1.048 25177 3355 1 9 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.161 -0.877 25177 3356 1 9 . 1 1 19 19 GLN H H 19 7.523 7.523 7.914 -0.391 25177 3357 1 9 . 1 1 20 20 ALA N N 20 121.265 121.265 119.782 1.483 25177 3358 1 9 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.270 0.091 25177 3359 1 9 . 1 1 20 20 ALA C C 20 177.491 177.491 177.928 -0.437 25177 3360 1 9 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.785 -0.915 25177 3361 1 9 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.788 -0.597 25177 3362 1 9 . 1 1 20 20 ALA H H 20 7.322 7.322 7.900 -0.578 25177 3363 1 9 . 1 1 21 21 LEU N N 21 120.570 120.570 116.629 3.941 25177 3364 1 9 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.939 0.091 25177 3365 1 9 . 1 1 21 21 LEU C C 21 177.889 177.889 177.098 0.791 25177 3366 1 9 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.429 0.531 25177 3367 1 9 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.508 2.980 25177 3368 1 9 . 1 1 21 21 LEU H H 21 7.200 7.200 7.887 -0.687 25177 3369 1 9 . 1 1 22 22 GLY N N 22 109.881 109.881 104.451 5.430 25177 3370 1 9 . 1 1 22 22 GLY C C 22 174.896 174.896 174.708 0.188 25177 3371 1 9 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.887 0.675 25177 3372 1 9 . 1 1 22 22 GLY H H 22 8.454 8.454 8.057 0.397 25177 3373 1 9 . 1 1 23 23 GLY N N 23 107.014 107.014 109.624 -2.610 25177 3374 1 9 . 1 1 23 23 GLY C C 23 174.347 174.347 174.305 0.042 25177 3375 1 9 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.245 0.269 25177 3376 1 9 . 1 1 23 23 GLY H H 23 7.759 7.759 8.340 -0.581 25177 3377 1 9 . 1 1 24 24 SER N N 24 116.572 116.572 113.059 3.513 25177 3378 1 9 . 1 1 24 24 SER HA H 24 4.519 4.519 4.505 0.014 25177 3379 1 9 . 1 1 24 24 SER C C 24 175.184 175.184 173.698 1.486 25177 3380 1 9 . 1 1 24 24 SER CA C 24 57.853 57.853 57.610 0.243 25177 3381 1 9 . 1 1 24 24 SER CB C 24 64.487 64.487 65.105 -0.618 25177 3382 1 9 . 1 1 24 24 SER H H 24 8.096 8.096 7.389 0.707 25177 3383 1 9 . 1 1 25 25 GLU N N 25 126.083 126.083 123.956 2.127 25177 3384 1 9 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.017 -0.164 25177 3385 1 9 . 1 1 25 25 GLU C C 25 178.773 178.773 176.889 1.884 25177 3386 1 9 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.925 1.049 25177 3387 1 9 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.691 -0.509 25177 3388 1 9 . 1 1 25 25 GLU H H 25 9.042 9.042 8.738 0.304 25177 3389 1 9 . 1 1 26 26 ALA N N 26 121.614 121.614 121.799 -0.185 25177 3390 1 9 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.323 -0.176 25177 3391 1 9 . 1 1 26 26 ALA C C 26 180.987 180.987 179.632 1.355 25177 3392 1 9 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.825 1.166 25177 3393 1 9 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.319 -0.220 25177 3394 1 9 . 1 1 26 26 ALA H H 26 8.514 8.514 7.929 0.585 25177 3395 1 9 . 1 1 27 27 GLU N N 27 119.564 119.564 120.104 -0.540 25177 3396 1 9 . 1 1 27 27 GLU HA H 27 4.111 4.111 4.032 0.079 25177 3397 1 9 . 1 1 27 27 GLU C C 27 179.198 179.198 178.687 0.511 25177 3398 1 9 . 1 1 27 27 GLU CA C 27 58.826 58.826 58.978 -0.152 25177 3399 1 9 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.733 1.225 25177 3400 1 9 . 1 1 27 27 GLU H H 27 7.757 7.757 8.528 -0.771 25177 3401 1 9 . 1 1 28 28 CYS N N 28 120.060 120.060 117.257 2.803 25177 3402 1 9 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.968 0.163 25177 3403 1 9 . 1 1 28 28 CYS C C 28 176.521 176.521 176.920 -0.399 25177 3404 1 9 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.794 -0.083 25177 3405 1 9 . 1 1 28 28 CYS CB C 28 26.601 26.601 26.368 0.233 25177 3406 1 9 . 1 1 28 28 CYS H H 28 8.145 8.145 7.747 0.398 25177 3407 1 9 . 1 1 29 29 ALA N N 29 122.930 122.930 122.809 0.121 25177 3408 1 9 . 1 1 29 29 ALA HA H 29 4.210 4.210 4.459 -0.249 25177 3409 1 9 . 1 1 29 29 ALA C C 29 179.659 179.659 179.192 0.467 25177 3410 1 9 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.120 -0.226 25177 3411 1 9 . 1 1 29 29 ALA CB C 29 17.701 17.701 18.141 -0.440 25177 3412 1 9 . 1 1 29 29 ALA H H 29 8.342 8.342 7.869 0.473 25177 3413 1 9 . 1 1 30 30 ALA N N 30 121.235 121.235 121.180 0.055 25177 3414 1 9 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.105 0.120 25177 3415 1 9 . 1 1 30 30 ALA C C 30 180.452 180.452 179.864 0.588 25177 3416 1 9 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.934 0.026 25177 3417 1 9 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.265 -0.516 25177 3418 1 9 . 1 1 30 30 ALA H H 30 7.676 7.676 7.730 -0.054 25177 3419 1 9 . 1 1 31 31 PHE N N 31 121.297 121.297 118.915 2.382 25177 3420 1 9 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.238 0.103 25177 3421 1 9 . 1 1 31 31 PHE C C 31 177.355 177.355 178.108 -0.753 25177 3422 1 9 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.323 0.696 25177 3423 1 9 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.571 0.743 25177 3424 1 9 . 1 1 31 31 PHE H H 31 8.086 8.086 8.198 -0.112 25177 3425 1 9 . 1 1 32 32 GLU N N 32 119.861 119.861 119.739 0.122 25177 3426 1 9 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.957 -0.173 25177 3427 1 9 . 1 1 32 32 GLU C C 32 178.906 178.906 179.150 -0.244 25177 3428 1 9 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.360 -0.416 25177 3429 1 9 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.264 -0.321 25177 3430 1 9 . 1 1 32 32 GLU H H 32 8.417 8.417 8.369 0.048 25177 3431 1 9 . 1 1 33 33 LYS N N 33 118.133 118.133 119.644 -1.511 25177 3432 1 9 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.968 0.076 25177 3433 1 9 . 1 1 33 33 LYS C C 33 179.471 179.471 178.957 0.514 25177 3434 1 9 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.980 -0.583 25177 3435 1 9 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.382 -0.151 25177 3436 1 9 . 1 1 33 33 LYS H H 33 7.491 7.491 7.952 -0.461 25177 3437 1 9 . 1 1 34 34 GLU N N 34 121.763 121.763 119.829 1.934 25177 3438 1 9 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.986 0.131 25177 3439 1 9 . 1 1 34 34 GLU C C 34 179.955 179.955 179.270 0.685 25177 3440 1 9 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.642 -0.126 25177 3441 1 9 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.710 -0.248 25177 3442 1 9 . 1 1 34 34 GLU H H 34 7.699 7.699 7.959 -0.260 25177 3443 1 9 . 1 1 35 35 ILE N N 35 121.167 121.167 119.542 1.625 25177 3444 1 9 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.907 -0.124 25177 3445 1 9 . 1 1 35 35 ILE C C 35 177.219 177.219 178.197 -0.978 25177 3446 1 9 . 1 1 35 35 ILE CA C 35 63.961 63.961 64.127 -0.166 25177 3447 1 9 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.728 0.928 25177 3448 1 9 . 1 1 35 35 ILE H H 35 8.120 8.120 8.187 -0.067 25177 3449 1 9 . 1 1 36 36 ALA N N 36 124.132 124.132 122.286 1.846 25177 3450 1 9 . 1 1 36 36 ALA HA H 36 4.346 4.346 3.956 0.390 25177 3451 1 9 . 1 1 36 36 ALA C C 36 180.915 180.915 179.604 1.311 25177 3452 1 9 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.451 -0.447 25177 3453 1 9 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.053 -0.293 25177 3454 1 9 . 1 1 36 36 ALA H H 36 8.161 8.161 8.168 -0.007 25177 3455 1 9 . 1 1 37 37 ALA N N 37 121.980 121.980 120.753 1.227 25177 3456 1 9 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.087 0.103 25177 3457 1 9 . 1 1 37 37 ALA C C 37 180.126 180.126 179.667 0.459 25177 3458 1 9 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.663 0.377 25177 3459 1 9 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.247 -0.647 25177 3460 1 9 . 1 1 37 37 ALA H H 37 7.887 7.887 7.974 -0.087 25177 3461 1 9 . 1 1 38 38 PHE N N 38 121.517 121.517 119.385 2.132 25177 3462 1 9 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.166 0.027 25177 3463 1 9 . 1 1 38 38 PHE C C 38 177.044 177.044 177.704 -0.660 25177 3464 1 9 . 1 1 38 38 PHE CA C 38 61.485 61.485 62.229 -0.744 25177 3465 1 9 . 1 1 38 38 PHE CB C 38 39.077 39.077 39.013 0.064 25177 3466 1 9 . 1 1 38 38 PHE H H 38 7.751 7.751 8.190 -0.439 25177 3467 1 9 . 1 1 39 39 GLU N N 39 118.815 118.815 118.227 0.588 25177 3468 1 9 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.931 -0.293 25177 3469 1 9 . 1 1 39 39 GLU C C 39 179.591 179.591 178.979 0.612 25177 3470 1 9 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.598 0.823 25177 3471 1 9 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.110 0.752 25177 3472 1 9 . 1 1 39 39 GLU H H 39 8.746 8.746 8.529 0.217 25177 3473 1 9 . 1 1 40 40 SER N N 40 115.384 115.384 115.400 -0.016 25177 3474 1 9 . 1 1 40 40 SER HA H 40 4.176 4.176 4.257 -0.081 25177 3475 1 9 . 1 1 40 40 SER C C 40 177.354 177.354 176.535 0.819 25177 3476 1 9 . 1 1 40 40 SER CA C 40 61.771 61.771 61.401 0.370 25177 3477 1 9 . 1 1 40 40 SER CB C 40 62.786 62.786 62.955 -0.169 25177 3478 1 9 . 1 1 40 40 SER H H 40 8.171 8.171 8.131 0.040 25177 3479 1 9 . 1 1 41 41 GLU N N 41 123.650 123.650 121.169 2.481 25177 3480 1 9 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.096 -0.023 25177 3481 1 9 . 1 1 41 41 GLU C C 41 179.360 179.360 178.602 0.758 25177 3482 1 9 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.720 0.790 25177 3483 1 9 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.043 -0.522 25177 3484 1 9 . 1 1 41 41 GLU H H 41 7.819 7.819 7.864 -0.045 25177 3485 1 9 . 1 1 42 42 LEU N N 42 119.352 119.352 117.912 1.440 25177 3486 1 9 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.052 -0.285 25177 3487 1 9 . 1 1 42 42 LEU C C 42 179.152 179.152 179.533 -0.381 25177 3488 1 9 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.409 -0.445 25177 3489 1 9 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.285 -0.793 25177 3490 1 9 . 1 1 42 42 LEU H H 42 7.816 7.816 8.068 -0.252 25177 3491 1 9 . 1 1 43 43 GLN N N 43 118.423 118.423 118.263 0.160 25177 3492 1 9 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.104 -0.146 25177 3493 1 9 . 1 1 43 43 GLN C C 43 177.081 177.081 176.983 0.098 25177 3494 1 9 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.936 0.229 25177 3495 1 9 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.091 0.116 25177 3496 1 9 . 1 1 43 43 GLN H H 43 7.785 7.785 8.258 -0.473 25177 3497 1 9 . 1 1 44 44 ALA N N 44 120.300 120.300 119.823 0.477 25177 3498 1 9 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.190 -0.029 25177 3499 1 9 . 1 1 44 44 ALA C C 44 177.823 177.823 178.612 -0.789 25177 3500 1 9 . 1 1 44 44 ALA CA C 44 53.156 53.156 52.755 0.401 25177 3501 1 9 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.298 0.127 25177 3502 1 9 . 1 1 44 44 ALA H H 44 7.380 7.380 7.505 -0.125 25177 3503 1 9 . 1 1 45 45 TYR N N 45 118.887 118.887 119.579 -0.692 25177 3504 1 9 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.087 0.286 25177 3505 1 9 . 1 1 45 45 TYR C C 45 176.018 176.018 176.960 -0.942 25177 3506 1 9 . 1 1 45 45 TYR CA C 45 58.749 58.749 60.971 -2.222 25177 3507 1 9 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.484 0.313 25177 3508 1 9 . 1 1 45 45 TYR H H 45 7.438 7.438 7.538 -0.100 25177 3509 1 9 . 1 1 46 46 LYS N N 46 124.177 124.177 116.308 7.869 25177 3510 1 9 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.412 -0.226 25177 3511 1 9 . 1 1 46 46 LYS C C 46 176.900 176.900 176.532 0.368 25177 3512 1 9 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.327 0.391 25177 3513 1 9 . 1 1 46 46 LYS CB C 46 32.774 32.774 33.487 -0.714 25177 3514 1 9 . 1 1 46 46 LYS H H 46 7.884 7.884 7.920 -0.036 25177 3515 1 9 . 1 1 47 47 GLY N N 47 109.590 109.590 110.381 -0.791 25177 3516 1 9 . 1 1 47 47 GLY C C 47 174.029 174.029 174.073 -0.044 25177 3517 1 9 . 1 1 47 47 GLY CA C 47 45.597 45.597 45.233 0.364 25177 3518 1 9 . 1 1 47 47 GLY H H 47 7.662 7.662 8.320 -0.658 25177 3519 1 9 . 1 1 48 48 LYS N N 48 120.521 120.521 120.359 0.162 25177 3520 1 9 . 1 1 48 48 LYS HA H 48 3.921 3.921 3.983 -0.062 25177 3521 1 9 . 1 1 48 48 LYS C C 48 177.262 177.262 177.179 0.083 25177 3522 1 9 . 1 1 48 48 LYS CA C 48 56.345 56.345 56.592 -0.247 25177 3523 1 9 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.355 0.523 25177 3524 1 9 . 1 1 48 48 LYS H H 48 8.049 8.049 8.383 -0.334 25177 3525 1 9 . 1 1 49 49 GLY N N 49 110.678 110.678 109.955 0.723 25177 3526 1 9 . 1 1 49 49 GLY C C 49 173.842 173.842 173.386 0.456 25177 3527 1 9 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.700 -0.115 25177 3528 1 9 . 1 1 49 49 GLY H H 49 8.604 8.604 8.708 -0.104 25177 3529 1 9 . 1 1 50 50 ASN N N 50 120.298 120.298 118.781 1.517 25177 3530 1 9 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.976 -0.020 25177 3531 1 9 . 1 1 50 50 ASN C C 50 177.904 177.904 174.056 3.848 25177 3532 1 9 . 1 1 50 50 ASN CA C 50 51.649 51.649 50.670 0.979 25177 3533 1 9 . 1 1 50 50 ASN CB C 50 38.943 38.943 39.184 -0.241 25177 3534 1 9 . 1 1 50 50 ASN H H 50 8.045 8.045 8.046 -0.001 25177 3535 1 9 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.472 -0.200 25177 3536 1 9 . 1 1 51 51 PRO C C 51 178.931 178.931 177.737 1.194 25177 3537 1 9 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.331 0.778 25177 3538 1 9 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.100 -0.266 25177 3539 1 9 . 1 1 52 52 GLU N N 52 119.291 119.291 118.197 1.094 25177 3540 1 9 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.951 0.108 25177 3541 1 9 . 1 1 52 52 GLU C C 52 178.805 178.805 178.668 0.137 25177 3542 1 9 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.017 0.156 25177 3543 1 9 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.417 0.268 25177 3544 1 9 . 1 1 52 52 GLU H H 52 8.344 8.344 8.725 -0.381 25177 3545 1 9 . 1 1 53 53 VAL N N 53 120.013 120.013 119.162 0.851 25177 3546 1 9 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.855 -0.353 25177 3547 1 9 . 1 1 53 53 VAL C C 53 177.587 177.587 177.232 0.355 25177 3548 1 9 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.316 0.630 25177 3549 1 9 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.516 -0.041 25177 3550 1 9 . 1 1 53 53 VAL H H 53 7.304 7.304 7.567 -0.263 25177 3551 1 9 . 1 1 54 54 GLU N N 54 119.848 119.848 120.928 -1.080 25177 3552 1 9 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.979 0.069 25177 3553 1 9 . 1 1 54 54 GLU C C 54 178.910 178.910 178.142 0.768 25177 3554 1 9 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.724 -0.867 25177 3555 1 9 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.015 -0.316 25177 3556 1 9 . 1 1 54 54 GLU H H 54 7.820 7.820 8.125 -0.305 25177 3557 1 9 . 1 1 55 55 ALA N N 55 121.463 121.463 122.520 -1.057 25177 3558 1 9 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.143 0.002 25177 3559 1 9 . 1 1 55 55 ALA C C 55 180.920 180.920 179.549 1.371 25177 3560 1 9 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.986 0.273 25177 3561 1 9 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.708 -0.908 25177 3562 1 9 . 1 1 55 55 ALA H H 55 7.701 7.701 7.474 0.227 25177 3563 1 9 . 1 1 56 56 LEU N N 56 120.343 120.343 119.549 0.794 25177 3564 1 9 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.912 0.233 25177 3565 1 9 . 1 1 56 56 LEU C C 56 178.721 178.721 179.453 -0.732 25177 3566 1 9 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.066 -0.167 25177 3567 1 9 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.413 0.784 25177 3568 1 9 . 1 1 56 56 LEU H H 56 7.656 7.656 7.939 -0.283 25177 3569 1 9 . 1 1 57 57 ARG N N 57 119.950 119.950 119.190 0.760 25177 3570 1 9 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.976 -0.155 25177 3571 1 9 . 1 1 57 57 ARG C C 57 179.667 179.667 178.475 1.192 25177 3572 1 9 . 1 1 57 57 ARG CA C 57 60.187 60.187 60.046 0.141 25177 3573 1 9 . 1 1 57 57 ARG CB C 57 29.185 29.185 30.142 -0.957 25177 3574 1 9 . 1 1 57 57 ARG H H 57 8.350 8.350 8.398 -0.048 25177 3575 1 9 . 1 1 58 58 LYS N N 58 120.501 120.501 119.724 0.777 25177 3576 1 9 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.007 0.023 25177 3577 1 9 . 1 1 58 58 LYS C C 58 179.448 179.448 178.916 0.532 25177 3578 1 9 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.702 -0.124 25177 3579 1 9 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.280 0.089 25177 3580 1 9 . 1 1 58 58 LYS H H 58 7.989 7.989 7.943 0.046 25177 3581 1 9 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.895 0.249 25177 3582 1 9 . 1 1 59 59 GLU C C 59 178.877 178.877 178.826 0.051 25177 3583 1 9 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.942 -0.523 25177 3584 1 9 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.430 -0.197 25177 3585 1 9 . 1 1 59 59 GLU H H 59 7.891 7.891 8.125 -0.234 25177 3586 1 9 . 1 1 60 60 ALA N N 60 122.069 122.069 121.654 0.415 25177 3587 1 9 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.947 -0.011 25177 3588 1 9 . 1 1 60 60 ALA C C 60 178.379 178.379 179.533 -1.154 25177 3589 1 9 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.171 -0.277 25177 3590 1 9 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.102 -0.574 25177 3591 1 9 . 1 1 60 60 ALA H H 60 8.480 8.480 7.959 0.521 25177 3592 1 9 . 1 1 61 61 ALA N N 61 121.446 121.446 120.983 0.463 25177 3593 1 9 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.917 0.228 25177 3594 1 9 . 1 1 61 61 ALA C C 61 178.579 178.579 179.386 -0.807 25177 3595 1 9 . 1 1 61 61 ALA CA C 61 55.440 55.440 55.112 0.328 25177 3596 1 9 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.381 -0.215 25177 3597 1 9 . 1 1 61 61 ALA H H 61 7.702 7.702 7.978 -0.276 25177 3598 1 9 . 1 1 62 62 ALA N N 62 119.705 119.705 121.684 -1.979 25177 3599 1 9 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.005 0.027 25177 3600 1 9 . 1 1 62 62 ALA C C 62 180.829 180.829 179.644 1.185 25177 3601 1 9 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.824 -0.029 25177 3602 1 9 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.464 -0.792 25177 3603 1 9 . 1 1 62 62 ALA H H 62 7.818 7.818 7.770 0.048 25177 3604 1 9 . 1 1 63 63 ILE N N 63 121.021 121.021 119.750 1.271 25177 3605 1 9 . 1 1 63 63 ILE HA H 63 3.851 3.851 4.084 -0.233 25177 3606 1 9 . 1 1 63 63 ILE C C 63 178.076 178.076 178.033 0.043 25177 3607 1 9 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.431 -0.743 25177 3608 1 9 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.598 0.357 25177 3609 1 9 . 1 1 63 63 ILE H H 63 7.876 7.876 8.059 -0.183 25177 3610 1 9 . 1 1 64 64 ARG N N 64 121.460 121.460 120.304 1.156 25177 3611 1 9 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.878 0.013 25177 3612 1 9 . 1 1 64 64 ARG C C 64 178.617 178.617 178.205 0.412 25177 3613 1 9 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.953 0.374 25177 3614 1 9 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.905 -0.583 25177 3615 1 9 . 1 1 64 64 ARG H H 64 8.023 8.023 8.070 -0.047 25177 3616 1 9 . 1 1 65 65 ASP N N 65 119.343 119.343 119.255 0.088 25177 3617 1 9 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.325 0.060 25177 3618 1 9 . 1 1 65 65 ASP C C 65 178.827 178.827 178.742 0.085 25177 3619 1 9 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.246 0.067 25177 3620 1 9 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.142 0.220 25177 3621 1 9 . 1 1 65 65 ASP H H 65 8.046 8.046 8.147 -0.101 25177 3622 1 9 . 1 1 66 66 GLU N N 66 121.291 121.291 120.449 0.842 25177 3623 1 9 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.644 0.394 25177 3624 1 9 . 1 1 66 66 GLU C C 66 178.410 178.410 178.539 -0.129 25177 3625 1 9 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.028 -0.135 25177 3626 1 9 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.439 0.037 25177 3627 1 9 . 1 1 66 66 GLU H H 66 7.931 7.931 7.968 -0.037 25177 3628 1 9 . 1 1 67 67 CYS N N 67 117.825 117.825 117.440 0.385 25177 3629 1 9 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.108 0.091 25177 3630 1 9 . 1 1 67 67 CYS C C 67 176.095 176.095 176.988 -0.893 25177 3631 1 9 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.664 -3.179 25177 3632 1 9 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.522 -0.511 25177 3633 1 9 . 1 1 67 67 CYS H H 67 8.009 8.009 8.141 -0.132 25177 3634 1 9 . 1 1 68 68 GLN N N 68 118.847 118.847 118.168 0.679 25177 3635 1 9 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.152 -0.035 25177 3636 1 9 . 1 1 68 68 GLN C C 68 177.110 177.110 177.489 -0.379 25177 3637 1 9 . 1 1 68 68 GLN CA C 68 57.454 57.454 57.682 -0.228 25177 3638 1 9 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.040 0.308 25177 3639 1 9 . 1 1 68 68 GLN H H 68 7.906 7.906 7.952 -0.046 25177 3640 1 9 . 1 1 69 69 ALA N N 69 122.260 122.260 119.445 2.815 25177 3641 1 9 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.195 -0.092 25177 3642 1 9 . 1 1 69 69 ALA C C 69 178.367 178.367 178.123 0.244 25177 3643 1 9 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.382 0.300 25177 3644 1 9 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.431 -0.235 25177 3645 1 9 . 1 1 69 69 ALA H H 69 7.648 7.648 7.477 0.171 25177 3646 1 9 . 1 1 70 70 TYR N N 70 117.039 117.039 117.083 -0.044 25177 3647 1 9 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.563 -0.153 25177 3648 1 9 . 1 1 70 70 TYR C C 70 176.061 176.061 177.033 -0.972 25177 3649 1 9 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.729 -0.273 25177 3650 1 9 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.708 -1.497 25177 3651 1 9 . 1 1 70 70 TYR H H 70 7.541 7.541 7.266 0.275 25177 3652 1 9 . 1 1 71 71 ARG N N 71 120.503 120.503 118.295 2.208 25177 3653 1 9 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.577 -0.333 25177 3654 1 9 . 1 1 71 71 ARG C C 71 175.759 175.759 175.569 0.190 25177 3655 1 9 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.235 -0.215 25177 3656 1 9 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.874 -0.245 25177 3657 1 9 . 1 1 71 71 ARG H H 71 7.541 7.541 7.800 -0.259 25177 3658 1 9 . 1 1 72 72 HIS N N 72 120.119 120.119 116.026 4.093 25177 3659 1 9 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.613 0.051 25177 3660 1 9 . 1 1 72 72 HIS C C 72 173.738 173.738 173.126 0.612 25177 3661 1 9 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.338 -0.945 25177 3662 1 9 . 1 1 72 72 HIS CB C 72 29.761 29.761 30.135 -0.374 25177 3663 1 9 . 1 1 72 72 HIS H H 72 8.126 8.126 8.164 -0.038 25177 3664 1 10 . 1 1 3 3 SER HA H 3 4.362 4.362 4.814 -0.452 25177 3665 1 10 . 1 1 3 3 SER C C 3 176.187 176.187 175.127 1.060 25177 3666 1 10 . 1 1 3 3 SER CA C 3 55.064 55.064 57.753 -2.689 25177 3667 1 10 . 1 1 3 3 SER CB C 3 61.154 61.154 62.839 -1.685 25177 3668 1 10 . 1 1 4 4 TRP N N 4 122.487 122.487 125.215 -2.728 25177 3669 1 10 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.295 0.237 25177 3670 1 10 . 1 1 4 4 TRP C C 4 177.481 177.481 176.761 0.720 25177 3671 1 10 . 1 1 4 4 TRP CA C 4 59.541 59.541 62.447 -2.906 25177 3672 1 10 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.551 0.006 25177 3673 1 10 . 1 1 4 4 TRP H H 4 8.287 8.287 7.874 0.413 25177 3674 1 10 . 1 1 5 5 ALA N N 5 121.306 121.306 120.985 0.321 25177 3675 1 10 . 1 1 5 5 ALA HA H 5 3.882 3.882 4.049 -0.167 25177 3676 1 10 . 1 1 5 5 ALA C C 5 180.462 180.462 179.897 0.565 25177 3677 1 10 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.710 -0.312 25177 3678 1 10 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.922 0.107 25177 3679 1 10 . 1 1 5 5 ALA H H 5 8.287 8.287 8.714 -0.427 25177 3680 1 10 . 1 1 6 6 GLU N N 6 118.841 118.841 119.121 -0.280 25177 3681 1 10 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.056 0.006 25177 3682 1 10 . 1 1 6 6 GLU C C 6 179.425 179.425 179.109 0.316 25177 3683 1 10 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.318 -0.076 25177 3684 1 10 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.638 -0.421 25177 3685 1 10 . 1 1 6 6 GLU H H 6 7.805 7.805 8.413 -0.608 25177 3686 1 10 . 1 1 7 7 PHE N N 7 120.314 120.314 119.203 1.111 25177 3687 1 10 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.325 0.039 25177 3688 1 10 . 1 1 7 7 PHE C C 7 178.168 178.168 178.112 0.056 25177 3689 1 10 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.828 -0.428 25177 3690 1 10 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.775 0.399 25177 3691 1 10 . 1 1 7 7 PHE H H 7 7.950 7.950 8.223 -0.273 25177 3692 1 10 . 1 1 8 8 LYS N N 8 119.370 119.370 119.509 -0.139 25177 3693 1 10 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.809 -0.002 25177 3694 1 10 . 1 1 8 8 LYS C C 8 179.501 179.501 179.113 0.388 25177 3695 1 10 . 1 1 8 8 LYS CA C 8 60.102 60.102 60.033 0.069 25177 3696 1 10 . 1 1 8 8 LYS CB C 8 31.793 31.793 32.017 -0.223 25177 3697 1 10 . 1 1 8 8 LYS H H 8 8.214 8.214 8.426 -0.212 25177 3698 1 10 . 1 1 9 9 GLN N N 9 120.219 120.219 119.315 0.904 25177 3699 1 10 . 1 1 9 9 GLN HA H 9 4.075 4.075 4.014 0.061 25177 3700 1 10 . 1 1 9 9 GLN C C 9 178.818 178.818 178.475 0.343 25177 3701 1 10 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.409 -0.811 25177 3702 1 10 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.734 -0.634 25177 3703 1 10 . 1 1 9 9 GLN H H 9 7.859 7.859 8.209 -0.350 25177 3704 1 10 . 1 1 10 10 ARG N N 10 122.005 122.005 119.891 2.114 25177 3705 1 10 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.898 0.155 25177 3706 1 10 . 1 1 10 10 ARG C C 10 179.057 179.057 178.919 0.138 25177 3707 1 10 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.535 -0.460 25177 3708 1 10 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.851 0.684 25177 3709 1 10 . 1 1 10 10 ARG H H 10 8.135 8.135 8.053 0.082 25177 3710 1 10 . 1 1 11 11 LEU N N 11 120.796 120.796 119.564 1.232 25177 3711 1 10 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.762 -0.121 25177 3712 1 10 . 1 1 11 11 LEU C C 11 177.921 177.921 178.598 -0.677 25177 3713 1 10 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.730 -0.504 25177 3714 1 10 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.671 -1.067 25177 3715 1 10 . 1 1 11 11 LEU H H 11 8.066 8.066 8.100 -0.034 25177 3716 1 10 . 1 1 12 12 ALA N N 12 121.596 121.596 121.987 -0.391 25177 3717 1 10 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.922 0.091 25177 3718 1 10 . 1 1 12 12 ALA C C 12 180.299 180.299 179.320 0.979 25177 3719 1 10 . 1 1 12 12 ALA CA C 12 55.055 55.055 54.972 0.083 25177 3720 1 10 . 1 1 12 12 ALA CB C 12 17.431 17.431 18.084 -0.653 25177 3721 1 10 . 1 1 12 12 ALA H H 12 7.670 7.670 8.040 -0.370 25177 3722 1 10 . 1 1 13 13 ALA N N 13 121.486 121.486 121.386 0.100 25177 3723 1 10 . 1 1 13 13 ALA HA H 13 4.162 4.162 4.027 0.135 25177 3724 1 10 . 1 1 13 13 ALA C C 13 180.732 180.732 179.560 1.172 25177 3725 1 10 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.994 -0.113 25177 3726 1 10 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.295 -0.479 25177 3727 1 10 . 1 1 13 13 ALA H H 13 7.601 7.601 7.941 -0.340 25177 3728 1 10 . 1 1 14 14 ILE N N 14 121.912 121.912 118.428 3.484 25177 3729 1 10 . 1 1 14 14 ILE HA H 14 3.674 3.674 2.938 0.736 25177 3730 1 10 . 1 1 14 14 ILE C C 14 177.883 177.883 178.194 -0.311 25177 3731 1 10 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.105 0.716 25177 3732 1 10 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.125 0.953 25177 3733 1 10 . 1 1 14 14 ILE H H 14 7.843 7.843 7.930 -0.087 25177 3734 1 10 . 1 1 15 15 LYS N N 15 121.705 121.705 120.298 1.407 25177 3735 1 10 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.975 -0.138 25177 3736 1 10 . 1 1 15 15 LYS C C 15 178.896 178.896 179.001 -0.105 25177 3737 1 10 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.146 0.292 25177 3738 1 10 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.413 -0.295 25177 3739 1 10 . 1 1 15 15 LYS H H 15 8.439 8.439 8.127 0.312 25177 3740 1 10 . 1 1 16 16 THR N N 16 115.218 115.218 117.129 -1.911 25177 3741 1 10 . 1 1 16 16 THR HA H 16 3.919 3.919 3.983 -0.064 25177 3742 1 10 . 1 1 16 16 THR C C 16 176.872 176.872 176.997 -0.125 25177 3743 1 10 . 1 1 16 16 THR CA C 16 66.297 66.297 67.121 -0.824 25177 3744 1 10 . 1 1 16 16 THR CB C 16 69.045 69.045 68.757 0.288 25177 3745 1 10 . 1 1 16 16 THR H H 16 7.936 7.936 8.216 -0.280 25177 3746 1 10 . 1 1 17 17 ARG N N 17 122.508 122.508 121.392 1.116 25177 3747 1 10 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.159 -0.140 25177 3748 1 10 . 1 1 17 17 ARG C C 17 178.281 178.281 178.796 -0.515 25177 3749 1 10 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.442 -0.472 25177 3750 1 10 . 1 1 17 17 ARG CB C 17 30.138 30.138 30.139 -0.001 25177 3751 1 10 . 1 1 17 17 ARG H H 17 7.781 7.781 8.331 -0.550 25177 3752 1 10 . 1 1 18 18 CYS N N 18 119.296 119.296 117.785 1.511 25177 3753 1 10 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.333 -0.859 25177 3754 1 10 . 1 1 18 18 CYS C C 18 176.151 176.151 176.293 -0.142 25177 3755 1 10 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.424 -0.069 25177 3756 1 10 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.653 -1.081 25177 3757 1 10 . 1 1 18 18 CYS H H 18 8.158 8.158 8.083 0.075 25177 3758 1 10 . 1 1 19 19 GLN N N 19 116.825 116.825 118.187 -1.362 25177 3759 1 10 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.294 -0.254 25177 3760 1 10 . 1 1 19 19 GLN C C 19 176.178 176.178 178.108 -1.930 25177 3761 1 10 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.559 -1.179 25177 3762 1 10 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.373 -1.089 25177 3763 1 10 . 1 1 19 19 GLN H H 19 7.523 7.523 7.888 -0.365 25177 3764 1 10 . 1 1 20 20 ALA N N 20 121.265 121.265 120.630 0.635 25177 3765 1 10 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.183 0.178 25177 3766 1 10 . 1 1 20 20 ALA C C 20 177.491 177.491 177.863 -0.372 25177 3767 1 10 . 1 1 20 20 ALA CA C 20 51.870 51.870 53.130 -1.260 25177 3768 1 10 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.248 -0.057 25177 3769 1 10 . 1 1 20 20 ALA H H 20 7.322 7.322 7.905 -0.583 25177 3770 1 10 . 1 1 21 21 LEU N N 21 120.570 120.570 116.177 4.393 25177 3771 1 10 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.908 0.122 25177 3772 1 10 . 1 1 21 21 LEU C C 21 177.889 177.889 176.871 1.018 25177 3773 1 10 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.099 0.861 25177 3774 1 10 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.308 3.180 25177 3775 1 10 . 1 1 21 21 LEU H H 21 7.200 7.200 7.862 -0.662 25177 3776 1 10 . 1 1 22 22 GLY N N 22 109.881 109.881 104.097 5.784 25177 3777 1 10 . 1 1 22 22 GLY C C 22 174.896 174.896 174.495 0.401 25177 3778 1 10 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.774 0.788 25177 3779 1 10 . 1 1 22 22 GLY H H 22 8.454 8.454 7.929 0.525 25177 3780 1 10 . 1 1 23 23 GLY N N 23 107.014 107.014 109.351 -2.337 25177 3781 1 10 . 1 1 23 23 GLY C C 23 174.347 174.347 173.740 0.607 25177 3782 1 10 . 1 1 23 23 GLY CA C 23 45.514 45.514 44.778 0.736 25177 3783 1 10 . 1 1 23 23 GLY H H 23 7.759 7.759 8.123 -0.364 25177 3784 1 10 . 1 1 24 24 SER N N 24 116.572 116.572 113.870 2.702 25177 3785 1 10 . 1 1 24 24 SER HA H 24 4.519 4.519 4.590 -0.071 25177 3786 1 10 . 1 1 24 24 SER C C 24 175.184 175.184 173.701 1.483 25177 3787 1 10 . 1 1 24 24 SER CA C 24 57.853 57.853 56.944 0.909 25177 3788 1 10 . 1 1 24 24 SER CB C 24 64.487 64.487 66.422 -1.935 25177 3789 1 10 . 1 1 24 24 SER H H 24 8.096 8.096 7.532 0.564 25177 3790 1 10 . 1 1 25 25 GLU N N 25 126.083 126.083 121.760 4.323 25177 3791 1 10 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.112 -0.259 25177 3792 1 10 . 1 1 25 25 GLU C C 25 178.773 178.773 177.320 1.453 25177 3793 1 10 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.808 1.166 25177 3794 1 10 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.320 -0.138 25177 3795 1 10 . 1 1 25 25 GLU H H 25 9.042 9.042 8.800 0.242 25177 3796 1 10 . 1 1 26 26 ALA N N 26 121.614 121.614 122.437 -0.823 25177 3797 1 10 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.246 -0.099 25177 3798 1 10 . 1 1 26 26 ALA C C 26 180.987 180.987 179.383 1.604 25177 3799 1 10 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.634 1.357 25177 3800 1 10 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.260 -0.161 25177 3801 1 10 . 1 1 26 26 ALA H H 26 8.514 8.514 7.953 0.561 25177 3802 1 10 . 1 1 27 27 GLU N N 27 119.564 119.564 120.084 -0.520 25177 3803 1 10 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.970 0.141 25177 3804 1 10 . 1 1 27 27 GLU C C 27 179.198 179.198 178.502 0.696 25177 3805 1 10 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.039 -0.213 25177 3806 1 10 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.862 1.096 25177 3807 1 10 . 1 1 27 27 GLU H H 27 7.757 7.757 8.682 -0.925 25177 3808 1 10 . 1 1 28 28 CYS N N 28 120.060 120.060 118.349 1.711 25177 3809 1 10 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.948 0.183 25177 3810 1 10 . 1 1 28 28 CYS C C 28 176.521 176.521 176.984 -0.463 25177 3811 1 10 . 1 1 28 28 CYS CA C 28 63.711 63.711 62.718 0.993 25177 3812 1 10 . 1 1 28 28 CYS CB C 28 26.601 26.601 25.765 0.836 25177 3813 1 10 . 1 1 28 28 CYS H H 28 8.145 8.145 7.580 0.565 25177 3814 1 10 . 1 1 29 29 ALA N N 29 122.930 122.930 122.668 0.262 25177 3815 1 10 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.989 0.221 25177 3816 1 10 . 1 1 29 29 ALA C C 29 179.659 179.659 178.984 0.675 25177 3817 1 10 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.304 -0.410 25177 3818 1 10 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.907 -0.206 25177 3819 1 10 . 1 1 29 29 ALA H H 29 8.342 8.342 7.809 0.533 25177 3820 1 10 . 1 1 30 30 ALA N N 30 121.235 121.235 121.085 0.150 25177 3821 1 10 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.087 0.138 25177 3822 1 10 . 1 1 30 30 ALA C C 30 180.452 180.452 179.790 0.662 25177 3823 1 10 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.862 0.098 25177 3824 1 10 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.219 -0.470 25177 3825 1 10 . 1 1 30 30 ALA H H 30 7.676 7.676 7.690 -0.014 25177 3826 1 10 . 1 1 31 31 PHE N N 31 121.297 121.297 118.651 2.646 25177 3827 1 10 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.111 0.230 25177 3828 1 10 . 1 1 31 31 PHE C C 31 177.355 177.355 177.644 -0.289 25177 3829 1 10 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.188 0.831 25177 3830 1 10 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.560 0.754 25177 3831 1 10 . 1 1 31 31 PHE H H 31 8.086 8.086 8.145 -0.059 25177 3832 1 10 . 1 1 32 32 GLU N N 32 119.861 119.861 119.983 -0.122 25177 3833 1 10 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.865 -0.081 25177 3834 1 10 . 1 1 32 32 GLU C C 32 178.906 178.906 178.965 -0.059 25177 3835 1 10 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.041 -0.097 25177 3836 1 10 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.592 -0.649 25177 3837 1 10 . 1 1 32 32 GLU H H 32 8.417 8.417 8.277 0.140 25177 3838 1 10 . 1 1 33 33 LYS N N 33 118.133 118.133 119.392 -1.259 25177 3839 1 10 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.959 0.085 25177 3840 1 10 . 1 1 33 33 LYS C C 33 179.471 179.471 179.034 0.437 25177 3841 1 10 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.864 -0.467 25177 3842 1 10 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.357 -0.126 25177 3843 1 10 . 1 1 33 33 LYS H H 33 7.491 7.491 7.934 -0.443 25177 3844 1 10 . 1 1 34 34 GLU N N 34 121.763 121.763 119.658 2.105 25177 3845 1 10 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.989 0.128 25177 3846 1 10 . 1 1 34 34 GLU C C 34 179.955 179.955 179.118 0.837 25177 3847 1 10 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.300 0.216 25177 3848 1 10 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.330 0.133 25177 3849 1 10 . 1 1 34 34 GLU H H 34 7.699 7.699 7.988 -0.289 25177 3850 1 10 . 1 1 35 35 ILE N N 35 121.167 121.167 119.268 1.899 25177 3851 1 10 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.635 0.148 25177 3852 1 10 . 1 1 35 35 ILE C C 35 177.219 177.219 178.123 -0.904 25177 3853 1 10 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.795 0.166 25177 3854 1 10 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.587 1.069 25177 3855 1 10 . 1 1 35 35 ILE H H 35 8.120 8.120 7.947 0.173 25177 3856 1 10 . 1 1 36 36 ALA N N 36 124.132 124.132 122.927 1.205 25177 3857 1 10 . 1 1 36 36 ALA HA H 36 4.346 4.346 3.952 0.394 25177 3858 1 10 . 1 1 36 36 ALA C C 36 180.915 180.915 179.562 1.353 25177 3859 1 10 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.238 -0.234 25177 3860 1 10 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.065 -0.305 25177 3861 1 10 . 1 1 36 36 ALA H H 36 8.161 8.161 8.060 0.101 25177 3862 1 10 . 1 1 37 37 ALA N N 37 121.980 121.980 120.704 1.276 25177 3863 1 10 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.149 0.041 25177 3864 1 10 . 1 1 37 37 ALA C C 37 180.126 180.126 179.762 0.364 25177 3865 1 10 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.722 0.318 25177 3866 1 10 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.363 -0.763 25177 3867 1 10 . 1 1 37 37 ALA H H 37 7.887 7.887 8.023 -0.136 25177 3868 1 10 . 1 1 38 38 PHE N N 38 121.517 121.517 119.409 2.108 25177 3869 1 10 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.177 0.016 25177 3870 1 10 . 1 1 38 38 PHE C C 38 177.044 177.044 177.617 -0.573 25177 3871 1 10 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.928 0.557 25177 3872 1 10 . 1 1 38 38 PHE CB C 38 39.077 39.077 39.097 -0.020 25177 3873 1 10 . 1 1 38 38 PHE H H 38 7.751 7.751 8.245 -0.494 25177 3874 1 10 . 1 1 39 39 GLU N N 39 118.815 118.815 118.319 0.496 25177 3875 1 10 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.936 -0.298 25177 3876 1 10 . 1 1 39 39 GLU C C 39 179.591 179.591 178.919 0.672 25177 3877 1 10 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.635 0.787 25177 3878 1 10 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.133 0.729 25177 3879 1 10 . 1 1 39 39 GLU H H 39 8.746 8.746 8.576 0.170 25177 3880 1 10 . 1 1 40 40 SER N N 40 115.384 115.384 115.522 -0.138 25177 3881 1 10 . 1 1 40 40 SER HA H 40 4.176 4.176 4.230 -0.054 25177 3882 1 10 . 1 1 40 40 SER C C 40 177.354 177.354 176.859 0.495 25177 3883 1 10 . 1 1 40 40 SER CA C 40 61.771 61.771 61.495 0.276 25177 3884 1 10 . 1 1 40 40 SER CB C 40 62.786 62.786 63.038 -0.253 25177 3885 1 10 . 1 1 40 40 SER H H 40 8.171 8.171 8.168 0.003 25177 3886 1 10 . 1 1 41 41 GLU N N 41 123.650 123.650 121.629 2.021 25177 3887 1 10 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.058 0.015 25177 3888 1 10 . 1 1 41 41 GLU C C 41 179.360 179.360 178.786 0.574 25177 3889 1 10 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.460 1.050 25177 3890 1 10 . 1 1 41 41 GLU CB C 41 29.521 29.521 29.749 -0.228 25177 3891 1 10 . 1 1 41 41 GLU H H 41 7.819 7.819 7.948 -0.129 25177 3892 1 10 . 1 1 42 42 LEU N N 42 119.352 119.352 118.806 0.546 25177 3893 1 10 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.067 -0.300 25177 3894 1 10 . 1 1 42 42 LEU C C 42 179.152 179.152 178.761 0.391 25177 3895 1 10 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.448 -0.484 25177 3896 1 10 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.135 -0.643 25177 3897 1 10 . 1 1 42 42 LEU H H 42 7.816 7.816 8.031 -0.215 25177 3898 1 10 . 1 1 43 43 GLN N N 43 118.423 118.423 116.960 1.463 25177 3899 1 10 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.104 -0.146 25177 3900 1 10 . 1 1 43 43 GLN C C 43 177.081 177.081 177.129 -0.048 25177 3901 1 10 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.775 0.390 25177 3902 1 10 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.322 -0.115 25177 3903 1 10 . 1 1 43 43 GLN H H 43 7.785 7.785 8.066 -0.281 25177 3904 1 10 . 1 1 44 44 ALA N N 44 120.300 120.300 121.341 -1.041 25177 3905 1 10 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.145 0.016 25177 3906 1 10 . 1 1 44 44 ALA C C 44 177.823 177.823 178.752 -0.929 25177 3907 1 10 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.733 -0.577 25177 3908 1 10 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.271 0.154 25177 3909 1 10 . 1 1 44 44 ALA H H 44 7.380 7.380 7.574 -0.194 25177 3910 1 10 . 1 1 45 45 TYR N N 45 118.887 118.887 118.235 0.652 25177 3911 1 10 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.220 0.153 25177 3912 1 10 . 1 1 45 45 TYR C C 45 176.018 176.018 176.176 -0.158 25177 3913 1 10 . 1 1 45 45 TYR CA C 45 58.749 58.749 58.797 -0.048 25177 3914 1 10 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.509 0.288 25177 3915 1 10 . 1 1 45 45 TYR H H 45 7.438 7.438 7.278 0.160 25177 3916 1 10 . 1 1 46 46 LYS N N 46 124.177 124.177 119.258 4.919 25177 3917 1 10 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.008 0.178 25177 3918 1 10 . 1 1 46 46 LYS C C 46 176.900 176.900 175.232 1.668 25177 3919 1 10 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.901 -0.183 25177 3920 1 10 . 1 1 46 46 LYS CB C 46 32.774 32.774 31.859 0.915 25177 3921 1 10 . 1 1 46 46 LYS H H 46 7.884 7.884 8.177 -0.293 25177 3922 1 10 . 1 1 47 47 GLY N N 47 109.590 109.590 112.265 -2.675 25177 3923 1 10 . 1 1 47 47 GLY C C 47 174.029 174.029 173.753 0.276 25177 3924 1 10 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.747 0.850 25177 3925 1 10 . 1 1 47 47 GLY H H 47 7.662 7.662 8.494 -0.832 25177 3926 1 10 . 1 1 48 48 LYS N N 48 120.521 120.521 120.670 -0.149 25177 3927 1 10 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.023 -0.102 25177 3928 1 10 . 1 1 48 48 LYS C C 48 177.262 177.262 176.531 0.731 25177 3929 1 10 . 1 1 48 48 LYS CA C 48 56.345 56.345 56.407 -0.062 25177 3930 1 10 . 1 1 48 48 LYS CB C 48 32.878 32.878 30.896 1.982 25177 3931 1 10 . 1 1 48 48 LYS H H 48 8.049 8.049 8.332 -0.283 25177 3932 1 10 . 1 1 49 49 GLY N N 49 110.678 110.678 108.326 2.352 25177 3933 1 10 . 1 1 49 49 GLY C C 49 173.842 173.842 173.911 -0.069 25177 3934 1 10 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.031 0.554 25177 3935 1 10 . 1 1 49 49 GLY H H 49 8.604 8.604 8.428 0.176 25177 3936 1 10 . 1 1 50 50 ASN N N 50 120.298 120.298 116.160 4.138 25177 3937 1 10 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.461 0.495 25177 3938 1 10 . 1 1 50 50 ASN C C 50 177.904 177.904 174.320 3.584 25177 3939 1 10 . 1 1 50 50 ASN CA C 50 51.649 51.649 53.353 -1.704 25177 3940 1 10 . 1 1 50 50 ASN CB C 50 38.943 38.943 36.381 2.562 25177 3941 1 10 . 1 1 50 50 ASN H H 50 8.045 8.045 7.750 0.295 25177 3942 1 10 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.334 -0.062 25177 3943 1 10 . 1 1 51 51 PRO C C 51 178.931 178.931 178.651 0.280 25177 3944 1 10 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.970 0.139 25177 3945 1 10 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.035 -0.201 25177 3946 1 10 . 1 1 52 52 GLU N N 52 119.291 119.291 119.339 -0.048 25177 3947 1 10 . 1 1 52 52 GLU HA H 52 4.059 4.059 4.244 -0.185 25177 3948 1 10 . 1 1 52 52 GLU C C 52 178.805 178.805 178.196 0.609 25177 3949 1 10 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.611 -0.438 25177 3950 1 10 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.207 0.478 25177 3951 1 10 . 1 1 52 52 GLU H H 52 8.344 8.344 8.903 -0.559 25177 3952 1 10 . 1 1 53 53 VAL N N 53 120.013 120.013 119.101 0.912 25177 3953 1 10 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.864 -0.362 25177 3954 1 10 . 1 1 53 53 VAL C C 53 177.587 177.587 177.916 -0.329 25177 3955 1 10 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.382 0.564 25177 3956 1 10 . 1 1 53 53 VAL CB C 53 31.475 31.475 30.801 0.674 25177 3957 1 10 . 1 1 53 53 VAL H H 53 7.304 7.304 8.111 -0.807 25177 3958 1 10 . 1 1 54 54 GLU N N 54 119.848 119.848 120.241 -0.393 25177 3959 1 10 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.005 0.043 25177 3960 1 10 . 1 1 54 54 GLU C C 54 178.910 178.910 178.550 0.360 25177 3961 1 10 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.980 -1.123 25177 3962 1 10 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.808 -0.109 25177 3963 1 10 . 1 1 54 54 GLU H H 54 7.820 7.820 7.896 -0.076 25177 3964 1 10 . 1 1 55 55 ALA N N 55 121.463 121.463 122.100 -0.637 25177 3965 1 10 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.141 0.004 25177 3966 1 10 . 1 1 55 55 ALA C C 55 180.920 180.920 179.866 1.054 25177 3967 1 10 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.986 0.273 25177 3968 1 10 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.161 -0.361 25177 3969 1 10 . 1 1 55 55 ALA H H 55 7.701 7.701 7.815 -0.114 25177 3970 1 10 . 1 1 56 56 LEU N N 56 120.343 120.343 118.478 1.865 25177 3971 1 10 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.827 0.318 25177 3972 1 10 . 1 1 56 56 LEU C C 56 178.721 178.721 179.430 -0.709 25177 3973 1 10 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.280 -0.381 25177 3974 1 10 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.309 0.889 25177 3975 1 10 . 1 1 56 56 LEU H H 56 7.656 7.656 7.522 0.134 25177 3976 1 10 . 1 1 57 57 ARG N N 57 119.950 119.950 118.931 1.019 25177 3977 1 10 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.894 -0.073 25177 3978 1 10 . 1 1 57 57 ARG C C 57 179.667 179.667 178.761 0.906 25177 3979 1 10 . 1 1 57 57 ARG CA C 57 60.187 60.187 60.174 0.013 25177 3980 1 10 . 1 1 57 57 ARG CB C 57 29.185 29.185 30.104 -0.919 25177 3981 1 10 . 1 1 57 57 ARG H H 57 8.350 8.350 8.495 -0.145 25177 3982 1 10 . 1 1 58 58 LYS N N 58 120.501 120.501 119.584 0.917 25177 3983 1 10 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.012 0.018 25177 3984 1 10 . 1 1 58 58 LYS C C 58 179.448 179.448 179.097 0.351 25177 3985 1 10 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.420 0.158 25177 3986 1 10 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.014 0.355 25177 3987 1 10 . 1 1 58 58 LYS H H 58 7.989 7.989 8.055 -0.066 25177 3988 1 10 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.975 0.169 25177 3989 1 10 . 1 1 59 59 GLU C C 59 178.877 178.877 178.929 -0.052 25177 3990 1 10 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.393 0.026 25177 3991 1 10 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.485 -0.253 25177 3992 1 10 . 1 1 59 59 GLU H H 59 7.891 7.891 8.139 -0.248 25177 3993 1 10 . 1 1 60 60 ALA N N 60 122.069 122.069 121.802 0.267 25177 3994 1 10 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.971 -0.035 25177 3995 1 10 . 1 1 60 60 ALA C C 60 178.379 178.379 179.586 -1.207 25177 3996 1 10 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.138 -0.244 25177 3997 1 10 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.107 -0.579 25177 3998 1 10 . 1 1 60 60 ALA H H 60 8.480 8.480 8.199 0.281 25177 3999 1 10 . 1 1 61 61 ALA N N 61 121.446 121.446 121.193 0.253 25177 4000 1 10 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.950 0.195 25177 4001 1 10 . 1 1 61 61 ALA C C 61 178.579 178.579 179.340 -0.761 25177 4002 1 10 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.960 0.480 25177 4003 1 10 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.428 -0.262 25177 4004 1 10 . 1 1 61 61 ALA H H 61 7.702 7.702 8.029 -0.327 25177 4005 1 10 . 1 1 62 62 ALA N N 62 119.705 119.705 121.771 -2.066 25177 4006 1 10 . 1 1 62 62 ALA HA H 62 4.032 4.032 3.985 0.047 25177 4007 1 10 . 1 1 62 62 ALA C C 62 180.829 180.829 179.665 1.164 25177 4008 1 10 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.915 -0.120 25177 4009 1 10 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.480 -0.808 25177 4010 1 10 . 1 1 62 62 ALA H H 62 7.818 7.818 7.805 0.013 25177 4011 1 10 . 1 1 63 63 ILE N N 63 121.021 121.021 119.696 1.325 25177 4012 1 10 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.654 0.197 25177 4013 1 10 . 1 1 63 63 ILE C C 63 178.076 178.076 178.088 -0.012 25177 4014 1 10 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.785 -1.097 25177 4015 1 10 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.565 0.390 25177 4016 1 10 . 1 1 63 63 ILE H H 63 7.876 7.876 8.130 -0.254 25177 4017 1 10 . 1 1 64 64 ARG N N 64 121.460 121.460 120.271 1.189 25177 4018 1 10 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.810 0.081 25177 4019 1 10 . 1 1 64 64 ARG C C 64 178.617 178.617 178.243 0.374 25177 4020 1 10 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.308 0.019 25177 4021 1 10 . 1 1 64 64 ARG CB C 64 29.322 29.322 30.025 -0.703 25177 4022 1 10 . 1 1 64 64 ARG H H 64 8.023 8.023 8.150 -0.127 25177 4023 1 10 . 1 1 65 65 ASP N N 65 119.343 119.343 119.297 0.046 25177 4024 1 10 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.298 0.087 25177 4025 1 10 . 1 1 65 65 ASP C C 65 178.827 178.827 178.711 0.116 25177 4026 1 10 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.608 -0.295 25177 4027 1 10 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.369 -0.006 25177 4028 1 10 . 1 1 65 65 ASP H H 65 8.046 8.046 8.135 -0.089 25177 4029 1 10 . 1 1 66 66 GLU N N 66 121.291 121.291 119.772 1.519 25177 4030 1 10 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.645 0.393 25177 4031 1 10 . 1 1 66 66 GLU C C 66 178.410 178.410 178.584 -0.174 25177 4032 1 10 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.135 -0.242 25177 4033 1 10 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.356 0.120 25177 4034 1 10 . 1 1 66 66 GLU H H 66 7.931 7.931 7.961 -0.030 25177 4035 1 10 . 1 1 67 67 CYS N N 67 117.825 117.825 117.862 -0.037 25177 4036 1 10 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.066 0.133 25177 4037 1 10 . 1 1 67 67 CYS C C 67 176.095 176.095 177.028 -0.933 25177 4038 1 10 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.117 -2.632 25177 4039 1 10 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.519 -0.508 25177 4040 1 10 . 1 1 67 67 CYS H H 67 8.009 8.009 8.103 -0.094 25177 4041 1 10 . 1 1 68 68 GLN N N 68 118.847 118.847 118.015 0.832 25177 4042 1 10 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.126 -0.009 25177 4043 1 10 . 1 1 68 68 GLN C C 68 177.110 177.110 177.480 -0.370 25177 4044 1 10 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.547 -1.093 25177 4045 1 10 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.417 -0.069 25177 4046 1 10 . 1 1 68 68 GLN H H 68 7.906 7.906 7.948 -0.042 25177 4047 1 10 . 1 1 69 69 ALA N N 69 122.260 122.260 119.059 3.201 25177 4048 1 10 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.179 -0.076 25177 4049 1 10 . 1 1 69 69 ALA C C 69 178.367 178.367 178.103 0.264 25177 4050 1 10 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.437 0.245 25177 4051 1 10 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.425 -0.229 25177 4052 1 10 . 1 1 69 69 ALA H H 69 7.648 7.648 7.514 0.134 25177 4053 1 10 . 1 1 70 70 TYR N N 70 117.039 117.039 117.582 -0.543 25177 4054 1 10 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.525 -0.115 25177 4055 1 10 . 1 1 70 70 TYR C C 70 176.061 176.061 177.024 -0.963 25177 4056 1 10 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.638 -0.182 25177 4057 1 10 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.794 -1.583 25177 4058 1 10 . 1 1 70 70 TYR H H 70 7.541 7.541 7.252 0.289 25177 4059 1 10 . 1 1 71 71 ARG N N 71 120.503 120.503 118.214 2.289 25177 4060 1 10 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.577 -0.333 25177 4061 1 10 . 1 1 71 71 ARG C C 71 175.759 175.759 175.580 0.179 25177 4062 1 10 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.234 -0.214 25177 4063 1 10 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.896 -0.267 25177 4064 1 10 . 1 1 71 71 ARG H H 71 7.541 7.541 7.806 -0.265 25177 4065 1 10 . 1 1 72 72 HIS N N 72 120.119 120.119 115.602 4.517 25177 4066 1 10 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.595 0.069 25177 4067 1 10 . 1 1 72 72 HIS C C 72 173.738 173.738 173.163 0.575 25177 4068 1 10 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.220 -0.827 25177 4069 1 10 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.983 -0.222 25177 4070 1 10 . 1 1 72 72 HIS H H 72 8.126 8.126 8.161 -0.035 25177 4071 1 11 . 1 1 3 3 SER HA H 3 4.362 4.362 4.770 -0.408 25177 4072 1 11 . 1 1 3 3 SER C C 3 176.187 176.187 174.712 1.475 25177 4073 1 11 . 1 1 3 3 SER CA C 3 55.064 55.064 58.393 -3.329 25177 4074 1 11 . 1 1 3 3 SER CB C 3 61.154 61.154 63.123 -1.970 25177 4075 1 11 . 1 1 4 4 TRP N N 4 122.487 122.487 124.547 -2.060 25177 4076 1 11 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.417 0.115 25177 4077 1 11 . 1 1 4 4 TRP C C 4 177.481 177.481 175.973 1.508 25177 4078 1 11 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.726 -1.185 25177 4079 1 11 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.931 -0.374 25177 4080 1 11 . 1 1 4 4 TRP H H 4 8.287 8.287 7.956 0.331 25177 4081 1 11 . 1 1 5 5 ALA N N 5 121.306 121.306 121.172 0.134 25177 4082 1 11 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.967 -0.085 25177 4083 1 11 . 1 1 5 5 ALA C C 5 180.462 180.462 179.527 0.935 25177 4084 1 11 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.874 -0.476 25177 4085 1 11 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.766 0.263 25177 4086 1 11 . 1 1 5 5 ALA H H 5 8.287 8.287 8.510 -0.223 25177 4087 1 11 . 1 1 6 6 GLU N N 6 118.841 118.841 119.103 -0.262 25177 4088 1 11 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.052 0.010 25177 4089 1 11 . 1 1 6 6 GLU C C 6 179.425 179.425 178.930 0.495 25177 4090 1 11 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.976 -0.734 25177 4091 1 11 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.495 -0.279 25177 4092 1 11 . 1 1 6 6 GLU H H 6 7.805 7.805 8.488 -0.683 25177 4093 1 11 . 1 1 7 7 PHE N N 7 120.314 120.314 119.161 1.153 25177 4094 1 11 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.288 0.077 25177 4095 1 11 . 1 1 7 7 PHE C C 7 178.168 178.168 177.956 0.212 25177 4096 1 11 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.655 -0.255 25177 4097 1 11 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.632 0.542 25177 4098 1 11 . 1 1 7 7 PHE H H 7 7.950 7.950 7.709 0.241 25177 4099 1 11 . 1 1 8 8 LYS N N 8 119.370 119.370 119.423 -0.053 25177 4100 1 11 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.838 -0.031 25177 4101 1 11 . 1 1 8 8 LYS C C 8 179.501 179.501 179.306 0.195 25177 4102 1 11 . 1 1 8 8 LYS CA C 8 60.102 60.102 58.947 1.155 25177 4103 1 11 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.609 0.184 25177 4104 1 11 . 1 1 8 8 LYS H H 8 8.214 8.214 8.274 -0.060 25177 4105 1 11 . 1 1 9 9 GLN N N 9 120.219 120.219 119.250 0.969 25177 4106 1 11 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.977 0.098 25177 4107 1 11 . 1 1 9 9 GLN C C 9 178.818 178.818 178.574 0.244 25177 4108 1 11 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.444 -0.847 25177 4109 1 11 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.755 -0.654 25177 4110 1 11 . 1 1 9 9 GLN H H 9 7.859 7.859 8.196 -0.337 25177 4111 1 11 . 1 1 10 10 ARG N N 10 122.005 122.005 119.785 2.220 25177 4112 1 11 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.949 0.104 25177 4113 1 11 . 1 1 10 10 ARG C C 10 179.057 179.057 178.910 0.147 25177 4114 1 11 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.063 0.012 25177 4115 1 11 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.559 0.976 25177 4116 1 11 . 1 1 10 10 ARG H H 10 8.135 8.135 8.044 0.091 25177 4117 1 11 . 1 1 11 11 LEU N N 11 120.796 120.796 119.784 1.012 25177 4118 1 11 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.857 -0.216 25177 4119 1 11 . 1 1 11 11 LEU C C 11 177.921 177.921 178.428 -0.507 25177 4120 1 11 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.854 -0.628 25177 4121 1 11 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.444 -0.840 25177 4122 1 11 . 1 1 11 11 LEU H H 11 8.066 8.066 8.108 -0.042 25177 4123 1 11 . 1 1 12 12 ALA N N 12 121.596 121.596 121.581 0.015 25177 4124 1 11 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.876 0.137 25177 4125 1 11 . 1 1 12 12 ALA C C 12 180.299 180.299 179.462 0.837 25177 4126 1 11 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.278 -0.223 25177 4127 1 11 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.887 -0.457 25177 4128 1 11 . 1 1 12 12 ALA H H 12 7.670 7.670 8.106 -0.436 25177 4129 1 11 . 1 1 13 13 ALA N N 13 121.486 121.486 121.371 0.115 25177 4130 1 11 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.972 0.190 25177 4131 1 11 . 1 1 13 13 ALA C C 13 180.732 180.732 179.425 1.307 25177 4132 1 11 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.823 0.058 25177 4133 1 11 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.455 -0.639 25177 4134 1 11 . 1 1 13 13 ALA H H 13 7.601 7.601 7.825 -0.224 25177 4135 1 11 . 1 1 14 14 ILE N N 14 121.912 121.912 118.547 3.365 25177 4136 1 11 . 1 1 14 14 ILE HA H 14 3.674 3.674 2.806 0.868 25177 4137 1 11 . 1 1 14 14 ILE C C 14 177.883 177.883 177.806 0.077 25177 4138 1 11 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.131 0.690 25177 4139 1 11 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.379 0.699 25177 4140 1 11 . 1 1 14 14 ILE H H 14 7.843 7.843 8.071 -0.228 25177 4141 1 11 . 1 1 15 15 LYS N N 15 121.705 121.705 120.338 1.367 25177 4142 1 11 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.865 -0.028 25177 4143 1 11 . 1 1 15 15 LYS C C 15 178.896 178.896 178.917 -0.021 25177 4144 1 11 . 1 1 15 15 LYS CA C 15 60.438 60.438 59.975 0.463 25177 4145 1 11 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.401 -0.284 25177 4146 1 11 . 1 1 15 15 LYS H H 15 8.439 8.439 8.091 0.348 25177 4147 1 11 . 1 1 16 16 THR N N 16 115.218 115.218 116.690 -1.472 25177 4148 1 11 . 1 1 16 16 THR HA H 16 3.919 3.919 3.858 0.061 25177 4149 1 11 . 1 1 16 16 THR C C 16 176.872 176.872 176.846 0.026 25177 4150 1 11 . 1 1 16 16 THR CA C 16 66.297 66.297 67.199 -0.902 25177 4151 1 11 . 1 1 16 16 THR CB C 16 69.045 69.045 68.584 0.461 25177 4152 1 11 . 1 1 16 16 THR H H 16 7.936 7.936 8.052 -0.116 25177 4153 1 11 . 1 1 17 17 ARG N N 17 122.508 122.508 121.039 1.469 25177 4154 1 11 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.054 -0.035 25177 4155 1 11 . 1 1 17 17 ARG C C 17 178.281 178.281 178.637 -0.356 25177 4156 1 11 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.558 -0.588 25177 4157 1 11 . 1 1 17 17 ARG CB C 17 30.138 30.138 30.142 -0.004 25177 4158 1 11 . 1 1 17 17 ARG H H 17 7.781 7.781 7.965 -0.184 25177 4159 1 11 . 1 1 18 18 CYS N N 18 119.296 119.296 117.575 1.721 25177 4160 1 11 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.204 -0.730 25177 4161 1 11 . 1 1 18 18 CYS C C 18 176.151 176.151 176.216 -0.065 25177 4162 1 11 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.580 -0.225 25177 4163 1 11 . 1 1 18 18 CYS CB C 18 26.572 26.572 26.703 -0.131 25177 4164 1 11 . 1 1 18 18 CYS H H 18 8.158 8.158 7.613 0.545 25177 4165 1 11 . 1 1 19 19 GLN N N 19 116.825 116.825 118.140 -1.315 25177 4166 1 11 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.212 -0.172 25177 4167 1 11 . 1 1 19 19 GLN C C 19 176.178 176.178 177.499 -1.321 25177 4168 1 11 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.349 -0.970 25177 4169 1 11 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.192 -0.908 25177 4170 1 11 . 1 1 19 19 GLN H H 19 7.523 7.523 7.825 -0.302 25177 4171 1 11 . 1 1 20 20 ALA N N 20 121.265 121.265 119.864 1.401 25177 4172 1 11 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.216 0.145 25177 4173 1 11 . 1 1 20 20 ALA C C 20 177.491 177.491 178.106 -0.615 25177 4174 1 11 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.853 -0.983 25177 4175 1 11 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.581 -0.390 25177 4176 1 11 . 1 1 20 20 ALA H H 20 7.322 7.322 7.755 -0.433 25177 4177 1 11 . 1 1 21 21 LEU N N 21 120.570 120.570 116.103 4.467 25177 4178 1 11 . 1 1 21 21 LEU HA H 21 4.030 4.030 4.017 0.013 25177 4179 1 11 . 1 1 21 21 LEU C C 21 177.889 177.889 176.804 1.085 25177 4180 1 11 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.399 0.561 25177 4181 1 11 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.332 3.156 25177 4182 1 11 . 1 1 21 21 LEU H H 21 7.200 7.200 8.078 -0.878 25177 4183 1 11 . 1 1 22 22 GLY N N 22 109.881 109.881 104.077 5.804 25177 4184 1 11 . 1 1 22 22 GLY C C 22 174.896 174.896 175.571 -0.675 25177 4185 1 11 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.876 0.686 25177 4186 1 11 . 1 1 22 22 GLY H H 22 8.454 8.454 8.030 0.424 25177 4187 1 11 . 1 1 23 23 GLY N N 23 107.014 107.014 109.745 -2.731 25177 4188 1 11 . 1 1 23 23 GLY C C 23 174.347 174.347 174.322 0.025 25177 4189 1 11 . 1 1 23 23 GLY CA C 23 45.514 45.514 46.442 -0.928 25177 4190 1 11 . 1 1 23 23 GLY H H 23 7.759 7.759 8.417 -0.658 25177 4191 1 11 . 1 1 24 24 SER N N 24 116.572 116.572 113.853 2.719 25177 4192 1 11 . 1 1 24 24 SER HA H 24 4.519 4.519 4.485 0.034 25177 4193 1 11 . 1 1 24 24 SER C C 24 175.184 175.184 173.603 1.581 25177 4194 1 11 . 1 1 24 24 SER CA C 24 57.853 57.853 58.056 -0.203 25177 4195 1 11 . 1 1 24 24 SER CB C 24 64.487 64.487 64.016 0.471 25177 4196 1 11 . 1 1 24 24 SER H H 24 8.096 8.096 7.700 0.396 25177 4197 1 11 . 1 1 25 25 GLU N N 25 126.083 126.083 127.137 -1.054 25177 4198 1 11 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.051 -0.198 25177 4199 1 11 . 1 1 25 25 GLU C C 25 178.773 178.773 177.013 1.760 25177 4200 1 11 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.947 1.026 25177 4201 1 11 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.420 -0.238 25177 4202 1 11 . 1 1 25 25 GLU H H 25 9.042 9.042 8.859 0.183 25177 4203 1 11 . 1 1 26 26 ALA N N 26 121.614 121.614 121.370 0.244 25177 4204 1 11 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.269 -0.122 25177 4205 1 11 . 1 1 26 26 ALA C C 26 180.987 180.987 179.463 1.524 25177 4206 1 11 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.616 1.375 25177 4207 1 11 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.477 -0.378 25177 4208 1 11 . 1 1 26 26 ALA H H 26 8.514 8.514 7.984 0.530 25177 4209 1 11 . 1 1 27 27 GLU N N 27 119.564 119.564 120.171 -0.607 25177 4210 1 11 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.653 0.458 25177 4211 1 11 . 1 1 27 27 GLU C C 27 179.198 179.198 178.116 1.082 25177 4212 1 11 . 1 1 27 27 GLU CA C 27 58.826 58.826 58.949 -0.123 25177 4213 1 11 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.913 1.045 25177 4214 1 11 . 1 1 27 27 GLU H H 27 7.757 7.757 7.671 0.086 25177 4215 1 11 . 1 1 28 28 CYS N N 28 120.060 120.060 117.097 2.963 25177 4216 1 11 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.326 -0.195 25177 4217 1 11 . 1 1 28 28 CYS C C 28 176.521 176.521 176.865 -0.344 25177 4218 1 11 . 1 1 28 28 CYS CA C 28 63.711 63.711 62.599 1.112 25177 4219 1 11 . 1 1 28 28 CYS CB C 28 26.601 26.601 25.808 0.793 25177 4220 1 11 . 1 1 28 28 CYS H H 28 8.145 8.145 7.562 0.583 25177 4221 1 11 . 1 1 29 29 ALA N N 29 122.930 122.930 122.082 0.848 25177 4222 1 11 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.942 0.268 25177 4223 1 11 . 1 1 29 29 ALA C C 29 179.659 179.659 178.988 0.671 25177 4224 1 11 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.233 -0.339 25177 4225 1 11 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.882 -0.181 25177 4226 1 11 . 1 1 29 29 ALA H H 29 8.342 8.342 7.834 0.508 25177 4227 1 11 . 1 1 30 30 ALA N N 30 121.235 121.235 121.069 0.166 25177 4228 1 11 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.854 0.371 25177 4229 1 11 . 1 1 30 30 ALA C C 30 180.452 180.452 179.349 1.103 25177 4230 1 11 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.611 0.349 25177 4231 1 11 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.101 -0.351 25177 4232 1 11 . 1 1 30 30 ALA H H 30 7.676 7.676 7.452 0.224 25177 4233 1 11 . 1 1 31 31 PHE N N 31 121.297 121.297 117.460 3.837 25177 4234 1 11 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.070 0.271 25177 4235 1 11 . 1 1 31 31 PHE C C 31 177.355 177.355 178.079 -0.724 25177 4236 1 11 . 1 1 31 31 PHE CA C 31 61.019 61.019 59.885 1.134 25177 4237 1 11 . 1 1 31 31 PHE CB C 31 39.314 39.314 37.914 1.399 25177 4238 1 11 . 1 1 31 31 PHE H H 31 8.086 8.086 7.766 0.320 25177 4239 1 11 . 1 1 32 32 GLU N N 32 119.861 119.861 120.226 -0.365 25177 4240 1 11 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.823 -0.039 25177 4241 1 11 . 1 1 32 32 GLU C C 32 178.906 178.906 179.069 -0.163 25177 4242 1 11 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.193 -0.249 25177 4243 1 11 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.376 -0.433 25177 4244 1 11 . 1 1 32 32 GLU H H 32 8.417 8.417 8.256 0.161 25177 4245 1 11 . 1 1 33 33 LYS N N 33 118.133 118.133 119.469 -1.336 25177 4246 1 11 . 1 1 33 33 LYS HA H 33 4.044 4.044 4.009 0.035 25177 4247 1 11 . 1 1 33 33 LYS C C 33 179.471 179.471 179.108 0.363 25177 4248 1 11 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.667 -0.271 25177 4249 1 11 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.378 -0.147 25177 4250 1 11 . 1 1 33 33 LYS H H 33 7.491 7.491 7.924 -0.433 25177 4251 1 11 . 1 1 34 34 GLU N N 34 121.763 121.763 119.724 2.039 25177 4252 1 11 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.961 0.156 25177 4253 1 11 . 1 1 34 34 GLU C C 34 179.955 179.955 179.241 0.714 25177 4254 1 11 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.404 0.112 25177 4255 1 11 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.345 0.118 25177 4256 1 11 . 1 1 34 34 GLU H H 34 7.699 7.699 8.187 -0.488 25177 4257 1 11 . 1 1 35 35 ILE N N 35 121.167 121.167 119.366 1.801 25177 4258 1 11 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.713 0.070 25177 4259 1 11 . 1 1 35 35 ILE C C 35 177.219 177.219 178.083 -0.864 25177 4260 1 11 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.827 0.134 25177 4261 1 11 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.628 1.028 25177 4262 1 11 . 1 1 35 35 ILE H H 35 8.120 8.120 8.478 -0.358 25177 4263 1 11 . 1 1 36 36 ALA N N 36 124.132 124.132 122.592 1.540 25177 4264 1 11 . 1 1 36 36 ALA HA H 36 4.346 4.346 3.962 0.384 25177 4265 1 11 . 1 1 36 36 ALA C C 36 180.915 180.915 179.675 1.240 25177 4266 1 11 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.463 -0.459 25177 4267 1 11 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.014 -0.254 25177 4268 1 11 . 1 1 36 36 ALA H H 36 8.161 8.161 7.987 0.174 25177 4269 1 11 . 1 1 37 37 ALA N N 37 121.980 121.980 120.488 1.492 25177 4270 1 11 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.091 0.099 25177 4271 1 11 . 1 1 37 37 ALA C C 37 180.126 180.126 179.558 0.568 25177 4272 1 11 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.692 0.348 25177 4273 1 11 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.575 -0.975 25177 4274 1 11 . 1 1 37 37 ALA H H 37 7.887 7.887 8.072 -0.185 25177 4275 1 11 . 1 1 38 38 PHE N N 38 121.517 121.517 119.535 1.982 25177 4276 1 11 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.240 -0.047 25177 4277 1 11 . 1 1 38 38 PHE C C 38 177.044 177.044 177.892 -0.848 25177 4278 1 11 . 1 1 38 38 PHE CA C 38 61.485 61.485 61.068 0.417 25177 4279 1 11 . 1 1 38 38 PHE CB C 38 39.077 39.077 39.013 0.064 25177 4280 1 11 . 1 1 38 38 PHE H H 38 7.751 7.751 8.368 -0.617 25177 4281 1 11 . 1 1 39 39 GLU N N 39 118.815 118.815 118.525 0.290 25177 4282 1 11 . 1 1 39 39 GLU HA H 39 3.638 3.638 4.028 -0.390 25177 4283 1 11 . 1 1 39 39 GLU C C 39 179.591 179.591 178.881 0.710 25177 4284 1 11 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.555 0.866 25177 4285 1 11 . 1 1 39 39 GLU CB C 39 29.862 29.862 28.727 1.135 25177 4286 1 11 . 1 1 39 39 GLU H H 39 8.746 8.746 8.857 -0.111 25177 4287 1 11 . 1 1 40 40 SER N N 40 115.384 115.384 115.145 0.239 25177 4288 1 11 . 1 1 40 40 SER HA H 40 4.176 4.176 4.224 -0.048 25177 4289 1 11 . 1 1 40 40 SER C C 40 177.354 177.354 176.737 0.617 25177 4290 1 11 . 1 1 40 40 SER CA C 40 61.771 61.771 61.184 0.587 25177 4291 1 11 . 1 1 40 40 SER CB C 40 62.786 62.786 63.069 -0.283 25177 4292 1 11 . 1 1 40 40 SER H H 40 8.171 8.171 8.051 0.120 25177 4293 1 11 . 1 1 41 41 GLU N N 41 123.650 123.650 120.385 3.265 25177 4294 1 11 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.091 -0.018 25177 4295 1 11 . 1 1 41 41 GLU C C 41 179.360 179.360 178.384 0.976 25177 4296 1 11 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.490 1.020 25177 4297 1 11 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.068 -0.547 25177 4298 1 11 . 1 1 41 41 GLU H H 41 7.819 7.819 7.974 -0.155 25177 4299 1 11 . 1 1 42 42 LEU N N 42 119.352 119.352 118.587 0.765 25177 4300 1 11 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.126 -0.359 25177 4301 1 11 . 1 1 42 42 LEU C C 42 179.152 179.152 178.519 0.633 25177 4302 1 11 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.238 -0.274 25177 4303 1 11 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.372 -0.880 25177 4304 1 11 . 1 1 42 42 LEU H H 42 7.816 7.816 8.037 -0.221 25177 4305 1 11 . 1 1 43 43 GLN N N 43 118.423 118.423 118.917 -0.494 25177 4306 1 11 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.140 -0.182 25177 4307 1 11 . 1 1 43 43 GLN C C 43 177.081 177.081 177.162 -0.081 25177 4308 1 11 . 1 1 43 43 GLN CA C 43 58.165 58.165 58.217 -0.051 25177 4309 1 11 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.038 0.169 25177 4310 1 11 . 1 1 43 43 GLN H H 43 7.785 7.785 8.229 -0.444 25177 4311 1 11 . 1 1 44 44 ALA N N 44 120.300 120.300 121.120 -0.820 25177 4312 1 11 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.150 0.011 25177 4313 1 11 . 1 1 44 44 ALA C C 44 177.823 177.823 178.047 -0.224 25177 4314 1 11 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.101 0.055 25177 4315 1 11 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.360 0.065 25177 4316 1 11 . 1 1 44 44 ALA H H 44 7.380 7.380 7.797 -0.417 25177 4317 1 11 . 1 1 45 45 TYR N N 45 118.887 118.887 118.346 0.541 25177 4318 1 11 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.272 0.101 25177 4319 1 11 . 1 1 45 45 TYR C C 45 176.018 176.018 176.479 -0.461 25177 4320 1 11 . 1 1 45 45 TYR CA C 45 58.749 58.749 58.639 0.111 25177 4321 1 11 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.721 0.076 25177 4322 1 11 . 1 1 45 45 TYR H H 45 7.438 7.438 7.134 0.304 25177 4323 1 11 . 1 1 46 46 LYS N N 46 124.177 124.177 119.560 4.617 25177 4324 1 11 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.017 0.169 25177 4325 1 11 . 1 1 46 46 LYS C C 46 176.900 176.900 175.897 1.003 25177 4326 1 11 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.759 -0.041 25177 4327 1 11 . 1 1 46 46 LYS CB C 46 32.774 32.774 31.177 1.597 25177 4328 1 11 . 1 1 46 46 LYS H H 46 7.884 7.884 8.183 -0.299 25177 4329 1 11 . 1 1 47 47 GLY N N 47 109.590 109.590 108.170 1.420 25177 4330 1 11 . 1 1 47 47 GLY C C 47 174.029 174.029 175.872 -1.843 25177 4331 1 11 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.479 1.118 25177 4332 1 11 . 1 1 47 47 GLY H H 47 7.662 7.662 8.590 -0.928 25177 4333 1 11 . 1 1 48 48 LYS N N 48 120.521 120.521 123.559 -3.038 25177 4334 1 11 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.041 -0.120 25177 4335 1 11 . 1 1 48 48 LYS C C 48 177.262 177.262 177.520 -0.258 25177 4336 1 11 . 1 1 48 48 LYS CA C 48 56.345 56.345 58.070 -1.725 25177 4337 1 11 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.725 0.153 25177 4338 1 11 . 1 1 48 48 LYS H H 48 8.049 8.049 8.837 -0.788 25177 4339 1 11 . 1 1 49 49 GLY N N 49 110.678 110.678 103.656 7.022 25177 4340 1 11 . 1 1 49 49 GLY C C 49 173.842 173.842 173.559 0.283 25177 4341 1 11 . 1 1 49 49 GLY CA C 49 45.585 45.585 44.725 0.860 25177 4342 1 11 . 1 1 49 49 GLY H H 49 8.604 8.604 8.016 0.588 25177 4343 1 11 . 1 1 50 50 ASN N N 50 120.298 120.298 120.123 0.175 25177 4344 1 11 . 1 1 50 50 ASN HA H 50 4.956 4.956 5.322 -0.366 25177 4345 1 11 . 1 1 50 50 ASN C C 50 177.904 177.904 174.366 3.538 25177 4346 1 11 . 1 1 50 50 ASN CA C 50 51.649 51.649 50.379 1.270 25177 4347 1 11 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.572 0.371 25177 4348 1 11 . 1 1 50 50 ASN H H 50 8.045 8.045 7.696 0.349 25177 4349 1 11 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.295 -0.023 25177 4350 1 11 . 1 1 51 51 PRO C C 51 178.931 178.931 178.003 0.928 25177 4351 1 11 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.275 0.834 25177 4352 1 11 . 1 1 51 51 PRO CB C 51 31.834 31.834 31.881 -0.047 25177 4353 1 11 . 1 1 52 52 GLU N N 52 119.291 119.291 119.362 -0.071 25177 4354 1 11 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.956 0.103 25177 4355 1 11 . 1 1 52 52 GLU C C 52 178.805 178.805 178.273 0.532 25177 4356 1 11 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.080 0.094 25177 4357 1 11 . 1 1 52 52 GLU CB C 52 28.685 28.685 27.471 1.214 25177 4358 1 11 . 1 1 52 52 GLU H H 52 8.344 8.344 8.566 -0.222 25177 4359 1 11 . 1 1 53 53 VAL N N 53 120.013 120.013 121.015 -1.002 25177 4360 1 11 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.835 -0.333 25177 4361 1 11 . 1 1 53 53 VAL C C 53 177.587 177.587 177.858 -0.271 25177 4362 1 11 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.741 0.205 25177 4363 1 11 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.352 0.123 25177 4364 1 11 . 1 1 53 53 VAL H H 53 7.304 7.304 7.557 -0.253 25177 4365 1 11 . 1 1 54 54 GLU N N 54 119.848 119.848 119.728 0.120 25177 4366 1 11 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.064 -0.016 25177 4367 1 11 . 1 1 54 54 GLU C C 54 178.910 178.910 178.585 0.325 25177 4368 1 11 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.610 -0.753 25177 4369 1 11 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.071 -0.372 25177 4370 1 11 . 1 1 54 54 GLU H H 54 7.820 7.820 8.553 -0.734 25177 4371 1 11 . 1 1 55 55 ALA N N 55 121.463 121.463 123.258 -1.795 25177 4372 1 11 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.212 -0.067 25177 4373 1 11 . 1 1 55 55 ALA C C 55 180.920 180.920 179.814 1.106 25177 4374 1 11 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.992 0.267 25177 4375 1 11 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.492 -0.693 25177 4376 1 11 . 1 1 55 55 ALA H H 55 7.701 7.701 8.197 -0.496 25177 4377 1 11 . 1 1 56 56 LEU N N 56 120.343 120.343 120.266 0.077 25177 4378 1 11 . 1 1 56 56 LEU HA H 56 4.145 4.145 4.005 0.140 25177 4379 1 11 . 1 1 56 56 LEU C C 56 178.721 178.721 179.045 -0.324 25177 4380 1 11 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.128 -0.229 25177 4381 1 11 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.372 0.826 25177 4382 1 11 . 1 1 56 56 LEU H H 56 7.656 7.656 7.882 -0.226 25177 4383 1 11 . 1 1 57 57 ARG N N 57 119.950 119.950 119.073 0.877 25177 4384 1 11 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.982 -0.161 25177 4385 1 11 . 1 1 57 57 ARG C C 57 179.667 179.667 178.467 1.200 25177 4386 1 11 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.405 0.782 25177 4387 1 11 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.965 -0.780 25177 4388 1 11 . 1 1 57 57 ARG H H 57 8.350 8.350 8.497 -0.147 25177 4389 1 11 . 1 1 58 58 LYS N N 58 120.501 120.501 119.856 0.645 25177 4390 1 11 . 1 1 58 58 LYS HA H 58 4.030 4.030 3.965 0.065 25177 4391 1 11 . 1 1 58 58 LYS C C 58 179.448 179.448 179.000 0.448 25177 4392 1 11 . 1 1 58 58 LYS CA C 58 59.578 59.578 60.044 -0.466 25177 4393 1 11 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.259 0.110 25177 4394 1 11 . 1 1 58 58 LYS H H 58 7.989 7.989 7.977 0.012 25177 4395 1 11 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.899 0.245 25177 4396 1 11 . 1 1 59 59 GLU C C 59 178.877 178.877 178.928 -0.051 25177 4397 1 11 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.682 -0.263 25177 4398 1 11 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.534 -0.301 25177 4399 1 11 . 1 1 59 59 GLU H H 59 7.891 7.891 8.127 -0.236 25177 4400 1 11 . 1 1 60 60 ALA N N 60 122.069 122.069 121.756 0.313 25177 4401 1 11 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.984 -0.048 25177 4402 1 11 . 1 1 60 60 ALA C C 60 178.379 178.379 179.597 -1.218 25177 4403 1 11 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.185 -0.291 25177 4404 1 11 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.159 -0.631 25177 4405 1 11 . 1 1 60 60 ALA H H 60 8.480 8.480 8.049 0.431 25177 4406 1 11 . 1 1 61 61 ALA N N 61 121.446 121.446 120.491 0.955 25177 4407 1 11 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.943 0.202 25177 4408 1 11 . 1 1 61 61 ALA C C 61 178.579 178.579 179.481 -0.902 25177 4409 1 11 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.986 0.454 25177 4410 1 11 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.245 -0.079 25177 4411 1 11 . 1 1 61 61 ALA H H 61 7.702 7.702 8.109 -0.407 25177 4412 1 11 . 1 1 62 62 ALA N N 62 119.705 119.705 121.867 -2.162 25177 4413 1 11 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.000 0.032 25177 4414 1 11 . 1 1 62 62 ALA C C 62 180.829 180.829 179.676 1.153 25177 4415 1 11 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.871 -0.076 25177 4416 1 11 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.433 -0.761 25177 4417 1 11 . 1 1 62 62 ALA H H 62 7.818 7.818 7.774 0.044 25177 4418 1 11 . 1 1 63 63 ILE N N 63 121.021 121.021 119.527 1.494 25177 4419 1 11 . 1 1 63 63 ILE HA H 63 3.851 3.851 4.051 -0.200 25177 4420 1 11 . 1 1 63 63 ILE C C 63 178.076 178.076 178.038 0.038 25177 4421 1 11 . 1 1 63 63 ILE CA C 63 64.688 64.688 64.956 -0.268 25177 4422 1 11 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.504 0.451 25177 4423 1 11 . 1 1 63 63 ILE H H 63 7.876 7.876 8.125 -0.249 25177 4424 1 11 . 1 1 64 64 ARG N N 64 121.460 121.460 120.455 1.005 25177 4425 1 11 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.899 -0.008 25177 4426 1 11 . 1 1 64 64 ARG C C 64 178.617 178.617 177.959 0.658 25177 4427 1 11 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.130 1.198 25177 4428 1 11 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.421 -0.099 25177 4429 1 11 . 1 1 64 64 ARG H H 64 8.023 8.023 8.147 -0.124 25177 4430 1 11 . 1 1 65 65 ASP N N 65 119.343 119.343 119.117 0.226 25177 4431 1 11 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.336 0.049 25177 4432 1 11 . 1 1 65 65 ASP C C 65 178.827 178.827 178.691 0.136 25177 4433 1 11 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.248 0.065 25177 4434 1 11 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.247 0.116 25177 4435 1 11 . 1 1 65 65 ASP H H 65 8.046 8.046 8.175 -0.129 25177 4436 1 11 . 1 1 66 66 GLU N N 66 121.291 121.291 120.252 1.039 25177 4437 1 11 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.595 0.443 25177 4438 1 11 . 1 1 66 66 GLU C C 66 178.410 178.410 178.536 -0.126 25177 4439 1 11 . 1 1 66 66 GLU CA C 66 58.893 58.893 58.906 -0.013 25177 4440 1 11 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.355 0.121 25177 4441 1 11 . 1 1 66 66 GLU H H 66 7.931 7.931 7.930 0.001 25177 4442 1 11 . 1 1 67 67 CYS N N 67 117.825 117.825 117.508 0.317 25177 4443 1 11 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.028 0.171 25177 4444 1 11 . 1 1 67 67 CYS C C 67 176.095 176.095 176.999 -0.904 25177 4445 1 11 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.210 -2.725 25177 4446 1 11 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.572 -0.561 25177 4447 1 11 . 1 1 67 67 CYS H H 67 8.009 8.009 7.961 0.048 25177 4448 1 11 . 1 1 68 68 GLN N N 68 118.847 118.847 118.120 0.727 25177 4449 1 11 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.208 -0.091 25177 4450 1 11 . 1 1 68 68 GLN C C 68 177.110 177.110 177.388 -0.278 25177 4451 1 11 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.233 -0.779 25177 4452 1 11 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.778 -0.430 25177 4453 1 11 . 1 1 68 68 GLN H H 68 7.906 7.906 7.939 -0.033 25177 4454 1 11 . 1 1 69 69 ALA N N 69 122.260 122.260 119.204 3.056 25177 4455 1 11 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.296 -0.193 25177 4456 1 11 . 1 1 69 69 ALA C C 69 178.367 178.367 177.591 0.776 25177 4457 1 11 . 1 1 69 69 ALA CA C 69 53.682 53.682 52.773 0.909 25177 4458 1 11 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.780 -0.584 25177 4459 1 11 . 1 1 69 69 ALA H H 69 7.648 7.648 7.731 -0.083 25177 4460 1 11 . 1 1 70 70 TYR N N 70 117.039 117.039 118.485 -1.446 25177 4461 1 11 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.510 -0.100 25177 4462 1 11 . 1 1 70 70 TYR C C 70 176.061 176.061 177.630 -1.569 25177 4463 1 11 . 1 1 70 70 TYR CA C 70 58.456 58.456 59.427 -0.971 25177 4464 1 11 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.491 -1.280 25177 4465 1 11 . 1 1 70 70 TYR H H 70 7.541 7.541 7.351 0.190 25177 4466 1 11 . 1 1 71 71 ARG N N 71 120.503 120.503 117.218 3.285 25177 4467 1 11 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.518 -0.274 25177 4468 1 11 . 1 1 71 71 ARG C C 71 175.759 175.759 176.915 -1.156 25177 4469 1 11 . 1 1 71 71 ARG CA C 71 56.020 56.020 57.018 -0.998 25177 4470 1 11 . 1 1 71 71 ARG CB C 71 30.629 30.629 31.248 -0.620 25177 4471 1 11 . 1 1 71 71 ARG H H 71 7.541 7.541 7.850 -0.309 25177 4472 1 11 . 1 1 72 72 HIS N N 72 120.119 120.119 119.618 0.501 25177 4473 1 11 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.555 0.109 25177 4474 1 11 . 1 1 72 72 HIS C C 72 173.738 173.738 173.839 -0.101 25177 4475 1 11 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.195 -0.802 25177 4476 1 11 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.591 0.170 25177 4477 1 11 . 1 1 72 72 HIS H H 72 8.126 8.126 7.936 0.190 25177 4478 1 12 . 1 1 3 3 SER HA H 3 4.362 4.362 4.693 -0.331 25177 4479 1 12 . 1 1 3 3 SER C C 3 176.187 176.187 175.433 0.754 25177 4480 1 12 . 1 1 3 3 SER CA C 3 55.064 55.064 57.252 -2.188 25177 4481 1 12 . 1 1 3 3 SER CB C 3 61.154 61.154 62.893 -1.739 25177 4482 1 12 . 1 1 4 4 TRP N N 4 122.487 122.487 124.975 -2.488 25177 4483 1 12 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.397 0.135 25177 4484 1 12 . 1 1 4 4 TRP C C 4 177.481 177.481 176.352 1.129 25177 4485 1 12 . 1 1 4 4 TRP CA C 4 59.541 59.541 61.632 -2.091 25177 4486 1 12 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.889 -0.332 25177 4487 1 12 . 1 1 4 4 TRP H H 4 8.287 8.287 8.013 0.274 25177 4488 1 12 . 1 1 5 5 ALA N N 5 121.306 121.306 121.225 0.081 25177 4489 1 12 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.983 -0.101 25177 4490 1 12 . 1 1 5 5 ALA C C 5 180.462 180.462 179.622 0.840 25177 4491 1 12 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.781 -0.383 25177 4492 1 12 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.815 0.214 25177 4493 1 12 . 1 1 5 5 ALA H H 5 8.287 8.287 8.689 -0.402 25177 4494 1 12 . 1 1 6 6 GLU N N 6 118.841 118.841 118.949 -0.108 25177 4495 1 12 . 1 1 6 6 GLU HA H 6 4.062 4.062 3.991 0.071 25177 4496 1 12 . 1 1 6 6 GLU C C 6 179.425 179.425 179.116 0.309 25177 4497 1 12 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.196 0.046 25177 4498 1 12 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.496 -0.279 25177 4499 1 12 . 1 1 6 6 GLU H H 6 7.805 7.805 8.244 -0.439 25177 4500 1 12 . 1 1 7 7 PHE N N 7 120.314 120.314 119.180 1.134 25177 4501 1 12 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.192 0.173 25177 4502 1 12 . 1 1 7 7 PHE C C 7 178.168 178.168 177.747 0.421 25177 4503 1 12 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.529 -0.129 25177 4504 1 12 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.679 0.495 25177 4505 1 12 . 1 1 7 7 PHE H H 7 7.950 7.950 7.724 0.226 25177 4506 1 12 . 1 1 8 8 LYS N N 8 119.370 119.370 119.450 -0.080 25177 4507 1 12 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.771 0.036 25177 4508 1 12 . 1 1 8 8 LYS C C 8 179.501 179.501 178.827 0.674 25177 4509 1 12 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.713 0.389 25177 4510 1 12 . 1 1 8 8 LYS CB C 8 31.793 31.793 32.150 -0.357 25177 4511 1 12 . 1 1 8 8 LYS H H 8 8.214 8.214 8.219 -0.005 25177 4512 1 12 . 1 1 9 9 GLN N N 9 120.219 120.219 118.815 1.404 25177 4513 1 12 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.953 0.122 25177 4514 1 12 . 1 1 9 9 GLN C C 9 178.818 178.818 178.524 0.294 25177 4515 1 12 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.381 -0.783 25177 4516 1 12 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.796 -0.696 25177 4517 1 12 . 1 1 9 9 GLN H H 9 7.859 7.859 8.251 -0.392 25177 4518 1 12 . 1 1 10 10 ARG N N 10 122.005 122.005 119.745 2.260 25177 4519 1 12 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.879 0.174 25177 4520 1 12 . 1 1 10 10 ARG C C 10 179.057 179.057 178.861 0.196 25177 4521 1 12 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.490 -0.415 25177 4522 1 12 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.849 0.686 25177 4523 1 12 . 1 1 10 10 ARG H H 10 8.135 8.135 8.107 0.028 25177 4524 1 12 . 1 1 11 11 LEU N N 11 120.796 120.796 119.532 1.264 25177 4525 1 12 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.670 -0.029 25177 4526 1 12 . 1 1 11 11 LEU C C 11 177.921 177.921 178.523 -0.602 25177 4527 1 12 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.825 -0.599 25177 4528 1 12 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.625 -1.021 25177 4529 1 12 . 1 1 11 11 LEU H H 11 8.066 8.066 7.979 0.087 25177 4530 1 12 . 1 1 12 12 ALA N N 12 121.596 121.596 121.538 0.058 25177 4531 1 12 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.888 0.125 25177 4532 1 12 . 1 1 12 12 ALA C C 12 180.299 180.299 179.394 0.905 25177 4533 1 12 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.138 -0.083 25177 4534 1 12 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.863 -0.432 25177 4535 1 12 . 1 1 12 12 ALA H H 12 7.670 7.670 8.049 -0.379 25177 4536 1 12 . 1 1 13 13 ALA N N 13 121.486 121.486 121.333 0.153 25177 4537 1 12 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.969 0.193 25177 4538 1 12 . 1 1 13 13 ALA C C 13 180.732 180.732 179.433 1.299 25177 4539 1 12 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.913 -0.032 25177 4540 1 12 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.383 -0.567 25177 4541 1 12 . 1 1 13 13 ALA H H 13 7.601 7.601 7.873 -0.272 25177 4542 1 12 . 1 1 14 14 ILE N N 14 121.912 121.912 118.593 3.319 25177 4543 1 12 . 1 1 14 14 ILE HA H 14 3.674 3.674 2.761 0.913 25177 4544 1 12 . 1 1 14 14 ILE C C 14 177.883 177.883 178.049 -0.166 25177 4545 1 12 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.308 0.513 25177 4546 1 12 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.216 0.862 25177 4547 1 12 . 1 1 14 14 ILE H H 14 7.843 7.843 7.941 -0.098 25177 4548 1 12 . 1 1 15 15 LYS N N 15 121.705 121.705 120.004 1.701 25177 4549 1 12 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.951 -0.114 25177 4550 1 12 . 1 1 15 15 LYS C C 15 178.896 178.896 178.993 -0.097 25177 4551 1 12 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.377 0.061 25177 4552 1 12 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.356 -0.239 25177 4553 1 12 . 1 1 15 15 LYS H H 15 8.439 8.439 8.079 0.360 25177 4554 1 12 . 1 1 16 16 THR N N 16 115.218 115.218 116.722 -1.504 25177 4555 1 12 . 1 1 16 16 THR HA H 16 3.919 3.919 4.003 -0.084 25177 4556 1 12 . 1 1 16 16 THR C C 16 176.872 176.872 177.090 -0.218 25177 4557 1 12 . 1 1 16 16 THR CA C 16 66.297 66.297 66.762 -0.465 25177 4558 1 12 . 1 1 16 16 THR CB C 16 69.045 69.045 68.523 0.522 25177 4559 1 12 . 1 1 16 16 THR H H 16 7.936 7.936 8.226 -0.290 25177 4560 1 12 . 1 1 17 17 ARG N N 17 122.508 122.508 121.457 1.051 25177 4561 1 12 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.167 -0.148 25177 4562 1 12 . 1 1 17 17 ARG C C 17 178.281 178.281 178.819 -0.538 25177 4563 1 12 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.175 -0.205 25177 4564 1 12 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.922 0.216 25177 4565 1 12 . 1 1 17 17 ARG H H 17 7.781 7.781 8.371 -0.590 25177 4566 1 12 . 1 1 18 18 CYS N N 18 119.296 119.296 117.955 1.341 25177 4567 1 12 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.253 -0.779 25177 4568 1 12 . 1 1 18 18 CYS C C 18 176.151 176.151 176.369 -0.218 25177 4569 1 12 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.646 -0.291 25177 4570 1 12 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.818 -1.246 25177 4571 1 12 . 1 1 18 18 CYS H H 18 8.158 8.158 8.082 0.076 25177 4572 1 12 . 1 1 19 19 GLN N N 19 116.825 116.825 118.219 -1.394 25177 4573 1 12 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.188 -0.148 25177 4574 1 12 . 1 1 19 19 GLN C C 19 176.178 176.178 177.557 -1.379 25177 4575 1 12 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.492 -1.113 25177 4576 1 12 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.302 -1.018 25177 4577 1 12 . 1 1 19 19 GLN H H 19 7.523 7.523 8.011 -0.488 25177 4578 1 12 . 1 1 20 20 ALA N N 20 121.265 121.265 120.026 1.239 25177 4579 1 12 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.209 0.152 25177 4580 1 12 . 1 1 20 20 ALA C C 20 177.491 177.491 177.775 -0.284 25177 4581 1 12 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.603 -0.733 25177 4582 1 12 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.674 -0.483 25177 4583 1 12 . 1 1 20 20 ALA H H 20 7.322 7.322 7.751 -0.429 25177 4584 1 12 . 1 1 21 21 LEU N N 21 120.570 120.570 118.326 2.244 25177 4585 1 12 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.856 0.174 25177 4586 1 12 . 1 1 21 21 LEU C C 21 177.889 177.889 177.604 0.285 25177 4587 1 12 . 1 1 21 21 LEU CA C 21 55.960 55.960 54.446 1.514 25177 4588 1 12 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.411 3.077 25177 4589 1 12 . 1 1 21 21 LEU H H 21 7.200 7.200 7.768 -0.568 25177 4590 1 12 . 1 1 22 22 GLY N N 22 109.881 109.881 107.847 2.034 25177 4591 1 12 . 1 1 22 22 GLY C C 22 174.896 174.896 175.363 -0.467 25177 4592 1 12 . 1 1 22 22 GLY CA C 22 45.562 45.562 46.201 -0.639 25177 4593 1 12 . 1 1 22 22 GLY H H 22 8.454 8.454 8.403 0.051 25177 4594 1 12 . 1 1 23 23 GLY N N 23 107.014 107.014 108.271 -1.257 25177 4595 1 12 . 1 1 23 23 GLY C C 23 174.347 174.347 174.028 0.319 25177 4596 1 12 . 1 1 23 23 GLY CA C 23 45.514 45.514 44.503 1.011 25177 4597 1 12 . 1 1 23 23 GLY H H 23 7.759 7.759 8.047 -0.288 25177 4598 1 12 . 1 1 24 24 SER N N 24 116.572 116.572 117.534 -0.962 25177 4599 1 12 . 1 1 24 24 SER HA H 24 4.519 4.519 4.711 -0.192 25177 4600 1 12 . 1 1 24 24 SER C C 24 175.184 175.184 174.502 0.682 25177 4601 1 12 . 1 1 24 24 SER CA C 24 57.853 57.853 56.910 0.943 25177 4602 1 12 . 1 1 24 24 SER CB C 24 64.487 64.487 64.981 -0.494 25177 4603 1 12 . 1 1 24 24 SER H H 24 8.096 8.096 7.711 0.385 25177 4604 1 12 . 1 1 25 25 GLU N N 25 126.083 126.083 127.929 -1.846 25177 4605 1 12 . 1 1 25 25 GLU HA H 25 3.853 3.853 3.965 -0.112 25177 4606 1 12 . 1 1 25 25 GLU C C 25 178.773 178.773 177.770 1.003 25177 4607 1 12 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.943 1.032 25177 4608 1 12 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.125 0.057 25177 4609 1 12 . 1 1 25 25 GLU H H 25 9.042 9.042 9.156 -0.114 25177 4610 1 12 . 1 1 26 26 ALA N N 26 121.614 121.614 122.987 -1.373 25177 4611 1 12 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.196 -0.049 25177 4612 1 12 . 1 1 26 26 ALA C C 26 180.987 180.987 179.209 1.778 25177 4613 1 12 . 1 1 26 26 ALA CA C 26 54.991 54.991 54.217 0.774 25177 4614 1 12 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.140 -0.041 25177 4615 1 12 . 1 1 26 26 ALA H H 26 8.514 8.514 8.028 0.486 25177 4616 1 12 . 1 1 27 27 GLU N N 27 119.564 119.564 120.003 -0.439 25177 4617 1 12 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.954 0.157 25177 4618 1 12 . 1 1 27 27 GLU C C 27 179.198 179.198 178.717 0.481 25177 4619 1 12 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.082 -0.256 25177 4620 1 12 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.913 1.045 25177 4621 1 12 . 1 1 27 27 GLU H H 27 7.757 7.757 8.592 -0.835 25177 4622 1 12 . 1 1 28 28 CYS N N 28 120.060 120.060 117.796 2.264 25177 4623 1 12 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.908 0.223 25177 4624 1 12 . 1 1 28 28 CYS C C 28 176.521 176.521 177.030 -0.509 25177 4625 1 12 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.671 0.040 25177 4626 1 12 . 1 1 28 28 CYS CB C 28 26.601 26.601 27.086 -0.485 25177 4627 1 12 . 1 1 28 28 CYS H H 28 8.145 8.145 7.856 0.289 25177 4628 1 12 . 1 1 29 29 ALA N N 29 122.930 122.930 123.046 -0.116 25177 4629 1 12 . 1 1 29 29 ALA HA H 29 4.210 4.210 4.003 0.207 25177 4630 1 12 . 1 1 29 29 ALA C C 29 179.659 179.659 178.887 0.772 25177 4631 1 12 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.031 -0.137 25177 4632 1 12 . 1 1 29 29 ALA CB C 29 17.701 17.701 18.053 -0.352 25177 4633 1 12 . 1 1 29 29 ALA H H 29 8.342 8.342 7.534 0.808 25177 4634 1 12 . 1 1 30 30 ALA N N 30 121.235 121.235 121.203 0.032 25177 4635 1 12 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.093 0.132 25177 4636 1 12 . 1 1 30 30 ALA C C 30 180.452 180.452 179.779 0.673 25177 4637 1 12 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.967 -0.007 25177 4638 1 12 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.321 -0.572 25177 4639 1 12 . 1 1 30 30 ALA H H 30 7.676 7.676 7.858 -0.182 25177 4640 1 12 . 1 1 31 31 PHE N N 31 121.297 121.297 118.395 2.902 25177 4641 1 12 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.103 0.238 25177 4642 1 12 . 1 1 31 31 PHE C C 31 177.355 177.355 177.931 -0.576 25177 4643 1 12 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.014 1.005 25177 4644 1 12 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.246 1.068 25177 4645 1 12 . 1 1 31 31 PHE H H 31 8.086 8.086 8.122 -0.036 25177 4646 1 12 . 1 1 32 32 GLU N N 32 119.861 119.861 119.726 0.135 25177 4647 1 12 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.890 -0.106 25177 4648 1 12 . 1 1 32 32 GLU C C 32 178.906 178.906 179.070 -0.164 25177 4649 1 12 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.029 -0.084 25177 4650 1 12 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.439 -0.496 25177 4651 1 12 . 1 1 32 32 GLU H H 32 8.417 8.417 8.233 0.184 25177 4652 1 12 . 1 1 33 33 LYS N N 33 118.133 118.133 119.624 -1.491 25177 4653 1 12 . 1 1 33 33 LYS HA H 33 4.044 4.044 4.013 0.031 25177 4654 1 12 . 1 1 33 33 LYS C C 33 179.471 179.471 178.746 0.725 25177 4655 1 12 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.286 0.111 25177 4656 1 12 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.251 -0.020 25177 4657 1 12 . 1 1 33 33 LYS H H 33 7.491 7.491 7.928 -0.437 25177 4658 1 12 . 1 1 34 34 GLU N N 34 121.763 121.763 119.958 1.805 25177 4659 1 12 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.931 0.186 25177 4660 1 12 . 1 1 34 34 GLU C C 34 179.955 179.955 179.132 0.823 25177 4661 1 12 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.450 0.066 25177 4662 1 12 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.451 0.012 25177 4663 1 12 . 1 1 34 34 GLU H H 34 7.699 7.699 7.867 -0.168 25177 4664 1 12 . 1 1 35 35 ILE N N 35 121.167 121.167 119.084 2.083 25177 4665 1 12 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.552 0.231 25177 4666 1 12 . 1 1 35 35 ILE C C 35 177.219 177.219 178.013 -0.794 25177 4667 1 12 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.873 0.088 25177 4668 1 12 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.676 0.980 25177 4669 1 12 . 1 1 35 35 ILE H H 35 8.120 8.120 8.109 0.011 25177 4670 1 12 . 1 1 36 36 ALA N N 36 124.132 124.132 122.448 1.684 25177 4671 1 12 . 1 1 36 36 ALA HA H 36 4.346 4.346 3.930 0.416 25177 4672 1 12 . 1 1 36 36 ALA C C 36 180.915 180.915 179.611 1.304 25177 4673 1 12 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.438 -0.434 25177 4674 1 12 . 1 1 36 36 ALA CB C 36 17.760 17.760 17.987 -0.227 25177 4675 1 12 . 1 1 36 36 ALA H H 36 8.161 8.161 8.118 0.043 25177 4676 1 12 . 1 1 37 37 ALA N N 37 121.980 121.980 121.134 0.846 25177 4677 1 12 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.140 0.050 25177 4678 1 12 . 1 1 37 37 ALA C C 37 180.126 180.126 179.743 0.383 25177 4679 1 12 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.904 0.137 25177 4680 1 12 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.398 -0.798 25177 4681 1 12 . 1 1 37 37 ALA H H 37 7.887 7.887 7.984 -0.097 25177 4682 1 12 . 1 1 38 38 PHE N N 38 121.517 121.517 118.872 2.645 25177 4683 1 12 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.198 -0.005 25177 4684 1 12 . 1 1 38 38 PHE C C 38 177.044 177.044 177.823 -0.779 25177 4685 1 12 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.863 0.622 25177 4686 1 12 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.736 0.341 25177 4687 1 12 . 1 1 38 38 PHE H H 38 7.751 7.751 8.258 -0.507 25177 4688 1 12 . 1 1 39 39 GLU N N 39 118.815 118.815 117.988 0.827 25177 4689 1 12 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.915 -0.277 25177 4690 1 12 . 1 1 39 39 GLU C C 39 179.591 179.591 178.817 0.774 25177 4691 1 12 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.621 0.800 25177 4692 1 12 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.076 0.786 25177 4693 1 12 . 1 1 39 39 GLU H H 39 8.746 8.746 8.646 0.100 25177 4694 1 12 . 1 1 40 40 SER N N 40 115.384 115.384 115.551 -0.167 25177 4695 1 12 . 1 1 40 40 SER HA H 40 4.176 4.176 4.187 -0.011 25177 4696 1 12 . 1 1 40 40 SER C C 40 177.354 177.354 176.698 0.656 25177 4697 1 12 . 1 1 40 40 SER CA C 40 61.771 61.771 61.286 0.485 25177 4698 1 12 . 1 1 40 40 SER CB C 40 62.786 62.786 63.027 -0.241 25177 4699 1 12 . 1 1 40 40 SER H H 40 8.171 8.171 8.113 0.058 25177 4700 1 12 . 1 1 41 41 GLU N N 41 123.650 123.650 119.928 3.722 25177 4701 1 12 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.098 -0.025 25177 4702 1 12 . 1 1 41 41 GLU C C 41 179.360 179.360 178.776 0.584 25177 4703 1 12 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.621 0.888 25177 4704 1 12 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.143 -0.622 25177 4705 1 12 . 1 1 41 41 GLU H H 41 7.819 7.819 7.977 -0.158 25177 4706 1 12 . 1 1 42 42 LEU N N 42 119.352 119.352 119.051 0.301 25177 4707 1 12 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.316 -0.549 25177 4708 1 12 . 1 1 42 42 LEU C C 42 179.152 179.152 178.604 0.548 25177 4709 1 12 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.408 -0.445 25177 4710 1 12 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.051 -0.559 25177 4711 1 12 . 1 1 42 42 LEU H H 42 7.816 7.816 8.153 -0.337 25177 4712 1 12 . 1 1 43 43 GLN N N 43 118.423 118.423 118.831 -0.408 25177 4713 1 12 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.101 -0.143 25177 4714 1 12 . 1 1 43 43 GLN C C 43 177.081 177.081 176.706 0.375 25177 4715 1 12 . 1 1 43 43 GLN CA C 43 58.165 58.165 58.200 -0.035 25177 4716 1 12 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.053 0.154 25177 4717 1 12 . 1 1 43 43 GLN H H 43 7.785 7.785 8.067 -0.282 25177 4718 1 12 . 1 1 44 44 ALA N N 44 120.300 120.300 120.790 -0.490 25177 4719 1 12 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.031 0.130 25177 4720 1 12 . 1 1 44 44 ALA C C 44 177.823 177.823 178.363 -0.540 25177 4721 1 12 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.755 -0.600 25177 4722 1 12 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.111 0.314 25177 4723 1 12 . 1 1 44 44 ALA H H 44 7.380 7.380 7.612 -0.232 25177 4724 1 12 . 1 1 45 45 TYR N N 45 118.887 118.887 118.056 0.831 25177 4725 1 12 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.437 -0.064 25177 4726 1 12 . 1 1 45 45 TYR C C 45 176.018 176.018 176.523 -0.505 25177 4727 1 12 . 1 1 45 45 TYR CA C 45 58.749 58.749 58.144 0.605 25177 4728 1 12 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.840 -0.043 25177 4729 1 12 . 1 1 45 45 TYR H H 45 7.438 7.438 7.063 0.375 25177 4730 1 12 . 1 1 46 46 LYS N N 46 124.177 124.177 121.973 2.204 25177 4731 1 12 . 1 1 46 46 LYS HA H 46 4.186 4.186 3.971 0.215 25177 4732 1 12 . 1 1 46 46 LYS C C 46 176.900 176.900 176.426 0.474 25177 4733 1 12 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.922 -0.204 25177 4734 1 12 . 1 1 46 46 LYS CB C 46 32.774 32.774 31.076 1.698 25177 4735 1 12 . 1 1 46 46 LYS H H 46 7.884 7.884 8.048 -0.164 25177 4736 1 12 . 1 1 47 47 GLY N N 47 109.590 109.590 111.917 -2.327 25177 4737 1 12 . 1 1 47 47 GLY C C 47 174.029 174.029 174.017 0.012 25177 4738 1 12 . 1 1 47 47 GLY CA C 47 45.597 45.597 45.446 0.151 25177 4739 1 12 . 1 1 47 47 GLY H H 47 7.662 7.662 8.466 -0.804 25177 4740 1 12 . 1 1 48 48 LYS N N 48 120.521 120.521 120.969 -0.448 25177 4741 1 12 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.059 -0.138 25177 4742 1 12 . 1 1 48 48 LYS C C 48 177.262 177.262 176.563 0.699 25177 4743 1 12 . 1 1 48 48 LYS CA C 48 56.345 56.345 56.384 -0.039 25177 4744 1 12 . 1 1 48 48 LYS CB C 48 32.878 32.878 31.464 1.414 25177 4745 1 12 . 1 1 48 48 LYS H H 48 8.049 8.049 8.625 -0.576 25177 4746 1 12 . 1 1 49 49 GLY N N 49 110.678 110.678 107.040 3.638 25177 4747 1 12 . 1 1 49 49 GLY C C 49 173.842 173.842 173.622 0.220 25177 4748 1 12 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.541 0.044 25177 4749 1 12 . 1 1 49 49 GLY H H 49 8.604 8.604 8.492 0.112 25177 4750 1 12 . 1 1 50 50 ASN N N 50 120.298 120.298 116.871 3.427 25177 4751 1 12 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.787 0.169 25177 4752 1 12 . 1 1 50 50 ASN C C 50 177.904 177.904 173.610 4.294 25177 4753 1 12 . 1 1 50 50 ASN CA C 50 51.649 51.649 52.125 -0.476 25177 4754 1 12 . 1 1 50 50 ASN CB C 50 38.943 38.943 39.214 -0.271 25177 4755 1 12 . 1 1 50 50 ASN H H 50 8.045 8.045 8.002 0.043 25177 4756 1 12 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.422 -0.150 25177 4757 1 12 . 1 1 51 51 PRO C C 51 178.931 178.931 178.024 0.907 25177 4758 1 12 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.494 0.615 25177 4759 1 12 . 1 1 51 51 PRO CB C 51 31.834 31.834 31.756 0.078 25177 4760 1 12 . 1 1 52 52 GLU N N 52 119.291 119.291 119.676 -0.385 25177 4761 1 12 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.972 0.087 25177 4762 1 12 . 1 1 52 52 GLU C C 52 178.805 178.805 178.544 0.261 25177 4763 1 12 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.090 0.083 25177 4764 1 12 . 1 1 52 52 GLU CB C 52 28.685 28.685 27.763 0.922 25177 4765 1 12 . 1 1 52 52 GLU H H 52 8.344 8.344 8.697 -0.353 25177 4766 1 12 . 1 1 53 53 VAL N N 53 120.013 120.013 120.224 -0.211 25177 4767 1 12 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.803 -0.301 25177 4768 1 12 . 1 1 53 53 VAL C C 53 177.587 177.587 178.054 -0.467 25177 4769 1 12 . 1 1 53 53 VAL CA C 53 65.946 65.946 66.634 -0.688 25177 4770 1 12 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.500 -0.025 25177 4771 1 12 . 1 1 53 53 VAL H H 53 7.304 7.304 7.457 -0.153 25177 4772 1 12 . 1 1 54 54 GLU N N 54 119.848 119.848 119.401 0.447 25177 4773 1 12 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.945 0.103 25177 4774 1 12 . 1 1 54 54 GLU C C 54 178.910 178.910 178.734 0.176 25177 4775 1 12 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.928 -1.071 25177 4776 1 12 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.004 -0.305 25177 4777 1 12 . 1 1 54 54 GLU H H 54 7.820 7.820 8.483 -0.663 25177 4778 1 12 . 1 1 55 55 ALA N N 55 121.463 121.463 122.267 -0.804 25177 4779 1 12 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.127 0.018 25177 4780 1 12 . 1 1 55 55 ALA C C 55 180.920 180.920 179.982 0.938 25177 4781 1 12 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.125 0.134 25177 4782 1 12 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.174 -0.374 25177 4783 1 12 . 1 1 55 55 ALA H H 55 7.701 7.701 7.738 -0.037 25177 4784 1 12 . 1 1 56 56 LEU N N 56 120.343 120.343 118.745 1.598 25177 4785 1 12 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.857 0.288 25177 4786 1 12 . 1 1 56 56 LEU C C 56 178.721 178.721 179.488 -0.767 25177 4787 1 12 . 1 1 56 56 LEU CA C 56 57.899 57.899 57.895 0.004 25177 4788 1 12 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.455 0.743 25177 4789 1 12 . 1 1 56 56 LEU H H 56 7.656 7.656 7.694 -0.038 25177 4790 1 12 . 1 1 57 57 ARG N N 57 119.950 119.950 118.124 1.826 25177 4791 1 12 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.968 -0.147 25177 4792 1 12 . 1 1 57 57 ARG C C 57 179.667 179.667 178.785 0.882 25177 4793 1 12 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.034 1.153 25177 4794 1 12 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.515 -0.330 25177 4795 1 12 . 1 1 57 57 ARG H H 57 8.350 8.350 8.357 -0.007 25177 4796 1 12 . 1 1 58 58 LYS N N 58 120.501 120.501 120.217 0.284 25177 4797 1 12 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.048 -0.018 25177 4798 1 12 . 1 1 58 58 LYS C C 58 179.448 179.448 179.108 0.340 25177 4799 1 12 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.276 0.302 25177 4800 1 12 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.102 0.267 25177 4801 1 12 . 1 1 58 58 LYS H H 58 7.989 7.989 8.074 -0.085 25177 4802 1 12 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.999 0.145 25177 4803 1 12 . 1 1 59 59 GLU C C 59 178.877 178.877 178.877 0.000 25177 4804 1 12 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.517 -0.099 25177 4805 1 12 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.442 -0.209 25177 4806 1 12 . 1 1 59 59 GLU H H 59 7.891 7.891 8.091 -0.200 25177 4807 1 12 . 1 1 60 60 ALA N N 60 122.069 122.069 121.804 0.265 25177 4808 1 12 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.961 -0.025 25177 4809 1 12 . 1 1 60 60 ALA C C 60 178.379 178.379 179.665 -1.286 25177 4810 1 12 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.161 -0.267 25177 4811 1 12 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.127 -0.599 25177 4812 1 12 . 1 1 60 60 ALA H H 60 8.480 8.480 8.235 0.245 25177 4813 1 12 . 1 1 61 61 ALA N N 61 121.446 121.446 121.366 0.080 25177 4814 1 12 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.956 0.189 25177 4815 1 12 . 1 1 61 61 ALA C C 61 178.579 178.579 179.342 -0.763 25177 4816 1 12 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.937 0.503 25177 4817 1 12 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.474 -0.308 25177 4818 1 12 . 1 1 61 61 ALA H H 61 7.702 7.702 8.017 -0.315 25177 4819 1 12 . 1 1 62 62 ALA N N 62 119.705 119.705 121.756 -2.051 25177 4820 1 12 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.000 0.032 25177 4821 1 12 . 1 1 62 62 ALA C C 62 180.829 180.829 179.636 1.193 25177 4822 1 12 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.843 -0.048 25177 4823 1 12 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.480 -0.808 25177 4824 1 12 . 1 1 62 62 ALA H H 62 7.818 7.818 7.801 0.017 25177 4825 1 12 . 1 1 63 63 ILE N N 63 121.021 121.021 119.601 1.420 25177 4826 1 12 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.650 0.201 25177 4827 1 12 . 1 1 63 63 ILE C C 63 178.076 178.076 177.893 0.183 25177 4828 1 12 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.725 -1.038 25177 4829 1 12 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.657 0.298 25177 4830 1 12 . 1 1 63 63 ILE H H 63 7.876 7.876 8.156 -0.280 25177 4831 1 12 . 1 1 64 64 ARG N N 64 121.460 121.460 120.456 1.004 25177 4832 1 12 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.884 0.007 25177 4833 1 12 . 1 1 64 64 ARG C C 64 178.617 178.617 177.921 0.696 25177 4834 1 12 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.027 1.300 25177 4835 1 12 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.312 0.010 25177 4836 1 12 . 1 1 64 64 ARG H H 64 8.023 8.023 8.156 -0.133 25177 4837 1 12 . 1 1 65 65 ASP N N 65 119.343 119.343 119.525 -0.182 25177 4838 1 12 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.632 -0.247 25177 4839 1 12 . 1 1 65 65 ASP C C 65 178.827 178.827 178.892 -0.065 25177 4840 1 12 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.092 0.221 25177 4841 1 12 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.160 0.202 25177 4842 1 12 . 1 1 65 65 ASP H H 65 8.046 8.046 8.168 -0.122 25177 4843 1 12 . 1 1 66 66 GLU N N 66 121.291 121.291 119.833 1.458 25177 4844 1 12 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.624 0.414 25177 4845 1 12 . 1 1 66 66 GLU C C 66 178.410 178.410 178.602 -0.192 25177 4846 1 12 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.155 -0.262 25177 4847 1 12 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.399 0.077 25177 4848 1 12 . 1 1 66 66 GLU H H 66 7.931 7.931 7.948 -0.017 25177 4849 1 12 . 1 1 67 67 CYS N N 67 117.825 117.825 117.760 0.065 25177 4850 1 12 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.106 0.093 25177 4851 1 12 . 1 1 67 67 CYS C C 67 176.095 176.095 177.167 -1.072 25177 4852 1 12 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.171 -2.686 25177 4853 1 12 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.607 -0.596 25177 4854 1 12 . 1 1 67 67 CYS H H 67 8.009 8.009 8.159 -0.150 25177 4855 1 12 . 1 1 68 68 GLN N N 68 118.847 118.847 118.737 0.110 25177 4856 1 12 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.118 -0.001 25177 4857 1 12 . 1 1 68 68 GLN C C 68 177.110 177.110 177.478 -0.368 25177 4858 1 12 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.416 -0.963 25177 4859 1 12 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.516 -0.168 25177 4860 1 12 . 1 1 68 68 GLN H H 68 7.906 7.906 7.947 -0.041 25177 4861 1 12 . 1 1 69 69 ALA N N 69 122.260 122.260 119.066 3.194 25177 4862 1 12 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.191 -0.088 25177 4863 1 12 . 1 1 69 69 ALA C C 69 178.367 178.367 177.955 0.412 25177 4864 1 12 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.318 0.364 25177 4865 1 12 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.516 -0.320 25177 4866 1 12 . 1 1 69 69 ALA H H 69 7.648 7.648 7.461 0.187 25177 4867 1 12 . 1 1 70 70 TYR N N 70 117.039 117.039 116.900 0.139 25177 4868 1 12 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.593 -0.183 25177 4869 1 12 . 1 1 70 70 TYR C C 70 176.061 176.061 176.989 -0.928 25177 4870 1 12 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.622 -0.166 25177 4871 1 12 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.869 -1.658 25177 4872 1 12 . 1 1 70 70 TYR H H 70 7.541 7.541 7.262 0.279 25177 4873 1 12 . 1 1 71 71 ARG N N 71 120.503 120.503 118.507 1.996 25177 4874 1 12 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.555 -0.311 25177 4875 1 12 . 1 1 71 71 ARG C C 71 175.759 175.759 175.405 0.354 25177 4876 1 12 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.214 -0.194 25177 4877 1 12 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.753 -0.124 25177 4878 1 12 . 1 1 71 71 ARG H H 71 7.541 7.541 7.920 -0.379 25177 4879 1 12 . 1 1 72 72 HIS N N 72 120.119 120.119 115.287 4.832 25177 4880 1 12 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.579 0.085 25177 4881 1 12 . 1 1 72 72 HIS C C 72 173.738 173.738 173.078 0.660 25177 4882 1 12 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.476 -1.083 25177 4883 1 12 . 1 1 72 72 HIS CB C 72 29.761 29.761 30.026 -0.265 25177 4884 1 12 . 1 1 72 72 HIS H H 72 8.126 8.126 8.218 -0.092 25177 4885 1 13 . 1 1 3 3 SER HA H 3 4.362 4.362 4.703 -0.341 25177 4886 1 13 . 1 1 3 3 SER C C 3 176.187 176.187 174.647 1.540 25177 4887 1 13 . 1 1 3 3 SER CA C 3 55.064 55.064 57.676 -2.612 25177 4888 1 13 . 1 1 3 3 SER CB C 3 61.154 61.154 62.518 -1.364 25177 4889 1 13 . 1 1 4 4 TRP N N 4 122.487 122.487 124.342 -1.855 25177 4890 1 13 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.556 -0.024 25177 4891 1 13 . 1 1 4 4 TRP C C 4 177.481 177.481 175.970 1.511 25177 4892 1 13 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.203 -0.662 25177 4893 1 13 . 1 1 4 4 TRP CB C 4 29.557 29.557 30.118 -0.561 25177 4894 1 13 . 1 1 4 4 TRP H H 4 8.287 8.287 7.977 0.310 25177 4895 1 13 . 1 1 5 5 ALA N N 5 121.306 121.306 121.551 -0.245 25177 4896 1 13 . 1 1 5 5 ALA HA H 5 3.882 3.882 4.014 -0.132 25177 4897 1 13 . 1 1 5 5 ALA C C 5 180.462 180.462 179.584 0.878 25177 4898 1 13 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.907 -0.509 25177 4899 1 13 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.762 0.267 25177 4900 1 13 . 1 1 5 5 ALA H H 5 8.287 8.287 8.273 0.014 25177 4901 1 13 . 1 1 6 6 GLU N N 6 118.841 118.841 118.757 0.084 25177 4902 1 13 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.101 -0.039 25177 4903 1 13 . 1 1 6 6 GLU C C 6 179.425 179.425 178.829 0.596 25177 4904 1 13 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.195 0.047 25177 4905 1 13 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.414 -0.197 25177 4906 1 13 . 1 1 6 6 GLU H H 6 7.805 7.805 8.472 -0.667 25177 4907 1 13 . 1 1 7 7 PHE N N 7 120.314 120.314 118.353 1.961 25177 4908 1 13 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.329 0.036 25177 4909 1 13 . 1 1 7 7 PHE C C 7 178.168 178.168 177.799 0.369 25177 4910 1 13 . 1 1 7 7 PHE CA C 7 61.400 61.400 62.214 -0.814 25177 4911 1 13 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.982 0.192 25177 4912 1 13 . 1 1 7 7 PHE H H 7 7.950 7.950 7.768 0.182 25177 4913 1 13 . 1 1 8 8 LYS N N 8 119.370 119.370 119.978 -0.608 25177 4914 1 13 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.764 0.043 25177 4915 1 13 . 1 1 8 8 LYS C C 8 179.501 179.501 178.784 0.717 25177 4916 1 13 . 1 1 8 8 LYS CA C 8 60.102 60.102 58.902 1.200 25177 4917 1 13 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.768 0.025 25177 4918 1 13 . 1 1 8 8 LYS H H 8 8.214 8.214 8.371 -0.157 25177 4919 1 13 . 1 1 9 9 GLN N N 9 120.219 120.219 118.756 1.463 25177 4920 1 13 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.981 0.094 25177 4921 1 13 . 1 1 9 9 GLN C C 9 178.818 178.818 178.461 0.357 25177 4922 1 13 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.477 -0.879 25177 4923 1 13 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.813 -0.713 25177 4924 1 13 . 1 1 9 9 GLN H H 9 7.859 7.859 8.130 -0.271 25177 4925 1 13 . 1 1 10 10 ARG N N 10 122.005 122.005 119.752 2.253 25177 4926 1 13 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.903 0.150 25177 4927 1 13 . 1 1 10 10 ARG C C 10 179.057 179.057 178.895 0.162 25177 4928 1 13 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.480 -0.405 25177 4929 1 13 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.886 0.649 25177 4930 1 13 . 1 1 10 10 ARG H H 10 8.135 8.135 8.018 0.117 25177 4931 1 13 . 1 1 11 11 LEU N N 11 120.796 120.796 119.528 1.268 25177 4932 1 13 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.718 -0.077 25177 4933 1 13 . 1 1 11 11 LEU C C 11 177.921 177.921 178.531 -0.610 25177 4934 1 13 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.939 -0.713 25177 4935 1 13 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.697 -1.093 25177 4936 1 13 . 1 1 11 11 LEU H H 11 8.066 8.066 8.064 0.002 25177 4937 1 13 . 1 1 12 12 ALA N N 12 121.596 121.596 121.894 -0.298 25177 4938 1 13 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.856 0.157 25177 4939 1 13 . 1 1 12 12 ALA C C 12 180.299 180.299 179.139 1.160 25177 4940 1 13 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.098 -0.043 25177 4941 1 13 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.942 -0.510 25177 4942 1 13 . 1 1 12 12 ALA H H 12 7.670 7.670 8.006 -0.336 25177 4943 1 13 . 1 1 13 13 ALA N N 13 121.486 121.486 121.358 0.128 25177 4944 1 13 . 1 1 13 13 ALA HA H 13 4.162 4.162 4.010 0.152 25177 4945 1 13 . 1 1 13 13 ALA C C 13 180.732 180.732 179.520 1.212 25177 4946 1 13 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.888 -0.007 25177 4947 1 13 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.449 -0.633 25177 4948 1 13 . 1 1 13 13 ALA H H 13 7.601 7.601 7.846 -0.245 25177 4949 1 13 . 1 1 14 14 ILE N N 14 121.912 121.912 118.141 3.771 25177 4950 1 13 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.021 0.653 25177 4951 1 13 . 1 1 14 14 ILE C C 14 177.883 177.883 178.063 -0.180 25177 4952 1 13 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.262 0.559 25177 4953 1 13 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.324 0.754 25177 4954 1 13 . 1 1 14 14 ILE H H 14 7.843 7.843 7.974 -0.131 25177 4955 1 13 . 1 1 15 15 LYS N N 15 121.705 121.705 120.356 1.349 25177 4956 1 13 . 1 1 15 15 LYS HA H 15 3.837 3.837 4.033 -0.196 25177 4957 1 13 . 1 1 15 15 LYS C C 15 178.896 178.896 179.034 -0.138 25177 4958 1 13 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.402 0.036 25177 4959 1 13 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.347 -0.230 25177 4960 1 13 . 1 1 15 15 LYS H H 15 8.439 8.439 8.212 0.227 25177 4961 1 13 . 1 1 16 16 THR N N 16 115.218 115.218 117.010 -1.792 25177 4962 1 13 . 1 1 16 16 THR HA H 16 3.919 3.919 4.003 -0.084 25177 4963 1 13 . 1 1 16 16 THR C C 16 176.872 176.872 177.073 -0.201 25177 4964 1 13 . 1 1 16 16 THR CA C 16 66.297 66.297 66.981 -0.684 25177 4965 1 13 . 1 1 16 16 THR CB C 16 69.045 69.045 68.547 0.498 25177 4966 1 13 . 1 1 16 16 THR H H 16 7.936 7.936 8.154 -0.218 25177 4967 1 13 . 1 1 17 17 ARG N N 17 122.508 122.508 121.439 1.069 25177 4968 1 13 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.166 -0.147 25177 4969 1 13 . 1 1 17 17 ARG C C 17 178.281 178.281 178.770 -0.489 25177 4970 1 13 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.321 -0.351 25177 4971 1 13 . 1 1 17 17 ARG CB C 17 30.138 30.138 30.039 0.099 25177 4972 1 13 . 1 1 17 17 ARG H H 17 7.781 7.781 8.316 -0.535 25177 4973 1 13 . 1 1 18 18 CYS N N 18 119.296 119.296 118.012 1.284 25177 4974 1 13 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.266 -0.792 25177 4975 1 13 . 1 1 18 18 CYS C C 18 176.151 176.151 176.324 -0.173 25177 4976 1 13 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.880 -0.525 25177 4977 1 13 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.402 -0.830 25177 4978 1 13 . 1 1 18 18 CYS H H 18 8.158 8.158 8.080 0.078 25177 4979 1 13 . 1 1 19 19 GLN N N 19 116.825 116.825 118.537 -1.712 25177 4980 1 13 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.232 -0.192 25177 4981 1 13 . 1 1 19 19 GLN C C 19 176.178 176.178 177.743 -1.565 25177 4982 1 13 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.345 -0.966 25177 4983 1 13 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.154 -0.870 25177 4984 1 13 . 1 1 19 19 GLN H H 19 7.523 7.523 7.916 -0.393 25177 4985 1 13 . 1 1 20 20 ALA N N 20 121.265 121.265 119.849 1.416 25177 4986 1 13 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.250 0.111 25177 4987 1 13 . 1 1 20 20 ALA C C 20 177.491 177.491 177.795 -0.304 25177 4988 1 13 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.741 -0.871 25177 4989 1 13 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.619 -0.428 25177 4990 1 13 . 1 1 20 20 ALA H H 20 7.322 7.322 7.854 -0.532 25177 4991 1 13 . 1 1 21 21 LEU N N 21 120.570 120.570 116.501 4.069 25177 4992 1 13 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.906 0.124 25177 4993 1 13 . 1 1 21 21 LEU C C 21 177.889 177.889 177.269 0.620 25177 4994 1 13 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.539 0.421 25177 4995 1 13 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.589 2.899 25177 4996 1 13 . 1 1 21 21 LEU H H 21 7.200 7.200 7.925 -0.725 25177 4997 1 13 . 1 1 22 22 GLY N N 22 109.881 109.881 104.484 5.397 25177 4998 1 13 . 1 1 22 22 GLY C C 22 174.896 174.896 175.383 -0.487 25177 4999 1 13 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.763 0.799 25177 5000 1 13 . 1 1 22 22 GLY H H 22 8.454 8.454 8.018 0.436 25177 5001 1 13 . 1 1 23 23 GLY N N 23 107.014 107.014 110.201 -3.187 25177 5002 1 13 . 1 1 23 23 GLY C C 23 174.347 174.347 173.943 0.404 25177 5003 1 13 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.746 -0.232 25177 5004 1 13 . 1 1 23 23 GLY H H 23 7.759 7.759 8.291 -0.532 25177 5005 1 13 . 1 1 24 24 SER N N 24 116.572 116.572 114.070 2.502 25177 5006 1 13 . 1 1 24 24 SER HA H 24 4.519 4.519 4.547 -0.028 25177 5007 1 13 . 1 1 24 24 SER C C 24 175.184 175.184 174.439 0.745 25177 5008 1 13 . 1 1 24 24 SER CA C 24 57.853 57.853 57.180 0.673 25177 5009 1 13 . 1 1 24 24 SER CB C 24 64.487 64.487 65.604 -1.117 25177 5010 1 13 . 1 1 24 24 SER H H 24 8.096 8.096 7.822 0.274 25177 5011 1 13 . 1 1 25 25 GLU N N 25 126.083 126.083 123.086 2.997 25177 5012 1 13 . 1 1 25 25 GLU HA H 25 3.853 3.853 3.984 -0.131 25177 5013 1 13 . 1 1 25 25 GLU C C 25 178.773 178.773 177.559 1.214 25177 5014 1 13 . 1 1 25 25 GLU CA C 25 59.974 59.974 59.403 0.571 25177 5015 1 13 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.819 -0.637 25177 5016 1 13 . 1 1 25 25 GLU H H 25 9.042 9.042 8.815 0.227 25177 5017 1 13 . 1 1 26 26 ALA N N 26 121.614 121.614 121.624 -0.010 25177 5018 1 13 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.281 -0.134 25177 5019 1 13 . 1 1 26 26 ALA C C 26 180.987 180.987 179.673 1.314 25177 5020 1 13 . 1 1 26 26 ALA CA C 26 54.991 54.991 54.260 0.731 25177 5021 1 13 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.186 -0.087 25177 5022 1 13 . 1 1 26 26 ALA H H 26 8.514 8.514 7.988 0.526 25177 5023 1 13 . 1 1 27 27 GLU N N 27 119.564 119.564 119.901 -0.337 25177 5024 1 13 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.989 0.122 25177 5025 1 13 . 1 1 27 27 GLU C C 27 179.198 179.198 178.567 0.631 25177 5026 1 13 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.044 -0.218 25177 5027 1 13 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.745 1.213 25177 5028 1 13 . 1 1 27 27 GLU H H 27 7.757 7.757 8.566 -0.809 25177 5029 1 13 . 1 1 28 28 CYS N N 28 120.060 120.060 117.605 2.455 25177 5030 1 13 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.893 0.238 25177 5031 1 13 . 1 1 28 28 CYS C C 28 176.521 176.521 176.838 -0.317 25177 5032 1 13 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.316 0.394 25177 5033 1 13 . 1 1 28 28 CYS CB C 28 26.601 26.601 27.070 -0.469 25177 5034 1 13 . 1 1 28 28 CYS H H 28 8.145 8.145 7.631 0.514 25177 5035 1 13 . 1 1 29 29 ALA N N 29 122.930 122.930 122.188 0.742 25177 5036 1 13 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.973 0.237 25177 5037 1 13 . 1 1 29 29 ALA C C 29 179.659 179.659 179.045 0.614 25177 5038 1 13 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.246 -0.352 25177 5039 1 13 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.983 -0.282 25177 5040 1 13 . 1 1 29 29 ALA H H 29 8.342 8.342 7.823 0.519 25177 5041 1 13 . 1 1 30 30 ALA N N 30 121.235 121.235 121.096 0.139 25177 5042 1 13 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.000 0.225 25177 5043 1 13 . 1 1 30 30 ALA C C 30 180.452 180.452 179.553 0.899 25177 5044 1 13 . 1 1 30 30 ALA CA C 30 54.960 54.960 55.019 -0.059 25177 5045 1 13 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.360 -0.611 25177 5046 1 13 . 1 1 30 30 ALA H H 30 7.676 7.676 7.635 0.041 25177 5047 1 13 . 1 1 31 31 PHE N N 31 121.297 121.297 118.651 2.646 25177 5048 1 13 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.128 0.213 25177 5049 1 13 . 1 1 31 31 PHE C C 31 177.355 177.355 177.539 -0.184 25177 5050 1 13 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.216 0.803 25177 5051 1 13 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.542 0.772 25177 5052 1 13 . 1 1 31 31 PHE H H 31 8.086 8.086 8.149 -0.063 25177 5053 1 13 . 1 1 32 32 GLU N N 32 119.861 119.861 119.911 -0.050 25177 5054 1 13 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.856 -0.072 25177 5055 1 13 . 1 1 32 32 GLU C C 32 178.906 178.906 178.836 0.070 25177 5056 1 13 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.233 -0.289 25177 5057 1 13 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.464 -0.521 25177 5058 1 13 . 1 1 32 32 GLU H H 32 8.417 8.417 8.307 0.110 25177 5059 1 13 . 1 1 33 33 LYS N N 33 118.133 118.133 119.577 -1.444 25177 5060 1 13 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.974 0.070 25177 5061 1 13 . 1 1 33 33 LYS C C 33 179.471 179.471 179.064 0.407 25177 5062 1 13 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.848 -0.451 25177 5063 1 13 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.346 -0.115 25177 5064 1 13 . 1 1 33 33 LYS H H 33 7.491 7.491 7.934 -0.443 25177 5065 1 13 . 1 1 34 34 GLU N N 34 121.763 121.763 119.701 2.062 25177 5066 1 13 . 1 1 34 34 GLU HA H 34 4.117 4.117 4.029 0.088 25177 5067 1 13 . 1 1 34 34 GLU C C 34 179.955 179.955 179.159 0.796 25177 5068 1 13 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.322 0.194 25177 5069 1 13 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.337 0.126 25177 5070 1 13 . 1 1 34 34 GLU H H 34 7.699 7.699 7.902 -0.203 25177 5071 1 13 . 1 1 35 35 ILE N N 35 121.167 121.167 119.275 1.892 25177 5072 1 13 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.613 0.170 25177 5073 1 13 . 1 1 35 35 ILE C C 35 177.219 177.219 178.133 -0.914 25177 5074 1 13 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.957 0.004 25177 5075 1 13 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.594 1.062 25177 5076 1 13 . 1 1 35 35 ILE H H 35 8.120 8.120 8.008 0.112 25177 5077 1 13 . 1 1 36 36 ALA N N 36 124.132 124.132 122.275 1.857 25177 5078 1 13 . 1 1 36 36 ALA HA H 36 4.346 4.346 3.940 0.406 25177 5079 1 13 . 1 1 36 36 ALA C C 36 180.915 180.915 179.613 1.302 25177 5080 1 13 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.444 -0.440 25177 5081 1 13 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.029 -0.269 25177 5082 1 13 . 1 1 36 36 ALA H H 36 8.161 8.161 8.080 0.081 25177 5083 1 13 . 1 1 37 37 ALA N N 37 121.980 121.980 121.197 0.783 25177 5084 1 13 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.203 -0.013 25177 5085 1 13 . 1 1 37 37 ALA C C 37 180.126 180.126 179.792 0.334 25177 5086 1 13 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.458 0.583 25177 5087 1 13 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.456 -0.856 25177 5088 1 13 . 1 1 37 37 ALA H H 37 7.887 7.887 7.980 -0.093 25177 5089 1 13 . 1 1 38 38 PHE N N 38 121.517 121.517 119.434 2.083 25177 5090 1 13 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.132 0.061 25177 5091 1 13 . 1 1 38 38 PHE C C 38 177.044 177.044 177.723 -0.679 25177 5092 1 13 . 1 1 38 38 PHE CA C 38 61.485 61.485 62.120 -0.635 25177 5093 1 13 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.965 0.112 25177 5094 1 13 . 1 1 38 38 PHE H H 38 7.751 7.751 8.248 -0.497 25177 5095 1 13 . 1 1 39 39 GLU N N 39 118.815 118.815 118.098 0.717 25177 5096 1 13 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.945 -0.307 25177 5097 1 13 . 1 1 39 39 GLU C C 39 179.591 179.591 178.914 0.677 25177 5098 1 13 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.643 0.778 25177 5099 1 13 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.247 0.615 25177 5100 1 13 . 1 1 39 39 GLU H H 39 8.746 8.746 8.519 0.227 25177 5101 1 13 . 1 1 40 40 SER N N 40 115.384 115.384 115.485 -0.101 25177 5102 1 13 . 1 1 40 40 SER HA H 40 4.176 4.176 4.198 -0.022 25177 5103 1 13 . 1 1 40 40 SER C C 40 177.354 177.354 176.757 0.597 25177 5104 1 13 . 1 1 40 40 SER CA C 40 61.771 61.771 61.354 0.417 25177 5105 1 13 . 1 1 40 40 SER CB C 40 62.786 62.786 63.016 -0.230 25177 5106 1 13 . 1 1 40 40 SER H H 40 8.171 8.171 8.151 0.020 25177 5107 1 13 . 1 1 41 41 GLU N N 41 123.650 123.650 120.653 2.997 25177 5108 1 13 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.130 -0.057 25177 5109 1 13 . 1 1 41 41 GLU C C 41 179.360 179.360 178.309 1.051 25177 5110 1 13 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.245 1.265 25177 5111 1 13 . 1 1 41 41 GLU CB C 41 29.521 29.521 29.873 -0.352 25177 5112 1 13 . 1 1 41 41 GLU H H 41 7.819 7.819 7.889 -0.070 25177 5113 1 13 . 1 1 42 42 LEU N N 42 119.352 119.352 118.544 0.808 25177 5114 1 13 . 1 1 42 42 LEU HA H 42 3.767 3.767 3.976 -0.209 25177 5115 1 13 . 1 1 42 42 LEU C C 42 179.152 179.152 179.435 -0.283 25177 5116 1 13 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.391 -0.427 25177 5117 1 13 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.295 -0.803 25177 5118 1 13 . 1 1 42 42 LEU H H 42 7.816 7.816 7.959 -0.143 25177 5119 1 13 . 1 1 43 43 GLN N N 43 118.423 118.423 119.668 -1.245 25177 5120 1 13 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.082 -0.124 25177 5121 1 13 . 1 1 43 43 GLN C C 43 177.081 177.081 176.705 0.376 25177 5122 1 13 . 1 1 43 43 GLN CA C 43 58.165 58.165 58.224 -0.059 25177 5123 1 13 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.067 0.140 25177 5124 1 13 . 1 1 43 43 GLN H H 43 7.785 7.785 8.060 -0.275 25177 5125 1 13 . 1 1 44 44 ALA N N 44 120.300 120.300 119.658 0.642 25177 5126 1 13 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.140 0.021 25177 5127 1 13 . 1 1 44 44 ALA C C 44 177.823 177.823 178.469 -0.646 25177 5128 1 13 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.301 -0.145 25177 5129 1 13 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.165 0.260 25177 5130 1 13 . 1 1 44 44 ALA H H 44 7.380 7.380 7.355 0.025 25177 5131 1 13 . 1 1 45 45 TYR N N 45 118.887 118.887 118.182 0.705 25177 5132 1 13 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.177 0.196 25177 5133 1 13 . 1 1 45 45 TYR C C 45 176.018 176.018 177.432 -1.414 25177 5134 1 13 . 1 1 45 45 TYR CA C 45 58.749 58.749 60.441 -1.692 25177 5135 1 13 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.509 0.288 25177 5136 1 13 . 1 1 45 45 TYR H H 45 7.438 7.438 7.348 0.090 25177 5137 1 13 . 1 1 46 46 LYS N N 46 124.177 124.177 114.747 9.430 25177 5138 1 13 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.341 -0.155 25177 5139 1 13 . 1 1 46 46 LYS C C 46 176.900 176.900 177.656 -0.756 25177 5140 1 13 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.757 -0.039 25177 5141 1 13 . 1 1 46 46 LYS CB C 46 32.774 32.774 33.840 -1.065 25177 5142 1 13 . 1 1 46 46 LYS H H 46 7.884 7.884 8.186 -0.302 25177 5143 1 13 . 1 1 47 47 GLY N N 47 109.590 109.590 109.072 0.518 25177 5144 1 13 . 1 1 47 47 GLY C C 47 174.029 174.029 175.093 -1.064 25177 5145 1 13 . 1 1 47 47 GLY CA C 47 45.597 45.597 46.714 -1.117 25177 5146 1 13 . 1 1 47 47 GLY H H 47 7.662 7.662 8.541 -0.879 25177 5147 1 13 . 1 1 48 48 LYS N N 48 120.521 120.521 122.380 -1.859 25177 5148 1 13 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.258 -0.337 25177 5149 1 13 . 1 1 48 48 LYS C C 48 177.262 177.262 179.059 -1.797 25177 5150 1 13 . 1 1 48 48 LYS CA C 48 56.345 56.345 56.798 -0.453 25177 5151 1 13 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.402 0.476 25177 5152 1 13 . 1 1 48 48 LYS H H 48 8.049 8.049 8.097 -0.048 25177 5153 1 13 . 1 1 49 49 GLY N N 49 110.678 110.678 108.710 1.968 25177 5154 1 13 . 1 1 49 49 GLY C C 49 173.842 173.842 174.804 -0.962 25177 5155 1 13 . 1 1 49 49 GLY CA C 49 45.585 45.585 46.265 -0.680 25177 5156 1 13 . 1 1 49 49 GLY H H 49 8.604 8.604 8.452 0.152 25177 5157 1 13 . 1 1 50 50 ASN N N 50 120.298 120.298 115.816 4.482 25177 5158 1 13 . 1 1 50 50 ASN HA H 50 4.956 4.956 5.077 -0.121 25177 5159 1 13 . 1 1 50 50 ASN C C 50 177.904 177.904 173.777 4.127 25177 5160 1 13 . 1 1 50 50 ASN CA C 50 51.649 51.649 50.976 0.673 25177 5161 1 13 . 1 1 50 50 ASN CB C 50 38.943 38.943 40.130 -1.187 25177 5162 1 13 . 1 1 50 50 ASN H H 50 8.045 8.045 7.652 0.393 25177 5163 1 13 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.451 -0.179 25177 5164 1 13 . 1 1 51 51 PRO C C 51 178.931 178.931 177.667 1.264 25177 5165 1 13 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.547 0.562 25177 5166 1 13 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.217 -0.383 25177 5167 1 13 . 1 1 52 52 GLU N N 52 119.291 119.291 119.361 -0.070 25177 5168 1 13 . 1 1 52 52 GLU HA H 52 4.059 4.059 4.080 -0.021 25177 5169 1 13 . 1 1 52 52 GLU C C 52 178.805 178.805 178.557 0.248 25177 5170 1 13 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.388 -0.215 25177 5171 1 13 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.573 0.112 25177 5172 1 13 . 1 1 52 52 GLU H H 52 8.344 8.344 8.596 -0.252 25177 5173 1 13 . 1 1 53 53 VAL N N 53 120.013 120.013 119.455 0.558 25177 5174 1 13 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.770 -0.268 25177 5175 1 13 . 1 1 53 53 VAL C C 53 177.587 177.587 178.169 -0.582 25177 5176 1 13 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.569 0.377 25177 5177 1 13 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.064 0.411 25177 5178 1 13 . 1 1 53 53 VAL H H 53 7.304 7.304 7.806 -0.502 25177 5179 1 13 . 1 1 54 54 GLU N N 54 119.848 119.848 120.259 -0.411 25177 5180 1 13 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.126 -0.078 25177 5181 1 13 . 1 1 54 54 GLU C C 54 178.910 178.910 178.305 0.605 25177 5182 1 13 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.358 -0.501 25177 5183 1 13 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.623 0.076 25177 5184 1 13 . 1 1 54 54 GLU H H 54 7.820 7.820 8.166 -0.346 25177 5185 1 13 . 1 1 55 55 ALA N N 55 121.463 121.463 122.976 -1.513 25177 5186 1 13 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.229 -0.084 25177 5187 1 13 . 1 1 55 55 ALA C C 55 180.920 180.920 179.723 1.197 25177 5188 1 13 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.939 0.320 25177 5189 1 13 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.538 -0.738 25177 5190 1 13 . 1 1 55 55 ALA H H 55 7.701 7.701 7.828 -0.127 25177 5191 1 13 . 1 1 56 56 LEU N N 56 120.343 120.343 120.179 0.164 25177 5192 1 13 . 1 1 56 56 LEU HA H 56 4.145 4.145 4.130 0.015 25177 5193 1 13 . 1 1 56 56 LEU C C 56 178.721 178.721 179.348 -0.627 25177 5194 1 13 . 1 1 56 56 LEU CA C 56 57.899 57.899 57.888 0.011 25177 5195 1 13 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.314 0.884 25177 5196 1 13 . 1 1 56 56 LEU H H 56 7.656 7.656 7.797 -0.141 25177 5197 1 13 . 1 1 57 57 ARG N N 57 119.950 119.950 119.207 0.743 25177 5198 1 13 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.979 -0.158 25177 5199 1 13 . 1 1 57 57 ARG C C 57 179.667 179.667 178.185 1.482 25177 5200 1 13 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.304 0.883 25177 5201 1 13 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.962 -0.777 25177 5202 1 13 . 1 1 57 57 ARG H H 57 8.350 8.350 8.437 -0.087 25177 5203 1 13 . 1 1 58 58 LYS N N 58 120.501 120.501 120.286 0.215 25177 5204 1 13 . 1 1 58 58 LYS HA H 58 4.030 4.030 3.995 0.035 25177 5205 1 13 . 1 1 58 58 LYS C C 58 179.448 179.448 178.745 0.703 25177 5206 1 13 . 1 1 58 58 LYS CA C 58 59.578 59.578 60.074 -0.496 25177 5207 1 13 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.269 0.100 25177 5208 1 13 . 1 1 58 58 LYS H H 58 7.989 7.989 7.946 0.043 25177 5209 1 13 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.886 0.258 25177 5210 1 13 . 1 1 59 59 GLU C C 59 178.877 178.877 178.907 -0.030 25177 5211 1 13 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.555 -0.136 25177 5212 1 13 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.470 -0.237 25177 5213 1 13 . 1 1 59 59 GLU H H 59 7.891 7.891 8.089 -0.198 25177 5214 1 13 . 1 1 60 60 ALA N N 60 122.069 122.069 121.832 0.237 25177 5215 1 13 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.963 -0.027 25177 5216 1 13 . 1 1 60 60 ALA C C 60 178.379 178.379 179.562 -1.183 25177 5217 1 13 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.108 -0.214 25177 5218 1 13 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.114 -0.586 25177 5219 1 13 . 1 1 60 60 ALA H H 60 8.480 8.480 8.049 0.431 25177 5220 1 13 . 1 1 61 61 ALA N N 61 121.446 121.446 121.341 0.105 25177 5221 1 13 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.963 0.182 25177 5222 1 13 . 1 1 61 61 ALA C C 61 178.579 178.579 179.348 -0.769 25177 5223 1 13 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.974 0.466 25177 5224 1 13 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.448 -0.282 25177 5225 1 13 . 1 1 61 61 ALA H H 61 7.702 7.702 8.052 -0.350 25177 5226 1 13 . 1 1 62 62 ALA N N 62 119.705 119.705 121.468 -1.763 25177 5227 1 13 . 1 1 62 62 ALA HA H 62 4.032 4.032 3.942 0.090 25177 5228 1 13 . 1 1 62 62 ALA C C 62 180.829 180.829 179.532 1.297 25177 5229 1 13 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.953 -0.158 25177 5230 1 13 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.449 -0.777 25177 5231 1 13 . 1 1 62 62 ALA H H 62 7.818 7.818 7.723 0.095 25177 5232 1 13 . 1 1 63 63 ILE N N 63 121.021 121.021 119.760 1.261 25177 5233 1 13 . 1 1 63 63 ILE HA H 63 3.851 3.851 4.118 -0.267 25177 5234 1 13 . 1 1 63 63 ILE C C 63 178.076 178.076 178.003 0.073 25177 5235 1 13 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.295 -0.607 25177 5236 1 13 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.629 0.326 25177 5237 1 13 . 1 1 63 63 ILE H H 63 7.876 7.876 8.146 -0.270 25177 5238 1 13 . 1 1 64 64 ARG N N 64 121.460 121.460 120.500 0.960 25177 5239 1 13 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.916 -0.025 25177 5240 1 13 . 1 1 64 64 ARG C C 64 178.617 178.617 177.939 0.678 25177 5241 1 13 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.034 1.293 25177 5242 1 13 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.323 -0.001 25177 5243 1 13 . 1 1 64 64 ARG H H 64 8.023 8.023 8.152 -0.129 25177 5244 1 13 . 1 1 65 65 ASP N N 65 119.343 119.343 119.467 -0.124 25177 5245 1 13 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.354 0.031 25177 5246 1 13 . 1 1 65 65 ASP C C 65 178.827 178.827 178.950 -0.123 25177 5247 1 13 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.089 0.224 25177 5248 1 13 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.200 0.163 25177 5249 1 13 . 1 1 65 65 ASP H H 65 8.046 8.046 8.183 -0.137 25177 5250 1 13 . 1 1 66 66 GLU N N 66 121.291 121.291 120.024 1.267 25177 5251 1 13 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.620 0.418 25177 5252 1 13 . 1 1 66 66 GLU C C 66 178.410 178.410 178.647 -0.237 25177 5253 1 13 . 1 1 66 66 GLU CA C 66 58.893 58.893 58.959 -0.066 25177 5254 1 13 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.475 0.001 25177 5255 1 13 . 1 1 66 66 GLU H H 66 7.931 7.931 7.950 -0.019 25177 5256 1 13 . 1 1 67 67 CYS N N 67 117.825 117.825 117.517 0.308 25177 5257 1 13 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.079 0.120 25177 5258 1 13 . 1 1 67 67 CYS C C 67 176.095 176.095 177.091 -0.996 25177 5259 1 13 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.422 -2.937 25177 5260 1 13 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.065 -0.054 25177 5261 1 13 . 1 1 67 67 CYS H H 67 8.009 8.009 8.066 -0.057 25177 5262 1 13 . 1 1 68 68 GLN N N 68 118.847 118.847 118.070 0.777 25177 5263 1 13 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.090 0.027 25177 5264 1 13 . 1 1 68 68 GLN C C 68 177.110 177.110 177.666 -0.556 25177 5265 1 13 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.330 -0.876 25177 5266 1 13 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.428 -0.080 25177 5267 1 13 . 1 1 68 68 GLN H H 68 7.906 7.906 7.949 -0.043 25177 5268 1 13 . 1 1 69 69 ALA N N 69 122.260 122.260 119.002 3.258 25177 5269 1 13 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.192 -0.089 25177 5270 1 13 . 1 1 69 69 ALA C C 69 178.367 178.367 178.080 0.287 25177 5271 1 13 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.355 0.327 25177 5272 1 13 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.502 -0.305 25177 5273 1 13 . 1 1 69 69 ALA H H 69 7.648 7.648 7.459 0.189 25177 5274 1 13 . 1 1 70 70 TYR N N 70 117.039 117.039 117.012 0.027 25177 5275 1 13 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.577 -0.167 25177 5276 1 13 . 1 1 70 70 TYR C C 70 176.061 176.061 177.010 -0.949 25177 5277 1 13 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.642 -0.186 25177 5278 1 13 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.802 -1.591 25177 5279 1 13 . 1 1 70 70 TYR H H 70 7.541 7.541 7.270 0.271 25177 5280 1 13 . 1 1 71 71 ARG N N 71 120.503 120.503 118.669 1.834 25177 5281 1 13 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.543 -0.299 25177 5282 1 13 . 1 1 71 71 ARG C C 71 175.759 175.759 175.293 0.466 25177 5283 1 13 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.213 -0.193 25177 5284 1 13 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.798 -0.169 25177 5285 1 13 . 1 1 71 71 ARG H H 71 7.541 7.541 8.103 -0.562 25177 5286 1 13 . 1 1 72 72 HIS N N 72 120.119 120.119 116.294 3.825 25177 5287 1 13 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.617 0.047 25177 5288 1 13 . 1 1 72 72 HIS C C 72 173.738 173.738 173.067 0.671 25177 5289 1 13 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.361 -0.968 25177 5290 1 13 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.921 -0.160 25177 5291 1 13 . 1 1 72 72 HIS H H 72 8.126 8.126 8.257 -0.131 25177 5292 1 14 . 1 1 3 3 SER HA H 3 4.362 4.362 4.938 -0.576 25177 5293 1 14 . 1 1 3 3 SER C C 3 176.187 176.187 174.831 1.356 25177 5294 1 14 . 1 1 3 3 SER CA C 3 55.064 55.064 57.565 -2.501 25177 5295 1 14 . 1 1 3 3 SER CB C 3 61.154 61.154 63.093 -1.938 25177 5296 1 14 . 1 1 4 4 TRP N N 4 122.487 122.487 124.523 -2.036 25177 5297 1 14 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.468 0.064 25177 5298 1 14 . 1 1 4 4 TRP C C 4 177.481 177.481 176.318 1.163 25177 5299 1 14 . 1 1 4 4 TRP CA C 4 59.541 59.541 61.325 -1.784 25177 5300 1 14 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.694 -0.137 25177 5301 1 14 . 1 1 4 4 TRP H H 4 8.287 8.287 7.616 0.671 25177 5302 1 14 . 1 1 5 5 ALA N N 5 121.306 121.306 121.185 0.121 25177 5303 1 14 . 1 1 5 5 ALA HA H 5 3.882 3.882 4.047 -0.165 25177 5304 1 14 . 1 1 5 5 ALA C C 5 180.462 180.462 179.767 0.695 25177 5305 1 14 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.764 -0.366 25177 5306 1 14 . 1 1 5 5 ALA CB C 5 18.029 18.029 18.011 0.018 25177 5307 1 14 . 1 1 5 5 ALA H H 5 8.287 8.287 8.630 -0.343 25177 5308 1 14 . 1 1 6 6 GLU N N 6 118.841 118.841 119.302 -0.461 25177 5309 1 14 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.068 -0.006 25177 5310 1 14 . 1 1 6 6 GLU C C 6 179.425 179.425 178.871 0.554 25177 5311 1 14 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.974 -0.732 25177 5312 1 14 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.470 -0.253 25177 5313 1 14 . 1 1 6 6 GLU H H 6 7.805 7.805 8.488 -0.683 25177 5314 1 14 . 1 1 7 7 PHE N N 7 120.314 120.314 119.382 0.932 25177 5315 1 14 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.288 0.077 25177 5316 1 14 . 1 1 7 7 PHE C C 7 178.168 178.168 177.995 0.173 25177 5317 1 14 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.992 -0.591 25177 5318 1 14 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.997 0.177 25177 5319 1 14 . 1 1 7 7 PHE H H 7 7.950 7.950 7.960 -0.010 25177 5320 1 14 . 1 1 8 8 LYS N N 8 119.370 119.370 119.170 0.200 25177 5321 1 14 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.850 -0.043 25177 5322 1 14 . 1 1 8 8 LYS C C 8 179.501 179.501 179.263 0.238 25177 5323 1 14 . 1 1 8 8 LYS CA C 8 60.102 60.102 58.996 1.106 25177 5324 1 14 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.649 0.144 25177 5325 1 14 . 1 1 8 8 LYS H H 8 8.214 8.214 8.389 -0.175 25177 5326 1 14 . 1 1 9 9 GLN N N 9 120.219 120.219 119.410 0.809 25177 5327 1 14 . 1 1 9 9 GLN HA H 9 4.075 4.075 4.011 0.064 25177 5328 1 14 . 1 1 9 9 GLN C C 9 178.818 178.818 178.493 0.325 25177 5329 1 14 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.521 -0.923 25177 5330 1 14 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.729 -0.629 25177 5331 1 14 . 1 1 9 9 GLN H H 9 7.859 7.859 8.196 -0.337 25177 5332 1 14 . 1 1 10 10 ARG N N 10 122.005 122.005 120.027 1.978 25177 5333 1 14 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.953 0.100 25177 5334 1 14 . 1 1 10 10 ARG C C 10 179.057 179.057 179.029 0.028 25177 5335 1 14 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.638 -0.563 25177 5336 1 14 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.977 0.557 25177 5337 1 14 . 1 1 10 10 ARG H H 10 8.135 8.135 8.019 0.116 25177 5338 1 14 . 1 1 11 11 LEU N N 11 120.796 120.796 119.636 1.160 25177 5339 1 14 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.867 -0.226 25177 5340 1 14 . 1 1 11 11 LEU C C 11 177.921 177.921 178.473 -0.552 25177 5341 1 14 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.699 -0.473 25177 5342 1 14 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.438 -0.834 25177 5343 1 14 . 1 1 11 11 LEU H H 11 8.066 8.066 8.067 -0.001 25177 5344 1 14 . 1 1 12 12 ALA N N 12 121.596 121.596 122.018 -0.422 25177 5345 1 14 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.857 0.156 25177 5346 1 14 . 1 1 12 12 ALA C C 12 180.299 180.299 179.219 1.080 25177 5347 1 14 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.188 -0.133 25177 5348 1 14 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.983 -0.552 25177 5349 1 14 . 1 1 12 12 ALA H H 12 7.670 7.670 8.059 -0.389 25177 5350 1 14 . 1 1 13 13 ALA N N 13 121.486 121.486 121.369 0.117 25177 5351 1 14 . 1 1 13 13 ALA HA H 13 4.162 4.162 4.021 0.141 25177 5352 1 14 . 1 1 13 13 ALA C C 13 180.732 180.732 179.601 1.131 25177 5353 1 14 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.993 -0.112 25177 5354 1 14 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.324 -0.508 25177 5355 1 14 . 1 1 13 13 ALA H H 13 7.601 7.601 7.970 -0.369 25177 5356 1 14 . 1 1 14 14 ILE N N 14 121.912 121.912 118.828 3.084 25177 5357 1 14 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.507 0.167 25177 5358 1 14 . 1 1 14 14 ILE C C 14 177.883 177.883 177.815 0.068 25177 5359 1 14 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.492 0.329 25177 5360 1 14 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.612 0.466 25177 5361 1 14 . 1 1 14 14 ILE H H 14 7.843 7.843 8.093 -0.250 25177 5362 1 14 . 1 1 15 15 LYS N N 15 121.705 121.705 120.148 1.557 25177 5363 1 14 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.766 0.071 25177 5364 1 14 . 1 1 15 15 LYS C C 15 178.896 178.896 178.839 0.057 25177 5365 1 14 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.067 0.371 25177 5366 1 14 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.242 -0.125 25177 5367 1 14 . 1 1 15 15 LYS H H 15 8.439 8.439 8.180 0.259 25177 5368 1 14 . 1 1 16 16 THR N N 16 115.218 115.218 116.364 -1.146 25177 5369 1 14 . 1 1 16 16 THR HA H 16 3.919 3.919 3.958 -0.039 25177 5370 1 14 . 1 1 16 16 THR C C 16 176.872 176.872 177.031 -0.159 25177 5371 1 14 . 1 1 16 16 THR CA C 16 66.297 66.297 66.748 -0.451 25177 5372 1 14 . 1 1 16 16 THR CB C 16 69.045 69.045 68.424 0.621 25177 5373 1 14 . 1 1 16 16 THR H H 16 7.936 7.936 8.094 -0.158 25177 5374 1 14 . 1 1 17 17 ARG N N 17 122.508 122.508 121.579 0.929 25177 5375 1 14 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.087 -0.068 25177 5376 1 14 . 1 1 17 17 ARG C C 17 178.281 178.281 178.775 -0.494 25177 5377 1 14 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.084 -0.114 25177 5378 1 14 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.716 0.422 25177 5379 1 14 . 1 1 17 17 ARG H H 17 7.781 7.781 8.041 -0.260 25177 5380 1 14 . 1 1 18 18 CYS N N 18 119.296 119.296 117.086 2.210 25177 5381 1 14 . 1 1 18 18 CYS HA H 18 3.474 3.474 3.987 -0.513 25177 5382 1 14 . 1 1 18 18 CYS C C 18 176.151 176.151 176.630 -0.479 25177 5383 1 14 . 1 1 18 18 CYS CA C 18 61.355 61.355 62.803 -1.448 25177 5384 1 14 . 1 1 18 18 CYS CB C 18 26.572 26.572 26.959 -0.387 25177 5385 1 14 . 1 1 18 18 CYS H H 18 8.158 8.158 7.657 0.501 25177 5386 1 14 . 1 1 19 19 GLN N N 19 116.825 116.825 118.507 -1.682 25177 5387 1 14 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.205 -0.166 25177 5388 1 14 . 1 1 19 19 GLN C C 19 176.178 176.178 177.550 -1.372 25177 5389 1 14 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.483 -1.104 25177 5390 1 14 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.045 -0.761 25177 5391 1 14 . 1 1 19 19 GLN H H 19 7.523 7.523 7.982 -0.459 25177 5392 1 14 . 1 1 20 20 ALA N N 20 121.265 121.265 119.788 1.477 25177 5393 1 14 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.181 0.180 25177 5394 1 14 . 1 1 20 20 ALA C C 20 177.491 177.491 177.942 -0.451 25177 5395 1 14 . 1 1 20 20 ALA CA C 20 51.870 51.870 53.040 -1.170 25177 5396 1 14 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.359 -0.168 25177 5397 1 14 . 1 1 20 20 ALA H H 20 7.322 7.322 7.812 -0.490 25177 5398 1 14 . 1 1 21 21 LEU N N 21 120.570 120.570 115.847 4.723 25177 5399 1 14 . 1 1 21 21 LEU HA H 21 4.030 4.030 4.002 0.028 25177 5400 1 14 . 1 1 21 21 LEU C C 21 177.889 177.889 177.178 0.711 25177 5401 1 14 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.429 0.531 25177 5402 1 14 . 1 1 21 21 LEU CB C 21 42.488 42.488 38.975 3.513 25177 5403 1 14 . 1 1 21 21 LEU H H 21 7.200 7.200 7.863 -0.663 25177 5404 1 14 . 1 1 22 22 GLY N N 22 109.881 109.881 104.584 5.297 25177 5405 1 14 . 1 1 22 22 GLY C C 22 174.896 174.896 174.861 0.035 25177 5406 1 14 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.535 1.027 25177 5407 1 14 . 1 1 22 22 GLY H H 22 8.454 8.454 8.112 0.342 25177 5408 1 14 . 1 1 23 23 GLY N N 23 107.014 107.014 109.522 -2.508 25177 5409 1 14 . 1 1 23 23 GLY C C 23 174.347 174.347 174.232 0.115 25177 5410 1 14 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.188 0.326 25177 5411 1 14 . 1 1 23 23 GLY H H 23 7.759 7.759 8.465 -0.706 25177 5412 1 14 . 1 1 24 24 SER N N 24 116.572 116.572 113.311 3.261 25177 5413 1 14 . 1 1 24 24 SER HA H 24 4.519 4.519 4.568 -0.049 25177 5414 1 14 . 1 1 24 24 SER C C 24 175.184 175.184 173.375 1.809 25177 5415 1 14 . 1 1 24 24 SER CA C 24 57.853 57.853 57.351 0.502 25177 5416 1 14 . 1 1 24 24 SER CB C 24 64.487 64.487 64.903 -0.417 25177 5417 1 14 . 1 1 24 24 SER H H 24 8.096 8.096 7.587 0.509 25177 5418 1 14 . 1 1 25 25 GLU N N 25 126.083 126.083 124.028 2.055 25177 5419 1 14 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.069 -0.216 25177 5420 1 14 . 1 1 25 25 GLU C C 25 178.773 178.773 177.259 1.514 25177 5421 1 14 . 1 1 25 25 GLU CA C 25 59.974 59.974 59.123 0.851 25177 5422 1 14 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.638 -0.456 25177 5423 1 14 . 1 1 25 25 GLU H H 25 9.042 9.042 8.781 0.261 25177 5424 1 14 . 1 1 26 26 ALA N N 26 121.614 121.614 121.107 0.507 25177 5425 1 14 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.314 -0.167 25177 5426 1 14 . 1 1 26 26 ALA C C 26 180.987 180.987 179.853 1.134 25177 5427 1 14 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.850 1.141 25177 5428 1 14 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.131 -0.032 25177 5429 1 14 . 1 1 26 26 ALA H H 26 8.514 8.514 7.993 0.521 25177 5430 1 14 . 1 1 27 27 GLU N N 27 119.564 119.564 120.170 -0.606 25177 5431 1 14 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.953 0.158 25177 5432 1 14 . 1 1 27 27 GLU C C 27 179.198 179.198 178.680 0.518 25177 5433 1 14 . 1 1 27 27 GLU CA C 27 58.826 58.826 58.928 -0.102 25177 5434 1 14 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.762 1.196 25177 5435 1 14 . 1 1 27 27 GLU H H 27 7.757 7.757 8.598 -0.841 25177 5436 1 14 . 1 1 28 28 CYS N N 28 120.060 120.060 117.372 2.688 25177 5437 1 14 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.365 -0.234 25177 5438 1 14 . 1 1 28 28 CYS C C 28 176.521 176.521 176.888 -0.367 25177 5439 1 14 . 1 1 28 28 CYS CA C 28 63.711 63.711 62.763 0.948 25177 5440 1 14 . 1 1 28 28 CYS CB C 28 26.601 26.601 25.788 0.813 25177 5441 1 14 . 1 1 28 28 CYS H H 28 8.145 8.145 7.786 0.359 25177 5442 1 14 . 1 1 29 29 ALA N N 29 122.930 122.930 122.727 0.203 25177 5443 1 14 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.975 0.235 25177 5444 1 14 . 1 1 29 29 ALA C C 29 179.659 179.659 178.829 0.830 25177 5445 1 14 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.242 -0.348 25177 5446 1 14 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.828 -0.127 25177 5447 1 14 . 1 1 29 29 ALA H H 29 8.342 8.342 7.862 0.480 25177 5448 1 14 . 1 1 30 30 ALA N N 30 121.235 121.235 121.100 0.135 25177 5449 1 14 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.970 0.255 25177 5450 1 14 . 1 1 30 30 ALA C C 30 180.452 180.452 179.645 0.807 25177 5451 1 14 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.739 0.221 25177 5452 1 14 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.024 -0.275 25177 5453 1 14 . 1 1 30 30 ALA H H 30 7.676 7.676 7.629 0.047 25177 5454 1 14 . 1 1 31 31 PHE N N 31 121.297 121.297 118.550 2.747 25177 5455 1 14 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.094 0.247 25177 5456 1 14 . 1 1 31 31 PHE C C 31 177.355 177.355 177.937 -0.582 25177 5457 1 14 . 1 1 31 31 PHE CA C 31 61.019 61.019 61.082 -0.063 25177 5458 1 14 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.396 0.918 25177 5459 1 14 . 1 1 31 31 PHE H H 31 8.086 8.086 7.905 0.181 25177 5460 1 14 . 1 1 32 32 GLU N N 32 119.861 119.861 119.737 0.124 25177 5461 1 14 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.848 -0.064 25177 5462 1 14 . 1 1 32 32 GLU C C 32 178.906 178.906 179.010 -0.104 25177 5463 1 14 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.224 -0.280 25177 5464 1 14 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.510 -0.567 25177 5465 1 14 . 1 1 32 32 GLU H H 32 8.417 8.417 8.229 0.188 25177 5466 1 14 . 1 1 33 33 LYS N N 33 118.133 118.133 119.250 -1.117 25177 5467 1 14 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.971 0.073 25177 5468 1 14 . 1 1 33 33 LYS C C 33 179.471 179.471 178.890 0.581 25177 5469 1 14 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.654 -0.257 25177 5470 1 14 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.279 -0.048 25177 5471 1 14 . 1 1 33 33 LYS H H 33 7.491 7.491 7.888 -0.397 25177 5472 1 14 . 1 1 34 34 GLU N N 34 121.763 121.763 120.049 1.714 25177 5473 1 14 . 1 1 34 34 GLU HA H 34 4.117 4.117 4.018 0.099 25177 5474 1 14 . 1 1 34 34 GLU C C 34 179.955 179.955 179.234 0.721 25177 5475 1 14 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.593 -0.077 25177 5476 1 14 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.584 -0.121 25177 5477 1 14 . 1 1 34 34 GLU H H 34 7.699 7.699 7.950 -0.251 25177 5478 1 14 . 1 1 35 35 ILE N N 35 121.167 121.167 119.340 1.827 25177 5479 1 14 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.678 0.105 25177 5480 1 14 . 1 1 35 35 ILE C C 35 177.219 177.219 178.122 -0.903 25177 5481 1 14 . 1 1 35 35 ILE CA C 35 63.961 63.961 64.101 -0.140 25177 5482 1 14 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.744 0.912 25177 5483 1 14 . 1 1 35 35 ILE H H 35 8.120 8.120 8.136 -0.016 25177 5484 1 14 . 1 1 36 36 ALA N N 36 124.132 124.132 123.000 1.132 25177 5485 1 14 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.259 0.087 25177 5486 1 14 . 1 1 36 36 ALA C C 36 180.915 180.915 179.774 1.141 25177 5487 1 14 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.072 -0.068 25177 5488 1 14 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.226 -0.466 25177 5489 1 14 . 1 1 36 36 ALA H H 36 8.161 8.161 8.032 0.129 25177 5490 1 14 . 1 1 37 37 ALA N N 37 121.980 121.980 121.000 0.980 25177 5491 1 14 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.136 0.054 25177 5492 1 14 . 1 1 37 37 ALA C C 37 180.126 180.126 179.732 0.394 25177 5493 1 14 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.826 0.214 25177 5494 1 14 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.379 -0.779 25177 5495 1 14 . 1 1 37 37 ALA H H 37 7.887 7.887 8.019 -0.132 25177 5496 1 14 . 1 1 38 38 PHE N N 38 121.517 121.517 119.114 2.403 25177 5497 1 14 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.176 0.017 25177 5498 1 14 . 1 1 38 38 PHE C C 38 177.044 177.044 177.723 -0.679 25177 5499 1 14 . 1 1 38 38 PHE CA C 38 61.485 61.485 61.644 -0.159 25177 5500 1 14 . 1 1 38 38 PHE CB C 38 39.077 39.077 39.121 -0.044 25177 5501 1 14 . 1 1 38 38 PHE H H 38 7.751 7.751 8.357 -0.606 25177 5502 1 14 . 1 1 39 39 GLU N N 39 118.815 118.815 117.879 0.936 25177 5503 1 14 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.929 -0.291 25177 5504 1 14 . 1 1 39 39 GLU C C 39 179.591 179.591 178.821 0.770 25177 5505 1 14 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.640 0.781 25177 5506 1 14 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.106 0.756 25177 5507 1 14 . 1 1 39 39 GLU H H 39 8.746 8.746 8.583 0.163 25177 5508 1 14 . 1 1 40 40 SER N N 40 115.384 115.384 115.375 0.009 25177 5509 1 14 . 1 1 40 40 SER HA H 40 4.176 4.176 4.204 -0.028 25177 5510 1 14 . 1 1 40 40 SER C C 40 177.354 177.354 176.703 0.651 25177 5511 1 14 . 1 1 40 40 SER CA C 40 61.771 61.771 61.053 0.718 25177 5512 1 14 . 1 1 40 40 SER CB C 40 62.786 62.786 63.003 -0.217 25177 5513 1 14 . 1 1 40 40 SER H H 40 8.171 8.171 8.134 0.037 25177 5514 1 14 . 1 1 41 41 GLU N N 41 123.650 123.650 120.544 3.106 25177 5515 1 14 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.092 -0.019 25177 5516 1 14 . 1 1 41 41 GLU C C 41 179.360 179.360 178.727 0.633 25177 5517 1 14 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.635 0.875 25177 5518 1 14 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.042 -0.521 25177 5519 1 14 . 1 1 41 41 GLU H H 41 7.819 7.819 7.926 -0.107 25177 5520 1 14 . 1 1 42 42 LEU N N 42 119.352 119.352 118.208 1.144 25177 5521 1 14 . 1 1 42 42 LEU HA H 42 3.767 3.767 3.951 -0.184 25177 5522 1 14 . 1 1 42 42 LEU C C 42 179.152 179.152 178.507 0.645 25177 5523 1 14 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.413 -0.449 25177 5524 1 14 . 1 1 42 42 LEU CB C 42 41.492 41.492 41.841 -0.349 25177 5525 1 14 . 1 1 42 42 LEU H H 42 7.816 7.816 7.964 -0.148 25177 5526 1 14 . 1 1 43 43 GLN N N 43 118.423 118.423 118.720 -0.297 25177 5527 1 14 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.102 -0.144 25177 5528 1 14 . 1 1 43 43 GLN C C 43 177.081 177.081 176.678 0.403 25177 5529 1 14 . 1 1 43 43 GLN CA C 43 58.165 58.165 58.056 0.110 25177 5530 1 14 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.181 0.026 25177 5531 1 14 . 1 1 43 43 GLN H H 43 7.785 7.785 7.973 -0.188 25177 5532 1 14 . 1 1 44 44 ALA N N 44 120.300 120.300 120.020 0.280 25177 5533 1 14 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.109 0.052 25177 5534 1 14 . 1 1 44 44 ALA C C 44 177.823 177.823 178.298 -0.475 25177 5535 1 14 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.554 -0.398 25177 5536 1 14 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.096 0.329 25177 5537 1 14 . 1 1 44 44 ALA H H 44 7.380 7.380 7.341 0.039 25177 5538 1 14 . 1 1 45 45 TYR N N 45 118.887 118.887 118.172 0.715 25177 5539 1 14 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.175 0.198 25177 5540 1 14 . 1 1 45 45 TYR C C 45 176.018 176.018 176.598 -0.580 25177 5541 1 14 . 1 1 45 45 TYR CA C 45 58.749 58.749 59.817 -1.068 25177 5542 1 14 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.492 0.305 25177 5543 1 14 . 1 1 45 45 TYR H H 45 7.438 7.438 7.065 0.373 25177 5544 1 14 . 1 1 46 46 LYS N N 46 124.177 124.177 116.507 7.670 25177 5545 1 14 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.145 0.041 25177 5546 1 14 . 1 1 46 46 LYS C C 46 176.900 176.900 175.737 1.163 25177 5547 1 14 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.764 -0.046 25177 5548 1 14 . 1 1 46 46 LYS CB C 46 32.774 32.774 30.197 2.577 25177 5549 1 14 . 1 1 46 46 LYS H H 46 7.884 7.884 8.274 -0.390 25177 5550 1 14 . 1 1 47 47 GLY N N 47 109.590 109.590 107.345 2.245 25177 5551 1 14 . 1 1 47 47 GLY C C 47 174.029 174.029 174.289 -0.260 25177 5552 1 14 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.404 1.193 25177 5553 1 14 . 1 1 47 47 GLY H H 47 7.662 7.662 8.355 -0.693 25177 5554 1 14 . 1 1 48 48 LYS N N 48 120.521 120.521 121.394 -0.873 25177 5555 1 14 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.056 -0.135 25177 5556 1 14 . 1 1 48 48 LYS C C 48 177.262 177.262 176.889 0.373 25177 5557 1 14 . 1 1 48 48 LYS CA C 48 56.345 56.345 57.330 -0.985 25177 5558 1 14 . 1 1 48 48 LYS CB C 48 32.878 32.878 31.031 1.847 25177 5559 1 14 . 1 1 48 48 LYS H H 48 8.049 8.049 8.436 -0.387 25177 5560 1 14 . 1 1 49 49 GLY N N 49 110.678 110.678 112.556 -1.878 25177 5561 1 14 . 1 1 49 49 GLY C C 49 173.842 173.842 173.834 0.008 25177 5562 1 14 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.108 0.477 25177 5563 1 14 . 1 1 49 49 GLY H H 49 8.604 8.604 8.401 0.203 25177 5564 1 14 . 1 1 50 50 ASN N N 50 120.298 120.298 116.157 4.141 25177 5565 1 14 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.492 0.464 25177 5566 1 14 . 1 1 50 50 ASN C C 50 177.904 177.904 174.118 3.786 25177 5567 1 14 . 1 1 50 50 ASN CA C 50 51.649 51.649 53.109 -1.460 25177 5568 1 14 . 1 1 50 50 ASN CB C 50 38.943 38.943 37.045 1.898 25177 5569 1 14 . 1 1 50 50 ASN H H 50 8.045 8.045 8.271 -0.226 25177 5570 1 14 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.427 -0.155 25177 5571 1 14 . 1 1 51 51 PRO C C 51 178.931 178.931 178.527 0.404 25177 5572 1 14 . 1 1 51 51 PRO CA C 51 65.109 65.109 65.113 -0.004 25177 5573 1 14 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.106 -0.272 25177 5574 1 14 . 1 1 52 52 GLU N N 52 119.291 119.291 118.385 0.906 25177 5575 1 14 . 1 1 52 52 GLU HA H 52 4.059 4.059 4.227 -0.168 25177 5576 1 14 . 1 1 52 52 GLU C C 52 178.805 178.805 178.216 0.589 25177 5577 1 14 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.318 -0.145 25177 5578 1 14 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.287 0.398 25177 5579 1 14 . 1 1 52 52 GLU H H 52 8.344 8.344 8.885 -0.541 25177 5580 1 14 . 1 1 53 53 VAL N N 53 120.013 120.013 119.391 0.622 25177 5581 1 14 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.831 -0.329 25177 5582 1 14 . 1 1 53 53 VAL C C 53 177.587 177.587 177.474 0.113 25177 5583 1 14 . 1 1 53 53 VAL CA C 53 65.946 65.946 64.832 1.113 25177 5584 1 14 . 1 1 53 53 VAL CB C 53 31.475 31.475 30.844 0.631 25177 5585 1 14 . 1 1 53 53 VAL H H 53 7.304 7.304 7.924 -0.620 25177 5586 1 14 . 1 1 54 54 GLU N N 54 119.848 119.848 120.900 -1.052 25177 5587 1 14 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.011 0.037 25177 5588 1 14 . 1 1 54 54 GLU C C 54 178.910 178.910 178.299 0.611 25177 5589 1 14 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.784 -0.927 25177 5590 1 14 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.987 -0.288 25177 5591 1 14 . 1 1 54 54 GLU H H 54 7.820 7.820 8.247 -0.427 25177 5592 1 14 . 1 1 55 55 ALA N N 55 121.463 121.463 122.714 -1.251 25177 5593 1 14 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.212 -0.067 25177 5594 1 14 . 1 1 55 55 ALA C C 55 180.920 180.920 179.593 1.327 25177 5595 1 14 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.797 0.462 25177 5596 1 14 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.538 -0.738 25177 5597 1 14 . 1 1 55 55 ALA H H 55 7.701 7.701 7.592 0.109 25177 5598 1 14 . 1 1 56 56 LEU N N 56 120.343 120.343 118.995 1.348 25177 5599 1 14 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.919 0.226 25177 5600 1 14 . 1 1 56 56 LEU C C 56 178.721 178.721 179.075 -0.354 25177 5601 1 14 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.375 -0.476 25177 5602 1 14 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.421 0.777 25177 5603 1 14 . 1 1 56 56 LEU H H 56 7.656 7.656 7.540 0.116 25177 5604 1 14 . 1 1 57 57 ARG N N 57 119.950 119.950 119.151 0.799 25177 5605 1 14 . 1 1 57 57 ARG HA H 57 3.821 3.821 4.065 -0.244 25177 5606 1 14 . 1 1 57 57 ARG C C 57 179.667 179.667 178.350 1.317 25177 5607 1 14 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.153 1.034 25177 5608 1 14 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.841 -0.656 25177 5609 1 14 . 1 1 57 57 ARG H H 57 8.350 8.350 8.575 -0.225 25177 5610 1 14 . 1 1 58 58 LYS N N 58 120.501 120.501 120.063 0.438 25177 5611 1 14 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.023 0.007 25177 5612 1 14 . 1 1 58 58 LYS C C 58 179.448 179.448 178.999 0.449 25177 5613 1 14 . 1 1 58 58 LYS CA C 58 59.578 59.578 60.004 -0.426 25177 5614 1 14 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.284 0.085 25177 5615 1 14 . 1 1 58 58 LYS H H 58 7.989 7.989 7.933 0.056 25177 5616 1 14 . 1 1 59 59 GLU HA H 59 4.144 4.144 4.003 0.141 25177 5617 1 14 . 1 1 59 59 GLU C C 59 178.877 178.877 178.875 0.002 25177 5618 1 14 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.386 0.033 25177 5619 1 14 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.306 -0.073 25177 5620 1 14 . 1 1 59 59 GLU H H 59 7.891 7.891 8.243 -0.352 25177 5621 1 14 . 1 1 60 60 ALA N N 60 122.069 122.069 121.861 0.208 25177 5622 1 14 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.969 -0.033 25177 5623 1 14 . 1 1 60 60 ALA C C 60 178.379 178.379 179.660 -1.281 25177 5624 1 14 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.112 -0.218 25177 5625 1 14 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.080 -0.552 25177 5626 1 14 . 1 1 60 60 ALA H H 60 8.480 8.480 8.105 0.375 25177 5627 1 14 . 1 1 61 61 ALA N N 61 121.446 121.446 120.939 0.507 25177 5628 1 14 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.904 0.241 25177 5629 1 14 . 1 1 61 61 ALA C C 61 178.579 178.579 179.298 -0.719 25177 5630 1 14 . 1 1 61 61 ALA CA C 61 55.440 55.440 55.124 0.316 25177 5631 1 14 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.381 -0.215 25177 5632 1 14 . 1 1 61 61 ALA H H 61 7.702 7.702 7.995 -0.293 25177 5633 1 14 . 1 1 62 62 ALA N N 62 119.705 119.705 121.442 -1.737 25177 5634 1 14 . 1 1 62 62 ALA HA H 62 4.032 4.032 3.963 0.069 25177 5635 1 14 . 1 1 62 62 ALA C C 62 180.829 180.829 179.641 1.188 25177 5636 1 14 . 1 1 62 62 ALA CA C 62 54.795 54.795 55.036 -0.242 25177 5637 1 14 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.201 -0.529 25177 5638 1 14 . 1 1 62 62 ALA H H 62 7.818 7.818 7.800 0.018 25177 5639 1 14 . 1 1 63 63 ILE N N 63 121.021 121.021 119.259 1.762 25177 5640 1 14 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.517 0.334 25177 5641 1 14 . 1 1 63 63 ILE C C 63 178.076 178.076 177.923 0.153 25177 5642 1 14 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.698 -1.010 25177 5643 1 14 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.482 0.473 25177 5644 1 14 . 1 1 63 63 ILE H H 63 7.876 7.876 8.181 -0.305 25177 5645 1 14 . 1 1 64 64 ARG N N 64 121.460 121.460 120.145 1.315 25177 5646 1 14 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.833 0.058 25177 5647 1 14 . 1 1 64 64 ARG C C 64 178.617 178.617 178.297 0.320 25177 5648 1 14 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.110 0.217 25177 5649 1 14 . 1 1 64 64 ARG CB C 64 29.322 29.322 30.072 -0.750 25177 5650 1 14 . 1 1 64 64 ARG H H 64 8.023 8.023 8.097 -0.074 25177 5651 1 14 . 1 1 65 65 ASP N N 65 119.343 119.343 119.390 -0.047 25177 5652 1 14 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.306 0.079 25177 5653 1 14 . 1 1 65 65 ASP C C 65 178.827 178.827 178.803 0.024 25177 5654 1 14 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.552 -0.239 25177 5655 1 14 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.141 0.222 25177 5656 1 14 . 1 1 65 65 ASP H H 65 8.046 8.046 8.176 -0.130 25177 5657 1 14 . 1 1 66 66 GLU N N 66 121.291 121.291 119.608 1.683 25177 5658 1 14 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.628 0.410 25177 5659 1 14 . 1 1 66 66 GLU C C 66 178.410 178.410 178.722 -0.312 25177 5660 1 14 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.178 -0.285 25177 5661 1 14 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.539 -0.063 25177 5662 1 14 . 1 1 66 66 GLU H H 66 7.931 7.931 8.020 -0.089 25177 5663 1 14 . 1 1 67 67 CYS N N 67 117.825 117.825 116.385 1.440 25177 5664 1 14 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.252 -0.053 25177 5665 1 14 . 1 1 67 67 CYS C C 67 176.095 176.095 177.255 -1.160 25177 5666 1 14 . 1 1 67 67 CYS CA C 67 61.485 61.485 62.517 -1.032 25177 5667 1 14 . 1 1 67 67 CYS CB C 67 27.011 27.011 26.243 0.768 25177 5668 1 14 . 1 1 67 67 CYS H H 67 8.009 8.009 8.153 -0.144 25177 5669 1 14 . 1 1 68 68 GLN N N 68 118.847 118.847 117.868 0.979 25177 5670 1 14 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.245 -0.128 25177 5671 1 14 . 1 1 68 68 GLN C C 68 177.110 177.110 178.157 -1.047 25177 5672 1 14 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.423 -0.969 25177 5673 1 14 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.589 -0.241 25177 5674 1 14 . 1 1 68 68 GLN H H 68 7.906 7.906 7.876 0.030 25177 5675 1 14 . 1 1 69 69 ALA N N 69 122.260 122.260 121.315 0.945 25177 5676 1 14 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.261 -0.158 25177 5677 1 14 . 1 1 69 69 ALA C C 69 178.367 178.367 177.534 0.833 25177 5678 1 14 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.661 0.021 25177 5679 1 14 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.561 -0.365 25177 5680 1 14 . 1 1 69 69 ALA H H 69 7.648 7.648 7.621 0.027 25177 5681 1 14 . 1 1 70 70 TYR N N 70 117.039 117.039 116.309 0.730 25177 5682 1 14 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.650 -0.240 25177 5683 1 14 . 1 1 70 70 TYR C C 70 176.061 176.061 175.619 0.442 25177 5684 1 14 . 1 1 70 70 TYR CA C 70 58.456 58.456 57.037 1.419 25177 5685 1 14 . 1 1 70 70 TYR CB C 70 38.211 38.211 38.134 0.077 25177 5686 1 14 . 1 1 70 70 TYR H H 70 7.541 7.541 7.565 -0.024 25177 5687 1 14 . 1 1 71 71 ARG N N 71 120.503 120.503 117.300 3.203 25177 5688 1 14 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.320 -0.076 25177 5689 1 14 . 1 1 71 71 ARG C C 71 175.759 175.759 176.465 -0.706 25177 5690 1 14 . 1 1 71 71 ARG CA C 71 56.020 56.020 57.203 -1.183 25177 5691 1 14 . 1 1 71 71 ARG CB C 71 30.629 30.629 31.405 -0.776 25177 5692 1 14 . 1 1 71 71 ARG H H 71 7.541 7.541 7.769 -0.228 25177 5693 1 14 . 1 1 72 72 HIS N N 72 120.119 120.119 117.948 2.171 25177 5694 1 14 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.516 0.148 25177 5695 1 14 . 1 1 72 72 HIS C C 72 173.738 173.738 173.988 -0.250 25177 5696 1 14 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.760 -1.367 25177 5697 1 14 . 1 1 72 72 HIS CB C 72 29.761 29.761 30.188 -0.427 25177 5698 1 14 . 1 1 72 72 HIS H H 72 8.126 8.126 8.112 0.014 25177 5699 1 15 . 1 1 3 3 SER HA H 3 4.362 4.362 4.594 -0.232 25177 5700 1 15 . 1 1 3 3 SER C C 3 176.187 176.187 175.167 1.020 25177 5701 1 15 . 1 1 3 3 SER CA C 3 55.064 55.064 57.849 -2.785 25177 5702 1 15 . 1 1 3 3 SER CB C 3 61.154 61.154 62.821 -1.667 25177 5703 1 15 . 1 1 4 4 TRP N N 4 122.487 122.487 124.171 -1.684 25177 5704 1 15 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.388 0.144 25177 5705 1 15 . 1 1 4 4 TRP C C 4 177.481 177.481 176.465 1.016 25177 5706 1 15 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.922 -1.381 25177 5707 1 15 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.826 -0.269 25177 5708 1 15 . 1 1 4 4 TRP H H 4 8.287 8.287 7.586 0.701 25177 5709 1 15 . 1 1 5 5 ALA N N 5 121.306 121.306 121.055 0.251 25177 5710 1 15 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.952 -0.070 25177 5711 1 15 . 1 1 5 5 ALA C C 5 180.462 180.462 179.591 0.871 25177 5712 1 15 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.763 -0.365 25177 5713 1 15 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.874 0.155 25177 5714 1 15 . 1 1 5 5 ALA H H 5 8.287 8.287 8.656 -0.369 25177 5715 1 15 . 1 1 6 6 GLU N N 6 118.841 118.841 119.230 -0.389 25177 5716 1 15 . 1 1 6 6 GLU HA H 6 4.062 4.062 3.974 0.088 25177 5717 1 15 . 1 1 6 6 GLU C C 6 179.425 179.425 178.967 0.458 25177 5718 1 15 . 1 1 6 6 GLU CA C 6 59.242 59.242 60.069 -0.827 25177 5719 1 15 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.317 -0.101 25177 5720 1 15 . 1 1 6 6 GLU H H 6 7.805 7.805 8.434 -0.629 25177 5721 1 15 . 1 1 7 7 PHE N N 7 120.314 120.314 118.761 1.553 25177 5722 1 15 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.149 0.216 25177 5723 1 15 . 1 1 7 7 PHE C C 7 178.168 178.168 177.970 0.198 25177 5724 1 15 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.480 -0.079 25177 5725 1 15 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.762 0.412 25177 5726 1 15 . 1 1 7 7 PHE H H 7 7.950 7.950 7.697 0.253 25177 5727 1 15 . 1 1 8 8 LYS N N 8 119.370 119.370 119.639 -0.269 25177 5728 1 15 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.743 0.064 25177 5729 1 15 . 1 1 8 8 LYS C C 8 179.501 179.501 178.712 0.789 25177 5730 1 15 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.252 0.850 25177 5731 1 15 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.937 -0.144 25177 5732 1 15 . 1 1 8 8 LYS H H 8 8.214 8.214 8.325 -0.111 25177 5733 1 15 . 1 1 9 9 GLN N N 9 120.219 120.219 119.024 1.195 25177 5734 1 15 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.972 0.103 25177 5735 1 15 . 1 1 9 9 GLN C C 9 178.818 178.818 178.487 0.331 25177 5736 1 15 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.576 -0.978 25177 5737 1 15 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.751 -0.651 25177 5738 1 15 . 1 1 9 9 GLN H H 9 7.859 7.859 8.114 -0.255 25177 5739 1 15 . 1 1 10 10 ARG N N 10 122.005 122.005 119.641 2.364 25177 5740 1 15 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.885 0.168 25177 5741 1 15 . 1 1 10 10 ARG C C 10 179.057 179.057 178.764 0.293 25177 5742 1 15 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.532 -0.457 25177 5743 1 15 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.889 0.646 25177 5744 1 15 . 1 1 10 10 ARG H H 10 8.135 8.135 8.020 0.115 25177 5745 1 15 . 1 1 11 11 LEU N N 11 120.796 120.796 120.109 0.687 25177 5746 1 15 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.884 -0.243 25177 5747 1 15 . 1 1 11 11 LEU C C 11 177.921 177.921 178.079 -0.158 25177 5748 1 15 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.837 -0.611 25177 5749 1 15 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.807 -1.203 25177 5750 1 15 . 1 1 11 11 LEU H H 11 8.066 8.066 8.116 -0.050 25177 5751 1 15 . 1 1 12 12 ALA N N 12 121.596 121.596 121.690 -0.094 25177 5752 1 15 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.858 0.155 25177 5753 1 15 . 1 1 12 12 ALA C C 12 180.299 180.299 179.164 1.135 25177 5754 1 15 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.078 -0.023 25177 5755 1 15 . 1 1 12 12 ALA CB C 12 17.431 17.431 18.050 -0.619 25177 5756 1 15 . 1 1 12 12 ALA H H 12 7.670 7.670 8.039 -0.368 25177 5757 1 15 . 1 1 13 13 ALA N N 13 121.486 121.486 121.504 -0.018 25177 5758 1 15 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.976 0.186 25177 5759 1 15 . 1 1 13 13 ALA C C 13 180.732 180.732 179.346 1.386 25177 5760 1 15 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.957 -0.076 25177 5761 1 15 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.401 -0.585 25177 5762 1 15 . 1 1 13 13 ALA H H 13 7.601 7.601 7.810 -0.209 25177 5763 1 15 . 1 1 14 14 ILE N N 14 121.912 121.912 118.462 3.450 25177 5764 1 15 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.209 0.465 25177 5765 1 15 . 1 1 14 14 ILE C C 14 177.883 177.883 178.025 -0.142 25177 5766 1 15 . 1 1 14 14 ILE CA C 14 65.821 65.821 63.666 2.155 25177 5767 1 15 . 1 1 14 14 ILE CB C 14 38.078 38.078 36.158 1.920 25177 5768 1 15 . 1 1 14 14 ILE H H 14 7.843 7.843 7.930 -0.087 25177 5769 1 15 . 1 1 15 15 LYS N N 15 121.705 121.705 120.756 0.949 25177 5770 1 15 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.973 -0.136 25177 5771 1 15 . 1 1 15 15 LYS C C 15 178.896 178.896 179.204 -0.308 25177 5772 1 15 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.377 0.061 25177 5773 1 15 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.432 -0.315 25177 5774 1 15 . 1 1 15 15 LYS H H 15 8.439 8.439 8.201 0.238 25177 5775 1 15 . 1 1 16 16 THR N N 16 115.218 115.218 116.744 -1.526 25177 5776 1 15 . 1 1 16 16 THR HA H 16 3.919 3.919 3.991 -0.072 25177 5777 1 15 . 1 1 16 16 THR C C 16 176.872 176.872 177.071 -0.199 25177 5778 1 15 . 1 1 16 16 THR CA C 16 66.297 66.297 67.333 -1.036 25177 5779 1 15 . 1 1 16 16 THR CB C 16 69.045 69.045 68.685 0.360 25177 5780 1 15 . 1 1 16 16 THR H H 16 7.936 7.936 8.217 -0.281 25177 5781 1 15 . 1 1 17 17 ARG N N 17 122.508 122.508 120.997 1.511 25177 5782 1 15 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.184 -0.165 25177 5783 1 15 . 1 1 17 17 ARG C C 17 178.281 178.281 178.802 -0.521 25177 5784 1 15 . 1 1 17 17 ARG CA C 17 58.970 58.970 58.965 0.005 25177 5785 1 15 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.714 0.424 25177 5786 1 15 . 1 1 17 17 ARG H H 17 7.781 7.781 8.325 -0.544 25177 5787 1 15 . 1 1 18 18 CYS N N 18 119.296 119.296 118.227 1.069 25177 5788 1 15 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.155 -0.681 25177 5789 1 15 . 1 1 18 18 CYS C C 18 176.151 176.151 176.762 -0.611 25177 5790 1 15 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.960 -0.605 25177 5791 1 15 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.598 -1.026 25177 5792 1 15 . 1 1 18 18 CYS H H 18 8.158 8.158 8.116 0.042 25177 5793 1 15 . 1 1 19 19 GLN N N 19 116.825 116.825 119.265 -2.440 25177 5794 1 15 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.222 -0.182 25177 5795 1 15 . 1 1 19 19 GLN C C 19 176.178 176.178 177.462 -1.284 25177 5796 1 15 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.541 -1.162 25177 5797 1 15 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.014 -0.730 25177 5798 1 15 . 1 1 19 19 GLN H H 19 7.523 7.523 8.053 -0.530 25177 5799 1 15 . 1 1 20 20 ALA N N 20 121.265 121.265 119.608 1.657 25177 5800 1 15 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.317 0.044 25177 5801 1 15 . 1 1 20 20 ALA C C 20 177.491 177.491 177.866 -0.375 25177 5802 1 15 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.499 -0.629 25177 5803 1 15 . 1 1 20 20 ALA CB C 20 19.191 19.191 20.111 -0.920 25177 5804 1 15 . 1 1 20 20 ALA H H 20 7.322 7.322 7.763 -0.441 25177 5805 1 15 . 1 1 21 21 LEU N N 21 120.570 120.570 118.624 1.946 25177 5806 1 15 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.868 0.162 25177 5807 1 15 . 1 1 21 21 LEU C C 21 177.889 177.889 177.792 0.097 25177 5808 1 15 . 1 1 21 21 LEU CA C 21 55.960 55.960 54.501 1.459 25177 5809 1 15 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.530 2.958 25177 5810 1 15 . 1 1 21 21 LEU H H 21 7.200 7.200 7.820 -0.620 25177 5811 1 15 . 1 1 22 22 GLY N N 22 109.881 109.881 107.996 1.885 25177 5812 1 15 . 1 1 22 22 GLY C C 22 174.896 174.896 175.022 -0.126 25177 5813 1 15 . 1 1 22 22 GLY CA C 22 45.562 45.562 46.169 -0.607 25177 5814 1 15 . 1 1 22 22 GLY H H 22 8.454 8.454 8.422 0.032 25177 5815 1 15 . 1 1 23 23 GLY N N 23 107.014 107.014 108.016 -1.002 25177 5816 1 15 . 1 1 23 23 GLY C C 23 174.347 174.347 173.651 0.696 25177 5817 1 15 . 1 1 23 23 GLY CA C 23 45.514 45.514 44.835 0.679 25177 5818 1 15 . 1 1 23 23 GLY H H 23 7.759 7.759 7.918 -0.159 25177 5819 1 15 . 1 1 24 24 SER N N 24 116.572 116.572 116.189 0.383 25177 5820 1 15 . 1 1 24 24 SER HA H 24 4.519 4.519 4.639 -0.120 25177 5821 1 15 . 1 1 24 24 SER C C 24 175.184 175.184 174.207 0.977 25177 5822 1 15 . 1 1 24 24 SER CA C 24 57.853 57.853 57.780 0.073 25177 5823 1 15 . 1 1 24 24 SER CB C 24 64.487 64.487 65.471 -0.984 25177 5824 1 15 . 1 1 24 24 SER H H 24 8.096 8.096 8.096 0.000 25177 5825 1 15 . 1 1 25 25 GLU N N 25 126.083 126.083 125.372 0.711 25177 5826 1 15 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.043 -0.190 25177 5827 1 15 . 1 1 25 25 GLU C C 25 178.773 178.773 177.732 1.041 25177 5828 1 15 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.764 1.210 25177 5829 1 15 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.442 -0.260 25177 5830 1 15 . 1 1 25 25 GLU H H 25 9.042 9.042 8.851 0.191 25177 5831 1 15 . 1 1 26 26 ALA N N 26 121.614 121.614 123.020 -1.406 25177 5832 1 15 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.279 -0.132 25177 5833 1 15 . 1 1 26 26 ALA C C 26 180.987 180.987 179.361 1.626 25177 5834 1 15 . 1 1 26 26 ALA CA C 26 54.991 54.991 54.337 0.654 25177 5835 1 15 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.227 -0.128 25177 5836 1 15 . 1 1 26 26 ALA H H 26 8.514 8.514 8.054 0.460 25177 5837 1 15 . 1 1 27 27 GLU N N 27 119.564 119.564 120.070 -0.506 25177 5838 1 15 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.929 0.182 25177 5839 1 15 . 1 1 27 27 GLU C C 27 179.198 179.198 178.969 0.229 25177 5840 1 15 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.377 -0.551 25177 5841 1 15 . 1 1 27 27 GLU CB C 27 29.958 29.958 29.195 0.763 25177 5842 1 15 . 1 1 27 27 GLU H H 27 7.757 7.757 8.604 -0.847 25177 5843 1 15 . 1 1 28 28 CYS N N 28 120.060 120.060 116.626 3.434 25177 5844 1 15 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.957 0.174 25177 5845 1 15 . 1 1 28 28 CYS C C 28 176.521 176.521 177.105 -0.584 25177 5846 1 15 . 1 1 28 28 CYS CA C 28 63.711 63.711 62.854 0.857 25177 5847 1 15 . 1 1 28 28 CYS CB C 28 26.601 26.601 25.952 0.649 25177 5848 1 15 . 1 1 28 28 CYS H H 28 8.145 8.145 7.926 0.219 25177 5849 1 15 . 1 1 29 29 ALA N N 29 122.930 122.930 122.859 0.071 25177 5850 1 15 . 1 1 29 29 ALA HA H 29 4.210 4.210 4.179 0.031 25177 5851 1 15 . 1 1 29 29 ALA C C 29 179.659 179.659 179.314 0.345 25177 5852 1 15 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.201 -0.307 25177 5853 1 15 . 1 1 29 29 ALA CB C 29 17.701 17.701 18.165 -0.464 25177 5854 1 15 . 1 1 29 29 ALA H H 29 8.342 8.342 7.391 0.951 25177 5855 1 15 . 1 1 30 30 ALA N N 30 121.235 121.235 121.313 -0.078 25177 5856 1 15 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.093 0.132 25177 5857 1 15 . 1 1 30 30 ALA C C 30 180.452 180.452 179.799 0.653 25177 5858 1 15 . 1 1 30 30 ALA CA C 30 54.960 54.960 55.001 -0.041 25177 5859 1 15 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.322 -0.573 25177 5860 1 15 . 1 1 30 30 ALA H H 30 7.676 7.676 8.025 -0.349 25177 5861 1 15 . 1 1 31 31 PHE N N 31 121.297 121.297 118.430 2.867 25177 5862 1 15 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.124 0.217 25177 5863 1 15 . 1 1 31 31 PHE C C 31 177.355 177.355 177.972 -0.617 25177 5864 1 15 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.288 0.731 25177 5865 1 15 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.343 0.971 25177 5866 1 15 . 1 1 31 31 PHE H H 31 8.086 8.086 8.201 -0.115 25177 5867 1 15 . 1 1 32 32 GLU N N 32 119.861 119.861 119.614 0.247 25177 5868 1 15 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.881 -0.097 25177 5869 1 15 . 1 1 32 32 GLU C C 32 178.906 178.906 179.057 -0.151 25177 5870 1 15 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.356 -0.412 25177 5871 1 15 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.295 -0.352 25177 5872 1 15 . 1 1 32 32 GLU H H 32 8.417 8.417 8.327 0.090 25177 5873 1 15 . 1 1 33 33 LYS N N 33 118.133 118.133 119.531 -1.398 25177 5874 1 15 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.991 0.053 25177 5875 1 15 . 1 1 33 33 LYS C C 33 179.471 179.471 178.819 0.652 25177 5876 1 15 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.611 -0.214 25177 5877 1 15 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.272 -0.041 25177 5878 1 15 . 1 1 33 33 LYS H H 33 7.491 7.491 7.996 -0.505 25177 5879 1 15 . 1 1 34 34 GLU N N 34 121.763 121.763 119.570 2.193 25177 5880 1 15 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.855 0.262 25177 5881 1 15 . 1 1 34 34 GLU C C 34 179.955 179.955 178.851 1.104 25177 5882 1 15 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.596 -0.080 25177 5883 1 15 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.430 0.033 25177 5884 1 15 . 1 1 34 34 GLU H H 34 7.699 7.699 7.871 -0.172 25177 5885 1 15 . 1 1 35 35 ILE N N 35 121.167 121.167 119.220 1.947 25177 5886 1 15 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.661 0.122 25177 5887 1 15 . 1 1 35 35 ILE C C 35 177.219 177.219 178.072 -0.853 25177 5888 1 15 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.986 -0.025 25177 5889 1 15 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.726 0.930 25177 5890 1 15 . 1 1 35 35 ILE H H 35 8.120 8.120 8.253 -0.133 25177 5891 1 15 . 1 1 36 36 ALA N N 36 124.132 124.132 123.266 0.866 25177 5892 1 15 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.349 -0.003 25177 5893 1 15 . 1 1 36 36 ALA C C 36 180.915 180.915 179.839 1.076 25177 5894 1 15 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.058 -0.054 25177 5895 1 15 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.231 -0.471 25177 5896 1 15 . 1 1 36 36 ALA H H 36 8.161 8.161 8.116 0.045 25177 5897 1 15 . 1 1 37 37 ALA N N 37 121.980 121.980 120.903 1.077 25177 5898 1 15 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.154 0.036 25177 5899 1 15 . 1 1 37 37 ALA C C 37 180.126 180.126 179.775 0.351 25177 5900 1 15 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.819 0.221 25177 5901 1 15 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.387 -0.787 25177 5902 1 15 . 1 1 37 37 ALA H H 37 7.887 7.887 8.015 -0.128 25177 5903 1 15 . 1 1 38 38 PHE N N 38 121.517 121.517 119.285 2.232 25177 5904 1 15 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.289 -0.096 25177 5905 1 15 . 1 1 38 38 PHE C C 38 177.044 177.044 177.735 -0.691 25177 5906 1 15 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.880 0.605 25177 5907 1 15 . 1 1 38 38 PHE CB C 38 39.077 39.077 39.084 -0.007 25177 5908 1 15 . 1 1 38 38 PHE H H 38 7.751 7.751 8.323 -0.572 25177 5909 1 15 . 1 1 39 39 GLU N N 39 118.815 118.815 118.163 0.652 25177 5910 1 15 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.896 -0.258 25177 5911 1 15 . 1 1 39 39 GLU C C 39 179.591 179.591 178.868 0.723 25177 5912 1 15 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.624 0.797 25177 5913 1 15 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.098 0.764 25177 5914 1 15 . 1 1 39 39 GLU H H 39 8.746 8.746 8.692 0.054 25177 5915 1 15 . 1 1 40 40 SER N N 40 115.384 115.384 115.708 -0.324 25177 5916 1 15 . 1 1 40 40 SER HA H 40 4.176 4.176 4.186 -0.010 25177 5917 1 15 . 1 1 40 40 SER C C 40 177.354 177.354 176.825 0.529 25177 5918 1 15 . 1 1 40 40 SER CA C 40 61.771 61.771 61.062 0.709 25177 5919 1 15 . 1 1 40 40 SER CB C 40 62.786 62.786 63.005 -0.219 25177 5920 1 15 . 1 1 40 40 SER H H 40 8.171 8.171 8.136 0.035 25177 5921 1 15 . 1 1 41 41 GLU N N 41 123.650 123.650 120.599 3.051 25177 5922 1 15 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.069 0.004 25177 5923 1 15 . 1 1 41 41 GLU C C 41 179.360 179.360 178.145 1.215 25177 5924 1 15 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.450 1.060 25177 5925 1 15 . 1 1 41 41 GLU CB C 41 29.521 29.521 29.980 -0.459 25177 5926 1 15 . 1 1 41 41 GLU H H 41 7.819 7.819 7.923 -0.104 25177 5927 1 15 . 1 1 42 42 LEU N N 42 119.352 119.352 117.555 1.797 25177 5928 1 15 . 1 1 42 42 LEU HA H 42 3.767 3.767 3.926 -0.159 25177 5929 1 15 . 1 1 42 42 LEU C C 42 179.152 179.152 178.206 0.946 25177 5930 1 15 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.069 -0.105 25177 5931 1 15 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.161 -0.669 25177 5932 1 15 . 1 1 42 42 LEU H H 42 7.816 7.816 7.870 -0.054 25177 5933 1 15 . 1 1 43 43 GLN N N 43 118.423 118.423 117.318 1.105 25177 5934 1 15 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.072 -0.114 25177 5935 1 15 . 1 1 43 43 GLN C C 43 177.081 177.081 177.046 0.035 25177 5936 1 15 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.763 0.402 25177 5937 1 15 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.438 -0.231 25177 5938 1 15 . 1 1 43 43 GLN H H 43 7.785 7.785 8.037 -0.252 25177 5939 1 15 . 1 1 44 44 ALA N N 44 120.300 120.300 120.427 -0.127 25177 5940 1 15 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.221 -0.060 25177 5941 1 15 . 1 1 44 44 ALA C C 44 177.823 177.823 178.299 -0.476 25177 5942 1 15 . 1 1 44 44 ALA CA C 44 53.156 53.156 52.961 0.195 25177 5943 1 15 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.474 -0.049 25177 5944 1 15 . 1 1 44 44 ALA H H 44 7.380 7.380 7.839 -0.459 25177 5945 1 15 . 1 1 45 45 TYR N N 45 118.887 118.887 118.283 0.604 25177 5946 1 15 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.161 0.212 25177 5947 1 15 . 1 1 45 45 TYR C C 45 176.018 176.018 176.407 -0.389 25177 5948 1 15 . 1 1 45 45 TYR CA C 45 58.749 58.749 59.485 -0.736 25177 5949 1 15 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.654 0.143 25177 5950 1 15 . 1 1 45 45 TYR H H 45 7.438 7.438 7.199 0.239 25177 5951 1 15 . 1 1 46 46 LYS N N 46 124.177 124.177 116.842 7.335 25177 5952 1 15 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.002 0.184 25177 5953 1 15 . 1 1 46 46 LYS C C 46 176.900 176.900 176.777 0.123 25177 5954 1 15 . 1 1 46 46 LYS CA C 46 56.718 56.718 57.014 -0.296 25177 5955 1 15 . 1 1 46 46 LYS CB C 46 32.774 32.774 31.168 1.606 25177 5956 1 15 . 1 1 46 46 LYS H H 46 7.884 7.884 8.703 -0.819 25177 5957 1 15 . 1 1 47 47 GLY N N 47 109.590 109.590 107.962 1.628 25177 5958 1 15 . 1 1 47 47 GLY C C 47 174.029 174.029 173.731 0.298 25177 5959 1 15 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.455 1.142 25177 5960 1 15 . 1 1 47 47 GLY H H 47 7.662 7.662 8.529 -0.867 25177 5961 1 15 . 1 1 48 48 LYS N N 48 120.521 120.521 120.955 -0.434 25177 5962 1 15 . 1 1 48 48 LYS HA H 48 3.921 3.921 3.938 -0.017 25177 5963 1 15 . 1 1 48 48 LYS C C 48 177.262 177.262 176.819 0.443 25177 5964 1 15 . 1 1 48 48 LYS CA C 48 56.345 56.345 56.659 -0.314 25177 5965 1 15 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.074 0.804 25177 5966 1 15 . 1 1 48 48 LYS H H 48 8.049 8.049 7.639 0.410 25177 5967 1 15 . 1 1 49 49 GLY N N 49 110.678 110.678 111.346 -0.668 25177 5968 1 15 . 1 1 49 49 GLY C C 49 173.842 173.842 173.829 0.013 25177 5969 1 15 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.264 0.321 25177 5970 1 15 . 1 1 49 49 GLY H H 49 8.604 8.604 8.481 0.123 25177 5971 1 15 . 1 1 50 50 ASN N N 50 120.298 120.298 118.954 1.344 25177 5972 1 15 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.984 -0.028 25177 5973 1 15 . 1 1 50 50 ASN C C 50 177.904 177.904 174.983 2.921 25177 5974 1 15 . 1 1 50 50 ASN CA C 50 51.649 51.649 51.030 0.619 25177 5975 1 15 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.825 0.117 25177 5976 1 15 . 1 1 50 50 ASN H H 50 8.045 8.045 8.300 -0.255 25177 5977 1 15 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.391 -0.119 25177 5978 1 15 . 1 1 51 51 PRO C C 51 178.931 178.931 177.862 1.069 25177 5979 1 15 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.232 0.877 25177 5980 1 15 . 1 1 51 51 PRO CB C 51 31.834 31.834 31.776 0.057 25177 5981 1 15 . 1 1 52 52 GLU N N 52 119.291 119.291 119.429 -0.138 25177 5982 1 15 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.952 0.107 25177 5983 1 15 . 1 1 52 52 GLU C C 52 178.805 178.805 178.278 0.527 25177 5984 1 15 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.012 0.161 25177 5985 1 15 . 1 1 52 52 GLU CB C 52 28.685 28.685 27.898 0.787 25177 5986 1 15 . 1 1 52 52 GLU H H 52 8.344 8.344 8.566 -0.222 25177 5987 1 15 . 1 1 53 53 VAL N N 53 120.013 120.013 119.418 0.595 25177 5988 1 15 . 1 1 53 53 VAL HA H 53 3.502 3.502 4.006 -0.504 25177 5989 1 15 . 1 1 53 53 VAL C C 53 177.587 177.587 177.813 -0.226 25177 5990 1 15 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.392 0.554 25177 5991 1 15 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.101 0.374 25177 5992 1 15 . 1 1 53 53 VAL H H 53 7.304 7.304 7.568 -0.264 25177 5993 1 15 . 1 1 54 54 GLU N N 54 119.848 119.848 119.981 -0.133 25177 5994 1 15 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.991 0.057 25177 5995 1 15 . 1 1 54 54 GLU C C 54 178.910 178.910 178.706 0.204 25177 5996 1 15 . 1 1 54 54 GLU CA C 54 58.857 58.857 60.006 -1.149 25177 5997 1 15 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.802 -0.103 25177 5998 1 15 . 1 1 54 54 GLU H H 54 7.820 7.820 8.105 -0.285 25177 5999 1 15 . 1 1 55 55 ALA N N 55 121.463 121.463 121.480 -0.017 25177 6000 1 15 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.194 -0.049 25177 6001 1 15 . 1 1 55 55 ALA C C 55 180.920 180.920 180.013 0.907 25177 6002 1 15 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.831 0.428 25177 6003 1 15 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.321 -0.521 25177 6004 1 15 . 1 1 55 55 ALA H H 55 7.701 7.701 7.732 -0.031 25177 6005 1 15 . 1 1 56 56 LEU N N 56 120.343 120.343 120.104 0.239 25177 6006 1 15 . 1 1 56 56 LEU HA H 56 4.145 4.145 4.059 0.086 25177 6007 1 15 . 1 1 56 56 LEU C C 56 178.721 178.721 178.707 0.014 25177 6008 1 15 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.290 -0.391 25177 6009 1 15 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.651 0.547 25177 6010 1 15 . 1 1 56 56 LEU H H 56 7.656 7.656 7.636 0.020 25177 6011 1 15 . 1 1 57 57 ARG N N 57 119.950 119.950 118.189 1.761 25177 6012 1 15 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.971 -0.150 25177 6013 1 15 . 1 1 57 57 ARG C C 57 179.667 179.667 178.491 1.176 25177 6014 1 15 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.462 0.725 25177 6015 1 15 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.602 -0.417 25177 6016 1 15 . 1 1 57 57 ARG H H 57 8.350 8.350 8.805 -0.455 25177 6017 1 15 . 1 1 58 58 LYS N N 58 120.501 120.501 120.716 -0.215 25177 6018 1 15 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.011 0.019 25177 6019 1 15 . 1 1 58 58 LYS C C 58 179.448 179.448 178.891 0.557 25177 6020 1 15 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.750 -0.172 25177 6021 1 15 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.258 0.111 25177 6022 1 15 . 1 1 58 58 LYS H H 58 7.989 7.989 8.231 -0.242 25177 6023 1 15 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.921 0.223 25177 6024 1 15 . 1 1 59 59 GLU C C 59 178.877 178.877 178.915 -0.038 25177 6025 1 15 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.695 -0.276 25177 6026 1 15 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.549 -0.317 25177 6027 1 15 . 1 1 59 59 GLU H H 59 7.891 7.891 8.063 -0.172 25177 6028 1 15 . 1 1 60 60 ALA N N 60 122.069 122.069 121.969 0.100 25177 6029 1 15 . 1 1 60 60 ALA HA H 60 3.936 3.936 4.033 -0.097 25177 6030 1 15 . 1 1 60 60 ALA C C 60 178.379 178.379 179.591 -1.212 25177 6031 1 15 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.187 -0.292 25177 6032 1 15 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.111 -0.583 25177 6033 1 15 . 1 1 60 60 ALA H H 60 8.480 8.480 8.136 0.344 25177 6034 1 15 . 1 1 61 61 ALA N N 61 121.446 121.446 120.913 0.533 25177 6035 1 15 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.944 0.201 25177 6036 1 15 . 1 1 61 61 ALA C C 61 178.579 178.579 179.250 -0.671 25177 6037 1 15 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.863 0.577 25177 6038 1 15 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.473 -0.307 25177 6039 1 15 . 1 1 61 61 ALA H H 61 7.702 7.702 7.995 -0.293 25177 6040 1 15 . 1 1 62 62 ALA N N 62 119.705 119.705 121.638 -1.933 25177 6041 1 15 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.169 -0.137 25177 6042 1 15 . 1 1 62 62 ALA C C 62 180.829 180.829 179.623 1.206 25177 6043 1 15 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.777 0.018 25177 6044 1 15 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.471 -0.799 25177 6045 1 15 . 1 1 62 62 ALA H H 62 7.818 7.818 7.832 -0.014 25177 6046 1 15 . 1 1 63 63 ILE N N 63 121.021 121.021 119.591 1.430 25177 6047 1 15 . 1 1 63 63 ILE HA H 63 3.851 3.851 4.012 -0.161 25177 6048 1 15 . 1 1 63 63 ILE C C 63 178.076 178.076 178.088 -0.012 25177 6049 1 15 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.243 -0.555 25177 6050 1 15 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.669 0.286 25177 6051 1 15 . 1 1 63 63 ILE H H 63 7.876 7.876 8.198 -0.322 25177 6052 1 15 . 1 1 64 64 ARG N N 64 121.460 121.460 120.161 1.299 25177 6053 1 15 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.931 -0.040 25177 6054 1 15 . 1 1 64 64 ARG C C 64 178.617 178.617 178.108 0.509 25177 6055 1 15 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.811 0.516 25177 6056 1 15 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.895 -0.574 25177 6057 1 15 . 1 1 64 64 ARG H H 64 8.023 8.023 8.101 -0.078 25177 6058 1 15 . 1 1 65 65 ASP N N 65 119.343 119.343 119.520 -0.177 25177 6059 1 15 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.330 0.055 25177 6060 1 15 . 1 1 65 65 ASP C C 65 178.827 178.827 178.409 0.418 25177 6061 1 15 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.304 0.009 25177 6062 1 15 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.271 0.092 25177 6063 1 15 . 1 1 65 65 ASP H H 65 8.046 8.046 8.018 0.028 25177 6064 1 15 . 1 1 66 66 GLU N N 66 121.291 121.291 119.785 1.506 25177 6065 1 15 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.637 0.401 25177 6066 1 15 . 1 1 66 66 GLU C C 66 178.410 178.410 178.535 -0.125 25177 6067 1 15 . 1 1 66 66 GLU CA C 66 58.893 58.893 58.823 0.070 25177 6068 1 15 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.160 0.316 25177 6069 1 15 . 1 1 66 66 GLU H H 66 7.931 7.931 8.089 -0.158 25177 6070 1 15 . 1 1 67 67 CYS N N 67 117.825 117.825 118.571 -0.746 25177 6071 1 15 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.167 0.032 25177 6072 1 15 . 1 1 67 67 CYS C C 67 176.095 176.095 177.136 -1.041 25177 6073 1 15 . 1 1 67 67 CYS CA C 67 61.485 61.485 62.662 -1.177 25177 6074 1 15 . 1 1 67 67 CYS CB C 67 27.011 27.011 26.317 0.694 25177 6075 1 15 . 1 1 67 67 CYS H H 67 8.009 8.009 8.009 0.000 25177 6076 1 15 . 1 1 68 68 GLN N N 68 118.847 118.847 118.050 0.797 25177 6077 1 15 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.135 -0.018 25177 6078 1 15 . 1 1 68 68 GLN C C 68 177.110 177.110 177.504 -0.394 25177 6079 1 15 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.587 -1.133 25177 6080 1 15 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.506 -0.158 25177 6081 1 15 . 1 1 68 68 GLN H H 68 7.906 7.906 7.824 0.082 25177 6082 1 15 . 1 1 69 69 ALA N N 69 122.260 122.260 119.440 2.820 25177 6083 1 15 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.187 -0.084 25177 6084 1 15 . 1 1 69 69 ALA C C 69 178.367 178.367 178.213 0.154 25177 6085 1 15 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.554 0.128 25177 6086 1 15 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.426 -0.230 25177 6087 1 15 . 1 1 69 69 ALA H H 69 7.648 7.648 7.413 0.235 25177 6088 1 15 . 1 1 70 70 TYR N N 70 117.039 117.039 117.417 -0.378 25177 6089 1 15 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.515 -0.105 25177 6090 1 15 . 1 1 70 70 TYR C C 70 176.061 176.061 177.022 -0.961 25177 6091 1 15 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.725 -0.269 25177 6092 1 15 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.572 -1.361 25177 6093 1 15 . 1 1 70 70 TYR H H 70 7.541 7.541 7.128 0.413 25177 6094 1 15 . 1 1 71 71 ARG N N 71 120.503 120.503 118.265 2.238 25177 6095 1 15 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.574 -0.330 25177 6096 1 15 . 1 1 71 71 ARG C C 71 175.759 175.759 175.520 0.239 25177 6097 1 15 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.266 -0.246 25177 6098 1 15 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.927 -0.298 25177 6099 1 15 . 1 1 71 71 ARG H H 71 7.541 7.541 7.706 -0.165 25177 6100 1 15 . 1 1 72 72 HIS N N 72 120.119 120.119 115.563 4.556 25177 6101 1 15 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.591 0.073 25177 6102 1 15 . 1 1 72 72 HIS C C 72 173.738 173.738 173.116 0.622 25177 6103 1 15 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.262 -0.869 25177 6104 1 15 . 1 1 72 72 HIS CB C 72 29.761 29.761 30.002 -0.241 25177 6105 1 15 . 1 1 72 72 HIS H H 72 8.126 8.126 8.201 -0.075 25177 6106 1 16 . 1 1 3 3 SER HA H 3 4.362 4.362 4.261 0.101 25177 6107 1 16 . 1 1 3 3 SER C C 3 176.187 176.187 176.225 -0.038 25177 6108 1 16 . 1 1 3 3 SER CA C 3 55.064 55.064 61.187 -6.123 25177 6109 1 16 . 1 1 3 3 SER CB C 3 61.154 61.154 63.050 -1.896 25177 6110 1 16 . 1 1 4 4 TRP N N 4 122.487 122.487 123.240 -0.753 25177 6111 1 16 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.335 0.197 25177 6112 1 16 . 1 1 4 4 TRP C C 4 177.481 177.481 176.783 0.698 25177 6113 1 16 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.356 -0.815 25177 6114 1 16 . 1 1 4 4 TRP CB C 4 29.557 29.557 28.759 0.798 25177 6115 1 16 . 1 1 4 4 TRP H H 4 8.287 8.287 7.509 0.778 25177 6116 1 16 . 1 1 5 5 ALA N N 5 121.306 121.306 122.850 -1.544 25177 6117 1 16 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.567 0.315 25177 6118 1 16 . 1 1 5 5 ALA C C 5 180.462 180.462 179.848 0.614 25177 6119 1 16 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.385 0.013 25177 6120 1 16 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.960 0.069 25177 6121 1 16 . 1 1 5 5 ALA H H 5 8.287 8.287 8.085 0.202 25177 6122 1 16 . 1 1 6 6 GLU N N 6 118.841 118.841 119.078 -0.237 25177 6123 1 16 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.021 0.041 25177 6124 1 16 . 1 1 6 6 GLU C C 6 179.425 179.425 179.143 0.282 25177 6125 1 16 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.319 -0.077 25177 6126 1 16 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.753 -0.536 25177 6127 1 16 . 1 1 6 6 GLU H H 6 7.805 7.805 7.823 -0.018 25177 6128 1 16 . 1 1 7 7 PHE N N 7 120.314 120.314 119.067 1.247 25177 6129 1 16 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.353 0.012 25177 6130 1 16 . 1 1 7 7 PHE C C 7 178.168 178.168 178.226 -0.058 25177 6131 1 16 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.708 -0.308 25177 6132 1 16 . 1 1 7 7 PHE CB C 7 39.174 39.174 39.008 0.166 25177 6133 1 16 . 1 1 7 7 PHE H H 7 7.950 7.950 7.952 -0.002 25177 6134 1 16 . 1 1 8 8 LYS N N 8 119.370 119.370 120.168 -0.798 25177 6135 1 16 . 1 1 8 8 LYS HA H 8 3.807 3.807 4.054 -0.247 25177 6136 1 16 . 1 1 8 8 LYS C C 8 179.501 179.501 179.047 0.454 25177 6137 1 16 . 1 1 8 8 LYS CA C 8 60.102 60.102 60.213 -0.111 25177 6138 1 16 . 1 1 8 8 LYS CB C 8 31.793 31.793 32.301 -0.508 25177 6139 1 16 . 1 1 8 8 LYS H H 8 8.214 8.214 8.704 -0.490 25177 6140 1 16 . 1 1 9 9 GLN N N 9 120.219 120.219 118.983 1.236 25177 6141 1 16 . 1 1 9 9 GLN HA H 9 4.075 4.075 4.068 0.007 25177 6142 1 16 . 1 1 9 9 GLN C C 9 178.818 178.818 178.799 0.019 25177 6143 1 16 . 1 1 9 9 GLN CA C 9 58.598 58.598 58.751 -0.153 25177 6144 1 16 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.347 -0.247 25177 6145 1 16 . 1 1 9 9 GLN H H 9 7.859 7.859 8.056 -0.197 25177 6146 1 16 . 1 1 10 10 ARG N N 10 122.005 122.005 119.809 2.196 25177 6147 1 16 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.989 0.064 25177 6148 1 16 . 1 1 10 10 ARG C C 10 179.057 179.057 178.831 0.226 25177 6149 1 16 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.033 0.042 25177 6150 1 16 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.752 0.783 25177 6151 1 16 . 1 1 10 10 ARG H H 10 8.135 8.135 8.073 0.062 25177 6152 1 16 . 1 1 11 11 LEU N N 11 120.796 120.796 120.418 0.378 25177 6153 1 16 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.896 -0.255 25177 6154 1 16 . 1 1 11 11 LEU C C 11 177.921 177.921 178.120 -0.199 25177 6155 1 16 . 1 1 11 11 LEU CA C 11 57.226 57.226 58.380 -1.154 25177 6156 1 16 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.904 -1.300 25177 6157 1 16 . 1 1 11 11 LEU H H 11 8.066 8.066 8.260 -0.194 25177 6158 1 16 . 1 1 12 12 ALA N N 12 121.596 121.596 121.809 -0.213 25177 6159 1 16 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.944 0.069 25177 6160 1 16 . 1 1 12 12 ALA C C 12 180.299 180.299 179.312 0.987 25177 6161 1 16 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.112 -0.057 25177 6162 1 16 . 1 1 12 12 ALA CB C 12 17.431 17.431 18.145 -0.714 25177 6163 1 16 . 1 1 12 12 ALA H H 12 7.670 7.670 8.231 -0.561 25177 6164 1 16 . 1 1 13 13 ALA N N 13 121.486 121.486 121.427 0.059 25177 6165 1 16 . 1 1 13 13 ALA HA H 13 4.162 4.162 4.045 0.117 25177 6166 1 16 . 1 1 13 13 ALA C C 13 180.732 180.732 179.637 1.095 25177 6167 1 16 . 1 1 13 13 ALA CA C 13 54.881 54.881 55.030 -0.149 25177 6168 1 16 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.311 -0.495 25177 6169 1 16 . 1 1 13 13 ALA H H 13 7.601 7.601 7.931 -0.330 25177 6170 1 16 . 1 1 14 14 ILE N N 14 121.912 121.912 118.701 3.211 25177 6171 1 16 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.473 0.201 25177 6172 1 16 . 1 1 14 14 ILE C C 14 177.883 177.883 178.127 -0.244 25177 6173 1 16 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.482 0.339 25177 6174 1 16 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.472 0.606 25177 6175 1 16 . 1 1 14 14 ILE H H 14 7.843 7.843 8.048 -0.205 25177 6176 1 16 . 1 1 15 15 LYS N N 15 121.705 121.705 120.941 0.764 25177 6177 1 16 . 1 1 15 15 LYS HA H 15 3.837 3.837 4.062 -0.225 25177 6178 1 16 . 1 1 15 15 LYS C C 15 178.896 178.896 178.915 -0.019 25177 6179 1 16 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.404 0.034 25177 6180 1 16 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.448 -0.331 25177 6181 1 16 . 1 1 15 15 LYS H H 15 8.439 8.439 8.253 0.186 25177 6182 1 16 . 1 1 16 16 THR N N 16 115.218 115.218 116.960 -1.742 25177 6183 1 16 . 1 1 16 16 THR HA H 16 3.919 3.919 3.955 -0.036 25177 6184 1 16 . 1 1 16 16 THR C C 16 176.872 176.872 177.067 -0.195 25177 6185 1 16 . 1 1 16 16 THR CA C 16 66.297 66.297 66.935 -0.638 25177 6186 1 16 . 1 1 16 16 THR CB C 16 69.045 69.045 68.751 0.294 25177 6187 1 16 . 1 1 16 16 THR H H 16 7.936 7.936 8.198 -0.262 25177 6188 1 16 . 1 1 17 17 ARG N N 17 122.508 122.508 121.528 0.980 25177 6189 1 16 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.108 -0.089 25177 6190 1 16 . 1 1 17 17 ARG C C 17 178.281 178.281 178.745 -0.464 25177 6191 1 16 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.299 -0.329 25177 6192 1 16 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.992 0.145 25177 6193 1 16 . 1 1 17 17 ARG H H 17 7.781 7.781 8.192 -0.411 25177 6194 1 16 . 1 1 18 18 CYS N N 18 119.296 119.296 117.631 1.665 25177 6195 1 16 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.003 -0.529 25177 6196 1 16 . 1 1 18 18 CYS C C 18 176.151 176.151 176.450 -0.299 25177 6197 1 16 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.906 -0.551 25177 6198 1 16 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.382 -0.810 25177 6199 1 16 . 1 1 18 18 CYS H H 18 8.158 8.158 8.152 0.006 25177 6200 1 16 . 1 1 19 19 GLN N N 19 116.825 116.825 117.623 -0.798 25177 6201 1 16 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.237 -0.197 25177 6202 1 16 . 1 1 19 19 GLN C C 19 176.178 176.178 177.817 -1.639 25177 6203 1 16 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.336 -0.957 25177 6204 1 16 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.070 -0.786 25177 6205 1 16 . 1 1 19 19 GLN H H 19 7.523 7.523 8.166 -0.643 25177 6206 1 16 . 1 1 20 20 ALA N N 20 121.265 121.265 120.144 1.121 25177 6207 1 16 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.208 0.153 25177 6208 1 16 . 1 1 20 20 ALA C C 20 177.491 177.491 177.722 -0.231 25177 6209 1 16 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.749 -0.880 25177 6210 1 16 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.475 -0.284 25177 6211 1 16 . 1 1 20 20 ALA H H 20 7.322 7.322 7.709 -0.387 25177 6212 1 16 . 1 1 21 21 LEU N N 21 120.570 120.570 115.469 5.101 25177 6213 1 16 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.760 0.270 25177 6214 1 16 . 1 1 21 21 LEU C C 21 177.889 177.889 176.957 0.932 25177 6215 1 16 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.284 0.676 25177 6216 1 16 . 1 1 21 21 LEU CB C 21 42.488 42.488 38.890 3.598 25177 6217 1 16 . 1 1 21 21 LEU H H 21 7.200 7.200 7.440 -0.240 25177 6218 1 16 . 1 1 22 22 GLY N N 22 109.881 109.881 105.060 4.821 25177 6219 1 16 . 1 1 22 22 GLY C C 22 174.896 174.896 174.175 0.721 25177 6220 1 16 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.958 0.604 25177 6221 1 16 . 1 1 22 22 GLY H H 22 8.454 8.454 7.763 0.691 25177 6222 1 16 . 1 1 23 23 GLY N N 23 107.014 107.014 108.497 -1.483 25177 6223 1 16 . 1 1 23 23 GLY C C 23 174.347 174.347 173.941 0.406 25177 6224 1 16 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.213 0.301 25177 6225 1 16 . 1 1 23 23 GLY H H 23 7.759 7.759 8.257 -0.498 25177 6226 1 16 . 1 1 24 24 SER N N 24 116.572 116.572 113.427 3.145 25177 6227 1 16 . 1 1 24 24 SER HA H 24 4.519 4.519 4.603 -0.084 25177 6228 1 16 . 1 1 24 24 SER C C 24 175.184 175.184 173.667 1.517 25177 6229 1 16 . 1 1 24 24 SER CA C 24 57.853 57.853 57.686 0.167 25177 6230 1 16 . 1 1 24 24 SER CB C 24 64.487 64.487 65.136 -0.649 25177 6231 1 16 . 1 1 24 24 SER H H 24 8.096 8.096 7.443 0.653 25177 6232 1 16 . 1 1 25 25 GLU N N 25 126.083 126.083 124.007 2.076 25177 6233 1 16 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.043 -0.190 25177 6234 1 16 . 1 1 25 25 GLU C C 25 178.773 178.773 176.909 1.864 25177 6235 1 16 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.787 1.187 25177 6236 1 16 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.725 -0.543 25177 6237 1 16 . 1 1 25 25 GLU H H 25 9.042 9.042 8.718 0.324 25177 6238 1 16 . 1 1 26 26 ALA N N 26 121.614 121.614 122.591 -0.977 25177 6239 1 16 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.237 -0.090 25177 6240 1 16 . 1 1 26 26 ALA C C 26 180.987 180.987 179.312 1.675 25177 6241 1 16 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.587 1.403 25177 6242 1 16 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.354 -0.255 25177 6243 1 16 . 1 1 26 26 ALA H H 26 8.514 8.514 7.921 0.593 25177 6244 1 16 . 1 1 27 27 GLU N N 27 119.564 119.564 120.372 -0.808 25177 6245 1 16 . 1 1 27 27 GLU HA H 27 4.111 4.111 4.062 0.049 25177 6246 1 16 . 1 1 27 27 GLU C C 27 179.198 179.198 178.671 0.527 25177 6247 1 16 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.077 -0.251 25177 6248 1 16 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.834 1.125 25177 6249 1 16 . 1 1 27 27 GLU H H 27 7.757 7.757 8.633 -0.876 25177 6250 1 16 . 1 1 28 28 CYS N N 28 120.060 120.060 118.973 1.087 25177 6251 1 16 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.926 0.205 25177 6252 1 16 . 1 1 28 28 CYS C C 28 176.521 176.521 177.258 -0.737 25177 6253 1 16 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.773 -0.062 25177 6254 1 16 . 1 1 28 28 CYS CB C 28 26.601 26.601 26.939 -0.338 25177 6255 1 16 . 1 1 28 28 CYS H H 28 8.145 8.145 7.615 0.530 25177 6256 1 16 . 1 1 29 29 ALA N N 29 122.930 122.930 122.045 0.885 25177 6257 1 16 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.935 0.275 25177 6258 1 16 . 1 1 29 29 ALA C C 29 179.659 179.659 178.985 0.674 25177 6259 1 16 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.289 -0.395 25177 6260 1 16 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.995 -0.294 25177 6261 1 16 . 1 1 29 29 ALA H H 29 8.342 8.342 7.943 0.399 25177 6262 1 16 . 1 1 30 30 ALA N N 30 121.235 121.235 121.213 0.022 25177 6263 1 16 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.055 0.170 25177 6264 1 16 . 1 1 30 30 ALA C C 30 180.452 180.452 179.787 0.665 25177 6265 1 16 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.878 0.082 25177 6266 1 16 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.256 -0.507 25177 6267 1 16 . 1 1 30 30 ALA H H 30 7.676 7.676 7.728 -0.052 25177 6268 1 16 . 1 1 31 31 PHE N N 31 121.297 121.297 118.463 2.834 25177 6269 1 16 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.097 0.244 25177 6270 1 16 . 1 1 31 31 PHE C C 31 177.355 177.355 177.653 -0.298 25177 6271 1 16 . 1 1 31 31 PHE CA C 31 61.019 61.019 61.312 -0.293 25177 6272 1 16 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.529 0.785 25177 6273 1 16 . 1 1 31 31 PHE H H 31 8.086 8.086 8.300 -0.214 25177 6274 1 16 . 1 1 32 32 GLU N N 32 119.861 119.861 120.071 -0.210 25177 6275 1 16 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.972 -0.188 25177 6276 1 16 . 1 1 32 32 GLU C C 32 178.906 178.906 178.847 0.059 25177 6277 1 16 . 1 1 32 32 GLU CA C 32 59.944 59.944 59.156 0.788 25177 6278 1 16 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.066 -0.123 25177 6279 1 16 . 1 1 32 32 GLU H H 32 8.417 8.417 8.221 0.196 25177 6280 1 16 . 1 1 33 33 LYS N N 33 118.133 118.133 119.402 -1.269 25177 6281 1 16 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.966 0.078 25177 6282 1 16 . 1 1 33 33 LYS C C 33 179.471 179.471 179.068 0.403 25177 6283 1 16 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.987 -0.590 25177 6284 1 16 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.346 -0.115 25177 6285 1 16 . 1 1 33 33 LYS H H 33 7.491 7.491 7.870 -0.379 25177 6286 1 16 . 1 1 34 34 GLU N N 34 121.763 121.763 119.686 2.077 25177 6287 1 16 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.974 0.143 25177 6288 1 16 . 1 1 34 34 GLU C C 34 179.955 179.955 179.184 0.771 25177 6289 1 16 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.204 0.312 25177 6290 1 16 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.203 0.259 25177 6291 1 16 . 1 1 34 34 GLU H H 34 7.699 7.699 7.857 -0.158 25177 6292 1 16 . 1 1 35 35 ILE N N 35 121.167 121.167 119.212 1.955 25177 6293 1 16 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.668 0.115 25177 6294 1 16 . 1 1 35 35 ILE C C 35 177.219 177.219 178.155 -0.936 25177 6295 1 16 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.942 0.019 25177 6296 1 16 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.624 1.032 25177 6297 1 16 . 1 1 35 35 ILE H H 35 8.120 8.120 8.095 0.025 25177 6298 1 16 . 1 1 36 36 ALA N N 36 124.132 124.132 123.120 1.012 25177 6299 1 16 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.279 0.067 25177 6300 1 16 . 1 1 36 36 ALA C C 36 180.915 180.915 179.779 1.136 25177 6301 1 16 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.094 -0.090 25177 6302 1 16 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.221 -0.461 25177 6303 1 16 . 1 1 36 36 ALA H H 36 8.161 8.161 8.061 0.100 25177 6304 1 16 . 1 1 37 37 ALA N N 37 121.980 121.980 120.916 1.064 25177 6305 1 16 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.158 0.032 25177 6306 1 16 . 1 1 37 37 ALA C C 37 180.126 180.126 179.769 0.357 25177 6307 1 16 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.835 0.205 25177 6308 1 16 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.363 -0.763 25177 6309 1 16 . 1 1 37 37 ALA H H 37 7.887 7.887 8.020 -0.133 25177 6310 1 16 . 1 1 38 38 PHE N N 38 121.517 121.517 119.581 1.936 25177 6311 1 16 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.325 -0.132 25177 6312 1 16 . 1 1 38 38 PHE C C 38 177.044 177.044 177.759 -0.715 25177 6313 1 16 . 1 1 38 38 PHE CA C 38 61.485 61.485 61.056 0.429 25177 6314 1 16 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.978 0.098 25177 6315 1 16 . 1 1 38 38 PHE H H 38 7.751 7.751 8.233 -0.482 25177 6316 1 16 . 1 1 39 39 GLU N N 39 118.815 118.815 118.098 0.717 25177 6317 1 16 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.929 -0.291 25177 6318 1 16 . 1 1 39 39 GLU C C 39 179.591 179.591 178.946 0.645 25177 6319 1 16 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.694 0.727 25177 6320 1 16 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.167 0.695 25177 6321 1 16 . 1 1 39 39 GLU H H 39 8.746 8.746 8.630 0.116 25177 6322 1 16 . 1 1 40 40 SER N N 40 115.384 115.384 115.579 -0.195 25177 6323 1 16 . 1 1 40 40 SER HA H 40 4.176 4.176 4.257 -0.081 25177 6324 1 16 . 1 1 40 40 SER C C 40 177.354 177.354 176.536 0.818 25177 6325 1 16 . 1 1 40 40 SER CA C 40 61.771 61.771 61.243 0.528 25177 6326 1 16 . 1 1 40 40 SER CB C 40 62.786 62.786 62.877 -0.091 25177 6327 1 16 . 1 1 40 40 SER H H 40 8.171 8.171 8.136 0.035 25177 6328 1 16 . 1 1 41 41 GLU N N 41 123.650 123.650 120.066 3.584 25177 6329 1 16 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.101 -0.028 25177 6330 1 16 . 1 1 41 41 GLU C C 41 179.360 179.360 178.419 0.941 25177 6331 1 16 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.457 1.053 25177 6332 1 16 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.073 -0.552 25177 6333 1 16 . 1 1 41 41 GLU H H 41 7.819 7.819 7.944 -0.125 25177 6334 1 16 . 1 1 42 42 LEU N N 42 119.352 119.352 117.804 1.548 25177 6335 1 16 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.015 -0.248 25177 6336 1 16 . 1 1 42 42 LEU C C 42 179.152 179.152 178.228 0.924 25177 6337 1 16 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.161 -0.197 25177 6338 1 16 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.175 -0.683 25177 6339 1 16 . 1 1 42 42 LEU H H 42 7.816 7.816 7.917 -0.101 25177 6340 1 16 . 1 1 43 43 GLN N N 43 118.423 118.423 117.259 1.164 25177 6341 1 16 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.042 -0.084 25177 6342 1 16 . 1 1 43 43 GLN C C 43 177.081 177.081 177.140 -0.059 25177 6343 1 16 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.713 0.452 25177 6344 1 16 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.505 -0.298 25177 6345 1 16 . 1 1 43 43 GLN H H 43 7.785 7.785 7.989 -0.204 25177 6346 1 16 . 1 1 44 44 ALA N N 44 120.300 120.300 119.860 0.440 25177 6347 1 16 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.194 -0.033 25177 6348 1 16 . 1 1 44 44 ALA C C 44 177.823 177.823 178.245 -0.422 25177 6349 1 16 . 1 1 44 44 ALA CA C 44 53.156 53.156 52.611 0.545 25177 6350 1 16 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.601 -0.176 25177 6351 1 16 . 1 1 44 44 ALA H H 44 7.380 7.380 7.669 -0.289 25177 6352 1 16 . 1 1 45 45 TYR N N 45 118.887 118.887 118.497 0.390 25177 6353 1 16 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.052 0.321 25177 6354 1 16 . 1 1 45 45 TYR C C 45 176.018 176.018 177.019 -1.001 25177 6355 1 16 . 1 1 45 45 TYR CA C 45 58.749 58.749 60.923 -2.174 25177 6356 1 16 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.537 0.260 25177 6357 1 16 . 1 1 45 45 TYR H H 45 7.438 7.438 7.412 0.026 25177 6358 1 16 . 1 1 46 46 LYS N N 46 124.177 124.177 114.080 10.097 25177 6359 1 16 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.330 -0.144 25177 6360 1 16 . 1 1 46 46 LYS C C 46 176.900 176.900 177.029 -0.129 25177 6361 1 16 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.599 0.119 25177 6362 1 16 . 1 1 46 46 LYS CB C 46 32.774 32.774 33.743 -0.969 25177 6363 1 16 . 1 1 46 46 LYS H H 46 7.884 7.884 8.129 -0.245 25177 6364 1 16 . 1 1 47 47 GLY N N 47 109.590 109.590 107.445 2.145 25177 6365 1 16 . 1 1 47 47 GLY C C 47 174.029 174.029 175.723 -1.694 25177 6366 1 16 . 1 1 47 47 GLY CA C 47 45.597 45.597 46.086 -0.488 25177 6367 1 16 . 1 1 47 47 GLY H H 47 7.662 7.662 8.303 -0.641 25177 6368 1 16 . 1 1 48 48 LYS N N 48 120.521 120.521 123.629 -3.108 25177 6369 1 16 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.115 -0.194 25177 6370 1 16 . 1 1 48 48 LYS C C 48 177.262 177.262 177.340 -0.078 25177 6371 1 16 . 1 1 48 48 LYS CA C 48 56.345 56.345 58.526 -2.181 25177 6372 1 16 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.329 0.549 25177 6373 1 16 . 1 1 48 48 LYS H H 48 8.049 8.049 7.837 0.212 25177 6374 1 16 . 1 1 49 49 GLY N N 49 110.678 110.678 105.333 5.345 25177 6375 1 16 . 1 1 49 49 GLY C C 49 173.842 173.842 173.239 0.603 25177 6376 1 16 . 1 1 49 49 GLY CA C 49 45.585 45.585 44.530 1.055 25177 6377 1 16 . 1 1 49 49 GLY H H 49 8.604 8.604 8.112 0.492 25177 6378 1 16 . 1 1 50 50 ASN N N 50 120.298 120.298 118.637 1.661 25177 6379 1 16 . 1 1 50 50 ASN HA H 50 4.956 4.956 5.146 -0.190 25177 6380 1 16 . 1 1 50 50 ASN C C 50 177.904 177.904 173.926 3.978 25177 6381 1 16 . 1 1 50 50 ASN CA C 50 51.649 51.649 51.193 0.456 25177 6382 1 16 . 1 1 50 50 ASN CB C 50 38.943 38.943 39.230 -0.287 25177 6383 1 16 . 1 1 50 50 ASN H H 50 8.045 8.045 7.532 0.513 25177 6384 1 16 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.309 -0.037 25177 6385 1 16 . 1 1 51 51 PRO C C 51 178.931 178.931 177.812 1.119 25177 6386 1 16 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.389 0.720 25177 6387 1 16 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.081 -0.247 25177 6388 1 16 . 1 1 52 52 GLU N N 52 119.291 119.291 119.308 -0.017 25177 6389 1 16 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.666 0.393 25177 6390 1 16 . 1 1 52 52 GLU C C 52 178.805 178.805 177.691 1.114 25177 6391 1 16 . 1 1 52 52 GLU CA C 52 59.173 59.173 58.451 0.722 25177 6392 1 16 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.143 0.542 25177 6393 1 16 . 1 1 52 52 GLU H H 52 8.344 8.344 8.809 -0.465 25177 6394 1 16 . 1 1 53 53 VAL N N 53 120.013 120.013 119.597 0.416 25177 6395 1 16 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.333 0.169 25177 6396 1 16 . 1 1 53 53 VAL C C 53 177.587 177.587 177.512 0.075 25177 6397 1 16 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.017 0.929 25177 6398 1 16 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.223 0.253 25177 6399 1 16 . 1 1 53 53 VAL H H 53 7.304 7.304 7.247 0.057 25177 6400 1 16 . 1 1 54 54 GLU N N 54 119.848 119.848 119.790 0.058 25177 6401 1 16 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.825 0.223 25177 6402 1 16 . 1 1 54 54 GLU C C 54 178.910 178.910 178.389 0.521 25177 6403 1 16 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.796 -0.939 25177 6404 1 16 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.786 -0.087 25177 6405 1 16 . 1 1 54 54 GLU H H 54 7.820 7.820 7.601 0.219 25177 6406 1 16 . 1 1 55 55 ALA N N 55 121.463 121.463 121.287 0.176 25177 6407 1 16 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.103 0.042 25177 6408 1 16 . 1 1 55 55 ALA C C 55 180.920 180.920 179.964 0.956 25177 6409 1 16 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.772 0.487 25177 6410 1 16 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.190 -0.390 25177 6411 1 16 . 1 1 55 55 ALA H H 55 7.701 7.701 7.536 0.165 25177 6412 1 16 . 1 1 56 56 LEU N N 56 120.343 120.343 119.096 1.247 25177 6413 1 16 . 1 1 56 56 LEU HA H 56 4.145 4.145 4.065 0.080 25177 6414 1 16 . 1 1 56 56 LEU C C 56 178.721 178.721 179.036 -0.315 25177 6415 1 16 . 1 1 56 56 LEU CA C 56 57.899 57.899 57.831 0.068 25177 6416 1 16 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.587 0.611 25177 6417 1 16 . 1 1 56 56 LEU H H 56 7.656 7.656 7.178 0.478 25177 6418 1 16 . 1 1 57 57 ARG N N 57 119.950 119.950 119.675 0.275 25177 6419 1 16 . 1 1 57 57 ARG HA H 57 3.821 3.821 4.008 -0.187 25177 6420 1 16 . 1 1 57 57 ARG C C 57 179.667 179.667 178.412 1.255 25177 6421 1 16 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.318 0.869 25177 6422 1 16 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.830 -0.645 25177 6423 1 16 . 1 1 57 57 ARG H H 57 8.350 8.350 8.440 -0.090 25177 6424 1 16 . 1 1 58 58 LYS N N 58 120.501 120.501 119.937 0.564 25177 6425 1 16 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.061 -0.031 25177 6426 1 16 . 1 1 58 58 LYS C C 58 179.448 179.448 178.919 0.529 25177 6427 1 16 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.427 0.151 25177 6428 1 16 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.160 0.209 25177 6429 1 16 . 1 1 58 58 LYS H H 58 7.989 7.989 8.031 -0.042 25177 6430 1 16 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.997 0.147 25177 6431 1 16 . 1 1 59 59 GLU C C 59 178.877 178.877 178.918 -0.041 25177 6432 1 16 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.722 -0.303 25177 6433 1 16 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.657 -0.424 25177 6434 1 16 . 1 1 59 59 GLU H H 59 7.891 7.891 8.141 -0.250 25177 6435 1 16 . 1 1 60 60 ALA N N 60 122.069 122.069 121.827 0.242 25177 6436 1 16 . 1 1 60 60 ALA HA H 60 3.936 3.936 4.076 -0.140 25177 6437 1 16 . 1 1 60 60 ALA C C 60 178.379 178.379 179.649 -1.270 25177 6438 1 16 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.205 -0.311 25177 6439 1 16 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.156 -0.628 25177 6440 1 16 . 1 1 60 60 ALA H H 60 8.480 8.480 8.276 0.204 25177 6441 1 16 . 1 1 61 61 ALA N N 61 121.446 121.446 121.119 0.327 25177 6442 1 16 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.908 0.237 25177 6443 1 16 . 1 1 61 61 ALA C C 61 178.579 178.579 179.242 -0.663 25177 6444 1 16 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.982 0.458 25177 6445 1 16 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.412 -0.246 25177 6446 1 16 . 1 1 61 61 ALA H H 61 7.702 7.702 7.918 -0.216 25177 6447 1 16 . 1 1 62 62 ALA N N 62 119.705 119.705 121.678 -1.973 25177 6448 1 16 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.014 0.018 25177 6449 1 16 . 1 1 62 62 ALA C C 62 180.829 180.829 179.720 1.109 25177 6450 1 16 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.903 -0.108 25177 6451 1 16 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.491 -0.819 25177 6452 1 16 . 1 1 62 62 ALA H H 62 7.818 7.818 7.858 -0.040 25177 6453 1 16 . 1 1 63 63 ILE N N 63 121.021 121.021 119.463 1.558 25177 6454 1 16 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.596 0.255 25177 6455 1 16 . 1 1 63 63 ILE C C 63 178.076 178.076 177.694 0.382 25177 6456 1 16 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.794 -1.107 25177 6457 1 16 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.646 0.309 25177 6458 1 16 . 1 1 63 63 ILE H H 63 7.876 7.876 8.132 -0.256 25177 6459 1 16 . 1 1 64 64 ARG N N 64 121.460 121.460 120.927 0.533 25177 6460 1 16 . 1 1 64 64 ARG HA H 64 3.891 3.891 4.026 -0.135 25177 6461 1 16 . 1 1 64 64 ARG C C 64 178.617 178.617 178.332 0.285 25177 6462 1 16 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.291 1.036 25177 6463 1 16 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.539 -0.217 25177 6464 1 16 . 1 1 64 64 ARG H H 64 8.023 8.023 8.147 -0.124 25177 6465 1 16 . 1 1 65 65 ASP N N 65 119.343 119.343 119.401 -0.058 25177 6466 1 16 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.348 0.037 25177 6467 1 16 . 1 1 65 65 ASP C C 65 178.827 178.827 178.722 0.105 25177 6468 1 16 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.626 -0.313 25177 6469 1 16 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.354 0.009 25177 6470 1 16 . 1 1 65 65 ASP H H 65 8.046 8.046 8.126 -0.080 25177 6471 1 16 . 1 1 66 66 GLU N N 66 121.291 121.291 119.874 1.417 25177 6472 1 16 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.870 0.168 25177 6473 1 16 . 1 1 66 66 GLU C C 66 178.410 178.410 178.477 -0.067 25177 6474 1 16 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.284 -0.391 25177 6475 1 16 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.376 0.100 25177 6476 1 16 . 1 1 66 66 GLU H H 66 7.931 7.931 7.889 0.042 25177 6477 1 16 . 1 1 67 67 CYS N N 67 117.825 117.825 117.516 0.309 25177 6478 1 16 . 1 1 67 67 CYS HA H 67 4.199 4.199 3.435 0.764 25177 6479 1 16 . 1 1 67 67 CYS C C 67 176.095 176.095 176.957 -0.862 25177 6480 1 16 . 1 1 67 67 CYS CA C 67 61.485 61.485 63.253 -1.768 25177 6481 1 16 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.445 -0.434 25177 6482 1 16 . 1 1 67 67 CYS H H 67 8.009 8.009 8.091 -0.082 25177 6483 1 16 . 1 1 68 68 GLN N N 68 118.847 118.847 117.634 1.213 25177 6484 1 16 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.106 0.011 25177 6485 1 16 . 1 1 68 68 GLN C C 68 177.110 177.110 177.970 -0.860 25177 6486 1 16 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.483 -1.029 25177 6487 1 16 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.506 -0.158 25177 6488 1 16 . 1 1 68 68 GLN H H 68 7.906 7.906 7.902 0.004 25177 6489 1 16 . 1 1 69 69 ALA N N 69 122.260 122.260 121.636 0.624 25177 6490 1 16 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.170 -0.066 25177 6491 1 16 . 1 1 69 69 ALA C C 69 178.367 178.367 179.623 -1.256 25177 6492 1 16 . 1 1 69 69 ALA CA C 69 53.682 53.682 54.115 -0.433 25177 6493 1 16 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.144 0.052 25177 6494 1 16 . 1 1 69 69 ALA H H 69 7.648 7.648 7.687 -0.039 25177 6495 1 16 . 1 1 70 70 TYR N N 70 117.039 117.039 118.061 -1.022 25177 6496 1 16 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.279 0.131 25177 6497 1 16 . 1 1 70 70 TYR C C 70 176.061 176.061 176.534 -0.473 25177 6498 1 16 . 1 1 70 70 TYR CA C 70 58.456 58.456 59.325 -0.869 25177 6499 1 16 . 1 1 70 70 TYR CB C 70 38.211 38.211 38.693 -0.482 25177 6500 1 16 . 1 1 70 70 TYR H H 70 7.541 7.541 7.403 0.138 25177 6501 1 16 . 1 1 71 71 ARG N N 71 120.503 120.503 116.535 3.968 25177 6502 1 16 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.430 -0.186 25177 6503 1 16 . 1 1 71 71 ARG C C 71 175.759 175.759 175.081 0.678 25177 6504 1 16 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.333 -0.313 25177 6505 1 16 . 1 1 71 71 ARG CB C 71 30.629 30.629 28.725 1.904 25177 6506 1 16 . 1 1 71 71 ARG H H 71 7.541 7.541 7.581 -0.040 25177 6507 1 16 . 1 1 72 72 HIS N N 72 120.119 120.119 119.254 0.865 25177 6508 1 16 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.604 0.060 25177 6509 1 16 . 1 1 72 72 HIS C C 72 173.738 173.738 172.581 1.157 25177 6510 1 16 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.714 -1.321 25177 6511 1 16 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.929 -0.168 25177 6512 1 16 . 1 1 72 72 HIS H H 72 8.126 8.126 8.679 -0.553 25177 6513 1 17 . 1 1 3 3 SER HA H 3 4.362 4.362 4.557 -0.195 25177 6514 1 17 . 1 1 3 3 SER C C 3 176.187 176.187 176.170 0.017 25177 6515 1 17 . 1 1 3 3 SER CA C 3 55.064 55.064 59.828 -4.764 25177 6516 1 17 . 1 1 3 3 SER CB C 3 61.154 61.154 63.456 -2.302 25177 6517 1 17 . 1 1 4 4 TRP N N 4 122.487 122.487 123.711 -1.224 25177 6518 1 17 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.547 -0.015 25177 6519 1 17 . 1 1 4 4 TRP C C 4 177.481 177.481 176.727 0.754 25177 6520 1 17 . 1 1 4 4 TRP CA C 4 59.541 59.541 59.638 -0.097 25177 6521 1 17 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.719 -0.162 25177 6522 1 17 . 1 1 4 4 TRP H H 4 8.287 8.287 7.885 0.402 25177 6523 1 17 . 1 1 5 5 ALA N N 5 121.306 121.306 122.419 -1.113 25177 6524 1 17 . 1 1 5 5 ALA HA H 5 3.882 3.882 4.008 -0.126 25177 6525 1 17 . 1 1 5 5 ALA C C 5 180.462 180.462 179.664 0.798 25177 6526 1 17 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.477 -0.079 25177 6527 1 17 . 1 1 5 5 ALA CB C 5 18.029 18.029 18.138 -0.109 25177 6528 1 17 . 1 1 5 5 ALA H H 5 8.287 8.287 8.371 -0.084 25177 6529 1 17 . 1 1 6 6 GLU N N 6 118.841 118.841 118.672 0.169 25177 6530 1 17 . 1 1 6 6 GLU HA H 6 4.062 4.062 3.993 0.069 25177 6531 1 17 . 1 1 6 6 GLU C C 6 179.425 179.425 179.126 0.299 25177 6532 1 17 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.530 -0.288 25177 6533 1 17 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.549 -0.332 25177 6534 1 17 . 1 1 6 6 GLU H H 6 7.805 7.805 7.860 -0.055 25177 6535 1 17 . 1 1 7 7 PHE N N 7 120.314 120.314 118.896 1.418 25177 6536 1 17 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.218 0.147 25177 6537 1 17 . 1 1 7 7 PHE C C 7 178.168 178.168 177.759 0.409 25177 6538 1 17 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.625 -0.225 25177 6539 1 17 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.684 0.490 25177 6540 1 17 . 1 1 7 7 PHE H H 7 7.950 7.950 7.663 0.287 25177 6541 1 17 . 1 1 8 8 LYS N N 8 119.370 119.370 119.801 -0.431 25177 6542 1 17 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.696 0.111 25177 6543 1 17 . 1 1 8 8 LYS C C 8 179.501 179.501 178.850 0.651 25177 6544 1 17 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.640 0.462 25177 6545 1 17 . 1 1 8 8 LYS CB C 8 31.793 31.793 32.074 -0.281 25177 6546 1 17 . 1 1 8 8 LYS H H 8 8.214 8.214 8.143 0.071 25177 6547 1 17 . 1 1 9 9 GLN N N 9 120.219 120.219 118.704 1.515 25177 6548 1 17 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.985 0.090 25177 6549 1 17 . 1 1 9 9 GLN C C 9 178.818 178.818 178.749 0.069 25177 6550 1 17 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.255 -0.657 25177 6551 1 17 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.692 -0.592 25177 6552 1 17 . 1 1 9 9 GLN H H 9 7.859 7.859 7.984 -0.125 25177 6553 1 17 . 1 1 10 10 ARG N N 10 122.005 122.005 119.342 2.663 25177 6554 1 17 . 1 1 10 10 ARG HA H 10 4.053 4.053 4.050 0.003 25177 6555 1 17 . 1 1 10 10 ARG C C 10 179.057 179.057 178.741 0.316 25177 6556 1 17 . 1 1 10 10 ARG CA C 10 59.075 59.075 57.565 1.510 25177 6557 1 17 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.319 1.216 25177 6558 1 17 . 1 1 10 10 ARG H H 10 8.135 8.135 8.003 0.132 25177 6559 1 17 . 1 1 11 11 LEU N N 11 120.796 120.796 120.238 0.558 25177 6560 1 17 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.923 -0.282 25177 6561 1 17 . 1 1 11 11 LEU C C 11 177.921 177.921 178.710 -0.789 25177 6562 1 17 . 1 1 11 11 LEU CA C 11 57.226 57.226 58.047 -0.821 25177 6563 1 17 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.656 -1.052 25177 6564 1 17 . 1 1 11 11 LEU H H 11 8.066 8.066 8.159 -0.093 25177 6565 1 17 . 1 1 12 12 ALA N N 12 121.596 121.596 121.926 -0.330 25177 6566 1 17 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.934 0.079 25177 6567 1 17 . 1 1 12 12 ALA C C 12 180.299 180.299 179.079 1.220 25177 6568 1 17 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.121 -0.066 25177 6569 1 17 . 1 1 12 12 ALA CB C 12 17.431 17.431 18.039 -0.608 25177 6570 1 17 . 1 1 12 12 ALA H H 12 7.670 7.670 8.412 -0.742 25177 6571 1 17 . 1 1 13 13 ALA N N 13 121.486 121.486 121.474 0.012 25177 6572 1 17 . 1 1 13 13 ALA HA H 13 4.162 4.162 4.022 0.140 25177 6573 1 17 . 1 1 13 13 ALA C C 13 180.732 180.732 179.542 1.190 25177 6574 1 17 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.889 -0.008 25177 6575 1 17 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.341 -0.525 25177 6576 1 17 . 1 1 13 13 ALA H H 13 7.601 7.601 7.861 -0.260 25177 6577 1 17 . 1 1 14 14 ILE N N 14 121.912 121.912 118.351 3.561 25177 6578 1 17 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.060 0.614 25177 6579 1 17 . 1 1 14 14 ILE C C 14 177.883 177.883 177.658 0.225 25177 6580 1 17 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.219 0.602 25177 6581 1 17 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.615 0.463 25177 6582 1 17 . 1 1 14 14 ILE H H 14 7.843 7.843 8.018 -0.175 25177 6583 1 17 . 1 1 15 15 LYS N N 15 121.705 121.705 119.986 1.719 25177 6584 1 17 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.775 0.062 25177 6585 1 17 . 1 1 15 15 LYS C C 15 178.896 178.896 178.715 0.181 25177 6586 1 17 . 1 1 15 15 LYS CA C 15 60.438 60.438 59.946 0.492 25177 6587 1 17 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.228 -0.111 25177 6588 1 17 . 1 1 15 15 LYS H H 15 8.439 8.439 8.017 0.422 25177 6589 1 17 . 1 1 16 16 THR N N 16 115.218 115.218 116.419 -1.201 25177 6590 1 17 . 1 1 16 16 THR HA H 16 3.919 3.919 3.970 -0.051 25177 6591 1 17 . 1 1 16 16 THR C C 16 176.872 176.872 176.981 -0.109 25177 6592 1 17 . 1 1 16 16 THR CA C 16 66.297 66.297 66.865 -0.568 25177 6593 1 17 . 1 1 16 16 THR CB C 16 69.045 69.045 68.492 0.553 25177 6594 1 17 . 1 1 16 16 THR H H 16 7.936 7.936 8.096 -0.160 25177 6595 1 17 . 1 1 17 17 ARG N N 17 122.508 122.508 120.887 1.621 25177 6596 1 17 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.104 -0.085 25177 6597 1 17 . 1 1 17 17 ARG C C 17 178.281 178.281 178.655 -0.374 25177 6598 1 17 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.420 -0.450 25177 6599 1 17 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.923 0.215 25177 6600 1 17 . 1 1 17 17 ARG H H 17 7.781 7.781 8.050 -0.269 25177 6601 1 17 . 1 1 18 18 CYS N N 18 119.296 119.296 117.644 1.652 25177 6602 1 17 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.135 -0.661 25177 6603 1 17 . 1 1 18 18 CYS C C 18 176.151 176.151 176.205 -0.054 25177 6604 1 17 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.453 -0.098 25177 6605 1 17 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.559 -0.987 25177 6606 1 17 . 1 1 18 18 CYS H H 18 8.158 8.158 7.515 0.643 25177 6607 1 17 . 1 1 19 19 GLN N N 19 116.825 116.825 117.810 -0.985 25177 6608 1 17 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.285 -0.245 25177 6609 1 17 . 1 1 19 19 GLN C C 19 176.178 176.178 177.967 -1.789 25177 6610 1 17 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.579 -1.200 25177 6611 1 17 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.230 -0.945 25177 6612 1 17 . 1 1 19 19 GLN H H 19 7.523 7.523 8.025 -0.502 25177 6613 1 17 . 1 1 20 20 ALA N N 20 121.265 121.265 120.776 0.489 25177 6614 1 17 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.241 0.120 25177 6615 1 17 . 1 1 20 20 ALA C C 20 177.491 177.491 177.607 -0.116 25177 6616 1 17 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.486 -0.616 25177 6617 1 17 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.556 -0.365 25177 6618 1 17 . 1 1 20 20 ALA H H 20 7.322 7.322 7.718 -0.396 25177 6619 1 17 . 1 1 21 21 LEU N N 21 120.570 120.570 118.775 1.795 25177 6620 1 17 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.971 0.059 25177 6621 1 17 . 1 1 21 21 LEU C C 21 177.889 177.889 177.753 0.136 25177 6622 1 17 . 1 1 21 21 LEU CA C 21 55.960 55.960 54.549 1.411 25177 6623 1 17 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.433 3.055 25177 6624 1 17 . 1 1 21 21 LEU H H 21 7.200 7.200 7.778 -0.578 25177 6625 1 17 . 1 1 22 22 GLY N N 22 109.881 109.881 107.670 2.211 25177 6626 1 17 . 1 1 22 22 GLY C C 22 174.896 174.896 174.946 -0.050 25177 6627 1 17 . 1 1 22 22 GLY CA C 22 45.562 45.562 46.272 -0.710 25177 6628 1 17 . 1 1 22 22 GLY H H 22 8.454 8.454 8.354 0.100 25177 6629 1 17 . 1 1 23 23 GLY N N 23 107.014 107.014 107.783 -0.769 25177 6630 1 17 . 1 1 23 23 GLY C C 23 174.347 174.347 173.586 0.761 25177 6631 1 17 . 1 1 23 23 GLY CA C 23 45.514 45.514 44.750 0.764 25177 6632 1 17 . 1 1 23 23 GLY H H 23 7.759 7.759 8.072 -0.313 25177 6633 1 17 . 1 1 24 24 SER N N 24 116.572 116.572 115.677 0.895 25177 6634 1 17 . 1 1 24 24 SER HA H 24 4.519 4.519 4.622 -0.103 25177 6635 1 17 . 1 1 24 24 SER C C 24 175.184 175.184 174.203 0.981 25177 6636 1 17 . 1 1 24 24 SER CA C 24 57.853 57.853 57.650 0.203 25177 6637 1 17 . 1 1 24 24 SER CB C 24 64.487 64.487 65.412 -0.925 25177 6638 1 17 . 1 1 24 24 SER H H 24 8.096 8.096 7.981 0.115 25177 6639 1 17 . 1 1 25 25 GLU N N 25 126.083 126.083 125.292 0.791 25177 6640 1 17 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.062 -0.209 25177 6641 1 17 . 1 1 25 25 GLU C C 25 178.773 178.773 177.863 0.910 25177 6642 1 17 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.574 1.400 25177 6643 1 17 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.483 -0.301 25177 6644 1 17 . 1 1 25 25 GLU H H 25 9.042 9.042 8.835 0.207 25177 6645 1 17 . 1 1 26 26 ALA N N 26 121.614 121.614 123.061 -1.447 25177 6646 1 17 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.250 -0.103 25177 6647 1 17 . 1 1 26 26 ALA C C 26 180.987 180.987 179.319 1.668 25177 6648 1 17 . 1 1 26 26 ALA CA C 26 54.991 54.991 54.219 0.772 25177 6649 1 17 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.201 -0.102 25177 6650 1 17 . 1 1 26 26 ALA H H 26 8.514 8.514 8.076 0.438 25177 6651 1 17 . 1 1 27 27 GLU N N 27 119.564 119.564 119.969 -0.405 25177 6652 1 17 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.633 0.478 25177 6653 1 17 . 1 1 27 27 GLU C C 27 179.198 179.198 178.782 0.416 25177 6654 1 17 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.390 -0.564 25177 6655 1 17 . 1 1 27 27 GLU CB C 27 29.958 29.958 29.197 0.761 25177 6656 1 17 . 1 1 27 27 GLU H H 27 7.757 7.757 8.565 -0.808 25177 6657 1 17 . 1 1 28 28 CYS N N 28 120.060 120.060 117.290 2.770 25177 6658 1 17 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.358 -0.227 25177 6659 1 17 . 1 1 28 28 CYS C C 28 176.521 176.521 177.013 -0.492 25177 6660 1 17 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.452 0.259 25177 6661 1 17 . 1 1 28 28 CYS CB C 28 26.601 26.601 27.489 -0.888 25177 6662 1 17 . 1 1 28 28 CYS H H 28 8.145 8.145 7.737 0.408 25177 6663 1 17 . 1 1 29 29 ALA N N 29 122.930 122.930 121.918 1.012 25177 6664 1 17 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.964 0.246 25177 6665 1 17 . 1 1 29 29 ALA C C 29 179.659 179.659 178.983 0.676 25177 6666 1 17 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.055 -0.161 25177 6667 1 17 . 1 1 29 29 ALA CB C 29 17.701 17.701 18.073 -0.372 25177 6668 1 17 . 1 1 29 29 ALA H H 29 8.342 8.342 7.544 0.798 25177 6669 1 17 . 1 1 30 30 ALA N N 30 121.235 121.235 121.359 -0.124 25177 6670 1 17 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.927 0.298 25177 6671 1 17 . 1 1 30 30 ALA C C 30 180.452 180.452 179.574 0.878 25177 6672 1 17 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.830 0.131 25177 6673 1 17 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.043 -0.294 25177 6674 1 17 . 1 1 30 30 ALA H H 30 7.676 7.676 8.113 -0.437 25177 6675 1 17 . 1 1 31 31 PHE N N 31 121.297 121.297 118.224 3.073 25177 6676 1 17 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.134 0.207 25177 6677 1 17 . 1 1 31 31 PHE C C 31 177.355 177.355 177.966 -0.611 25177 6678 1 17 . 1 1 31 31 PHE CA C 31 61.019 61.019 59.978 1.041 25177 6679 1 17 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.005 1.309 25177 6680 1 17 . 1 1 31 31 PHE H H 31 8.086 8.086 7.820 0.266 25177 6681 1 17 . 1 1 32 32 GLU N N 32 119.861 119.861 119.718 0.143 25177 6682 1 17 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.880 -0.096 25177 6683 1 17 . 1 1 32 32 GLU C C 32 178.906 178.906 179.138 -0.232 25177 6684 1 17 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.201 -0.257 25177 6685 1 17 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.362 -0.419 25177 6686 1 17 . 1 1 32 32 GLU H H 32 8.417 8.417 8.242 0.175 25177 6687 1 17 . 1 1 33 33 LYS N N 33 118.133 118.133 119.334 -1.201 25177 6688 1 17 . 1 1 33 33 LYS HA H 33 4.044 4.044 4.045 -0.001 25177 6689 1 17 . 1 1 33 33 LYS C C 33 179.471 179.471 178.923 0.548 25177 6690 1 17 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.089 0.308 25177 6691 1 17 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.253 -0.022 25177 6692 1 17 . 1 1 33 33 LYS H H 33 7.491 7.491 7.956 -0.465 25177 6693 1 17 . 1 1 34 34 GLU N N 34 121.763 121.763 120.114 1.649 25177 6694 1 17 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.959 0.158 25177 6695 1 17 . 1 1 34 34 GLU C C 34 179.955 179.955 179.280 0.675 25177 6696 1 17 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.569 -0.053 25177 6697 1 17 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.615 -0.152 25177 6698 1 17 . 1 1 34 34 GLU H H 34 7.699 7.699 7.908 -0.209 25177 6699 1 17 . 1 1 35 35 ILE N N 35 121.167 121.167 119.111 2.056 25177 6700 1 17 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.719 0.064 25177 6701 1 17 . 1 1 35 35 ILE C C 35 177.219 177.219 178.114 -0.895 25177 6702 1 17 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.896 0.065 25177 6703 1 17 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.639 1.017 25177 6704 1 17 . 1 1 35 35 ILE H H 35 8.120 8.120 8.519 -0.399 25177 6705 1 17 . 1 1 36 36 ALA N N 36 124.132 124.132 123.216 0.916 25177 6706 1 17 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.205 0.141 25177 6707 1 17 . 1 1 36 36 ALA C C 36 180.915 180.915 179.698 1.217 25177 6708 1 17 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.108 -0.104 25177 6709 1 17 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.184 -0.424 25177 6710 1 17 . 1 1 36 36 ALA H H 36 8.161 8.161 8.028 0.133 25177 6711 1 17 . 1 1 37 37 ALA N N 37 121.980 121.980 120.764 1.216 25177 6712 1 17 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.165 0.025 25177 6713 1 17 . 1 1 37 37 ALA C C 37 180.126 180.126 179.775 0.351 25177 6714 1 17 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.767 0.272 25177 6715 1 17 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.382 -0.782 25177 6716 1 17 . 1 1 37 37 ALA H H 37 7.887 7.887 8.104 -0.217 25177 6717 1 17 . 1 1 38 38 PHE N N 38 121.517 121.517 119.376 2.141 25177 6718 1 17 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.197 -0.004 25177 6719 1 17 . 1 1 38 38 PHE C C 38 177.044 177.044 177.727 -0.683 25177 6720 1 17 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.899 0.586 25177 6721 1 17 . 1 1 38 38 PHE CB C 38 39.077 39.077 39.087 -0.010 25177 6722 1 17 . 1 1 38 38 PHE H H 38 7.751 7.751 8.249 -0.498 25177 6723 1 17 . 1 1 39 39 GLU N N 39 118.815 118.815 118.146 0.669 25177 6724 1 17 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.972 -0.334 25177 6725 1 17 . 1 1 39 39 GLU C C 39 179.591 179.591 178.919 0.672 25177 6726 1 17 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.617 0.805 25177 6727 1 17 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.113 0.749 25177 6728 1 17 . 1 1 39 39 GLU H H 39 8.746 8.746 8.672 0.074 25177 6729 1 17 . 1 1 40 40 SER N N 40 115.384 115.384 115.405 -0.021 25177 6730 1 17 . 1 1 40 40 SER HA H 40 4.176 4.176 4.219 -0.043 25177 6731 1 17 . 1 1 40 40 SER C C 40 177.354 177.354 176.913 0.441 25177 6732 1 17 . 1 1 40 40 SER CA C 40 61.771 61.771 60.970 0.801 25177 6733 1 17 . 1 1 40 40 SER CB C 40 62.786 62.786 62.954 -0.168 25177 6734 1 17 . 1 1 40 40 SER H H 40 8.171 8.171 8.171 -0.000 25177 6735 1 17 . 1 1 41 41 GLU N N 41 123.650 123.650 121.002 2.648 25177 6736 1 17 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.062 0.011 25177 6737 1 17 . 1 1 41 41 GLU C C 41 179.360 179.360 178.701 0.659 25177 6738 1 17 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.636 0.874 25177 6739 1 17 . 1 1 41 41 GLU CB C 41 29.521 29.521 29.926 -0.405 25177 6740 1 17 . 1 1 41 41 GLU H H 41 7.819 7.819 7.981 -0.162 25177 6741 1 17 . 1 1 42 42 LEU N N 42 119.352 119.352 118.807 0.545 25177 6742 1 17 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.149 -0.382 25177 6743 1 17 . 1 1 42 42 LEU C C 42 179.152 179.152 178.653 0.499 25177 6744 1 17 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.255 -0.291 25177 6745 1 17 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.200 -0.708 25177 6746 1 17 . 1 1 42 42 LEU H H 42 7.816 7.816 8.021 -0.205 25177 6747 1 17 . 1 1 43 43 GLN N N 43 118.423 118.423 117.373 1.050 25177 6748 1 17 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.102 -0.144 25177 6749 1 17 . 1 1 43 43 GLN C C 43 177.081 177.081 177.499 -0.418 25177 6750 1 17 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.940 0.226 25177 6751 1 17 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.154 0.053 25177 6752 1 17 . 1 1 43 43 GLN H H 43 7.785 7.785 8.158 -0.373 25177 6753 1 17 . 1 1 44 44 ALA N N 44 120.300 120.300 121.432 -1.132 25177 6754 1 17 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.151 0.010 25177 6755 1 17 . 1 1 44 44 ALA C C 44 177.823 177.823 179.097 -1.274 25177 6756 1 17 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.736 -0.580 25177 6757 1 17 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.165 0.260 25177 6758 1 17 . 1 1 44 44 ALA H H 44 7.380 7.380 7.515 -0.135 25177 6759 1 17 . 1 1 45 45 TYR N N 45 118.887 118.887 118.020 0.867 25177 6760 1 17 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.128 0.245 25177 6761 1 17 . 1 1 45 45 TYR C C 45 176.018 176.018 177.390 -1.372 25177 6762 1 17 . 1 1 45 45 TYR CA C 45 58.749 58.749 60.690 -1.941 25177 6763 1 17 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.441 0.356 25177 6764 1 17 . 1 1 45 45 TYR H H 45 7.438 7.438 7.655 -0.217 25177 6765 1 17 . 1 1 46 46 LYS N N 46 124.177 124.177 115.076 9.101 25177 6766 1 17 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.427 -0.241 25177 6767 1 17 . 1 1 46 46 LYS C C 46 176.900 176.900 175.964 0.936 25177 6768 1 17 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.178 0.540 25177 6769 1 17 . 1 1 46 46 LYS CB C 46 32.774 32.774 34.761 -1.986 25177 6770 1 17 . 1 1 46 46 LYS H H 46 7.884 7.884 8.244 -0.360 25177 6771 1 17 . 1 1 47 47 GLY N N 47 109.590 109.590 109.352 0.238 25177 6772 1 17 . 1 1 47 47 GLY C C 47 174.029 174.029 175.402 -1.373 25177 6773 1 17 . 1 1 47 47 GLY CA C 47 45.597 45.597 45.306 0.291 25177 6774 1 17 . 1 1 47 47 GLY H H 47 7.662 7.662 8.177 -0.515 25177 6775 1 17 . 1 1 48 48 LYS N N 48 120.521 120.521 119.174 1.347 25177 6776 1 17 . 1 1 48 48 LYS HA H 48 3.921 3.921 3.900 0.021 25177 6777 1 17 . 1 1 48 48 LYS C C 48 177.262 177.262 177.342 -0.080 25177 6778 1 17 . 1 1 48 48 LYS CA C 48 56.345 56.345 58.253 -1.908 25177 6779 1 17 . 1 1 48 48 LYS CB C 48 32.878 32.878 30.620 2.258 25177 6780 1 17 . 1 1 48 48 LYS H H 48 8.049 8.049 8.645 -0.596 25177 6781 1 17 . 1 1 49 49 GLY N N 49 110.678 110.678 109.433 1.245 25177 6782 1 17 . 1 1 49 49 GLY C C 49 173.842 173.842 174.802 -0.960 25177 6783 1 17 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.289 0.296 25177 6784 1 17 . 1 1 49 49 GLY H H 49 8.604 8.604 8.452 0.152 25177 6785 1 17 . 1 1 50 50 ASN N N 50 120.298 120.298 120.569 -0.271 25177 6786 1 17 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.604 0.352 25177 6787 1 17 . 1 1 50 50 ASN C C 50 177.904 177.904 174.449 3.455 25177 6788 1 17 . 1 1 50 50 ASN CA C 50 51.649 51.649 52.510 -0.861 25177 6789 1 17 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.455 0.488 25177 6790 1 17 . 1 1 50 50 ASN H H 50 8.045 8.045 8.441 -0.396 25177 6791 1 17 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.388 -0.116 25177 6792 1 17 . 1 1 51 51 PRO C C 51 178.931 178.931 177.720 1.211 25177 6793 1 17 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.510 0.599 25177 6794 1 17 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.187 -0.353 25177 6795 1 17 . 1 1 52 52 GLU N N 52 119.291 119.291 118.695 0.596 25177 6796 1 17 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.881 0.178 25177 6797 1 17 . 1 1 52 52 GLU C C 52 178.805 178.805 178.658 0.147 25177 6798 1 17 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.297 -0.124 25177 6799 1 17 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.483 0.202 25177 6800 1 17 . 1 1 52 52 GLU H H 52 8.344 8.344 8.726 -0.382 25177 6801 1 17 . 1 1 53 53 VAL N N 53 120.013 120.013 119.827 0.186 25177 6802 1 17 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.820 -0.318 25177 6803 1 17 . 1 1 53 53 VAL C C 53 177.587 177.587 178.223 -0.636 25177 6804 1 17 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.635 0.311 25177 6805 1 17 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.305 0.170 25177 6806 1 17 . 1 1 53 53 VAL H H 53 7.304 7.304 7.736 -0.432 25177 6807 1 17 . 1 1 54 54 GLU N N 54 119.848 119.848 119.960 -0.112 25177 6808 1 17 . 1 1 54 54 GLU HA H 54 4.048 4.048 4.033 0.015 25177 6809 1 17 . 1 1 54 54 GLU C C 54 178.910 178.910 178.496 0.414 25177 6810 1 17 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.652 -0.795 25177 6811 1 17 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.025 -0.326 25177 6812 1 17 . 1 1 54 54 GLU H H 54 7.820 7.820 7.579 0.241 25177 6813 1 17 . 1 1 55 55 ALA N N 55 121.463 121.463 122.513 -1.050 25177 6814 1 17 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.200 -0.055 25177 6815 1 17 . 1 1 55 55 ALA C C 55 180.920 180.920 179.850 1.070 25177 6816 1 17 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.065 0.194 25177 6817 1 17 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.406 -0.606 25177 6818 1 17 . 1 1 55 55 ALA H H 55 7.701 7.701 7.709 -0.008 25177 6819 1 17 . 1 1 56 56 LEU N N 56 120.343 120.343 118.579 1.764 25177 6820 1 17 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.979 0.166 25177 6821 1 17 . 1 1 56 56 LEU C C 56 178.721 178.721 179.515 -0.794 25177 6822 1 17 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.434 -0.536 25177 6823 1 17 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.486 0.712 25177 6824 1 17 . 1 1 56 56 LEU H H 56 7.656 7.656 7.824 -0.168 25177 6825 1 17 . 1 1 57 57 ARG N N 57 119.950 119.950 119.288 0.662 25177 6826 1 17 . 1 1 57 57 ARG HA H 57 3.821 3.821 4.050 -0.229 25177 6827 1 17 . 1 1 57 57 ARG C C 57 179.667 179.667 178.960 0.707 25177 6828 1 17 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.891 0.296 25177 6829 1 17 . 1 1 57 57 ARG CB C 57 29.185 29.185 30.089 -0.904 25177 6830 1 17 . 1 1 57 57 ARG H H 57 8.350 8.350 8.289 0.061 25177 6831 1 17 . 1 1 58 58 LYS N N 58 120.501 120.501 120.013 0.488 25177 6832 1 17 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.040 -0.010 25177 6833 1 17 . 1 1 58 58 LYS C C 58 179.448 179.448 179.066 0.382 25177 6834 1 17 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.494 0.084 25177 6835 1 17 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.181 0.188 25177 6836 1 17 . 1 1 58 58 LYS H H 58 7.989 7.989 8.113 -0.124 25177 6837 1 17 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.999 0.145 25177 6838 1 17 . 1 1 59 59 GLU C C 59 178.877 178.877 178.884 -0.007 25177 6839 1 17 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.533 -0.114 25177 6840 1 17 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.550 -0.317 25177 6841 1 17 . 1 1 59 59 GLU H H 59 7.891 7.891 8.202 -0.311 25177 6842 1 17 . 1 1 60 60 ALA N N 60 122.069 122.069 121.853 0.216 25177 6843 1 17 . 1 1 60 60 ALA HA H 60 3.936 3.936 4.001 -0.065 25177 6844 1 17 . 1 1 60 60 ALA C C 60 178.379 178.379 179.603 -1.224 25177 6845 1 17 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.165 -0.271 25177 6846 1 17 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.111 -0.583 25177 6847 1 17 . 1 1 60 60 ALA H H 60 8.480 8.480 8.210 0.270 25177 6848 1 17 . 1 1 61 61 ALA N N 61 121.446 121.446 120.620 0.826 25177 6849 1 17 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.905 0.240 25177 6850 1 17 . 1 1 61 61 ALA C C 61 178.579 178.579 179.126 -0.547 25177 6851 1 17 . 1 1 61 61 ALA CA C 61 55.440 55.440 55.005 0.435 25177 6852 1 17 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.412 -0.246 25177 6853 1 17 . 1 1 61 61 ALA H H 61 7.702 7.702 7.965 -0.263 25177 6854 1 17 . 1 1 62 62 ALA N N 62 119.705 119.705 121.826 -2.121 25177 6855 1 17 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.003 0.029 25177 6856 1 17 . 1 1 62 62 ALA C C 62 180.829 180.829 179.666 1.163 25177 6857 1 17 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.845 -0.050 25177 6858 1 17 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.466 -0.794 25177 6859 1 17 . 1 1 62 62 ALA H H 62 7.818 7.818 7.805 0.013 25177 6860 1 17 . 1 1 63 63 ILE N N 63 121.021 121.021 119.762 1.259 25177 6861 1 17 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.612 0.239 25177 6862 1 17 . 1 1 63 63 ILE C C 63 178.076 178.076 177.876 0.200 25177 6863 1 17 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.641 -0.953 25177 6864 1 17 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.593 0.362 25177 6865 1 17 . 1 1 63 63 ILE H H 63 7.876 7.876 8.194 -0.318 25177 6866 1 17 . 1 1 64 64 ARG N N 64 121.460 121.460 120.618 0.842 25177 6867 1 17 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.814 0.077 25177 6868 1 17 . 1 1 64 64 ARG C C 64 178.617 178.617 177.993 0.624 25177 6869 1 17 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.249 0.078 25177 6870 1 17 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.939 -0.617 25177 6871 1 17 . 1 1 64 64 ARG H H 64 8.023 8.023 8.170 -0.147 25177 6872 1 17 . 1 1 65 65 ASP N N 65 119.343 119.343 119.349 -0.006 25177 6873 1 17 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.307 0.078 25177 6874 1 17 . 1 1 65 65 ASP C C 65 178.827 178.827 178.814 0.013 25177 6875 1 17 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.265 0.048 25177 6876 1 17 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.035 0.327 25177 6877 1 17 . 1 1 65 65 ASP H H 65 8.046 8.046 8.150 -0.104 25177 6878 1 17 . 1 1 66 66 GLU N N 66 121.291 121.291 119.868 1.423 25177 6879 1 17 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.610 0.428 25177 6880 1 17 . 1 1 66 66 GLU C C 66 178.410 178.410 178.520 -0.110 25177 6881 1 17 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.117 -0.224 25177 6882 1 17 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.348 0.128 25177 6883 1 17 . 1 1 66 66 GLU H H 66 7.931 7.931 7.937 -0.006 25177 6884 1 17 . 1 1 67 67 CYS N N 67 117.825 117.825 118.045 -0.220 25177 6885 1 17 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.101 0.098 25177 6886 1 17 . 1 1 67 67 CYS C C 67 176.095 176.095 177.045 -0.950 25177 6887 1 17 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.016 -2.531 25177 6888 1 17 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.314 -0.302 25177 6889 1 17 . 1 1 67 67 CYS H H 67 8.009 8.009 8.137 -0.128 25177 6890 1 17 . 1 1 68 68 GLN N N 68 118.847 118.847 118.102 0.745 25177 6891 1 17 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.070 0.047 25177 6892 1 17 . 1 1 68 68 GLN C C 68 177.110 177.110 177.625 -0.515 25177 6893 1 17 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.344 -0.890 25177 6894 1 17 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.544 -0.196 25177 6895 1 17 . 1 1 68 68 GLN H H 68 7.906 7.906 7.953 -0.047 25177 6896 1 17 . 1 1 69 69 ALA N N 69 122.260 122.260 119.033 3.227 25177 6897 1 17 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.200 -0.097 25177 6898 1 17 . 1 1 69 69 ALA C C 69 178.367 178.367 178.049 0.318 25177 6899 1 17 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.335 0.347 25177 6900 1 17 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.514 -0.318 25177 6901 1 17 . 1 1 69 69 ALA H H 69 7.648 7.648 7.477 0.171 25177 6902 1 17 . 1 1 70 70 TYR N N 70 117.039 117.039 117.076 -0.037 25177 6903 1 17 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.594 -0.184 25177 6904 1 17 . 1 1 70 70 TYR C C 70 176.061 176.061 176.999 -0.938 25177 6905 1 17 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.624 -0.168 25177 6906 1 17 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.864 -1.653 25177 6907 1 17 . 1 1 70 70 TYR H H 70 7.541 7.541 7.269 0.272 25177 6908 1 17 . 1 1 71 71 ARG N N 71 120.503 120.503 118.850 1.653 25177 6909 1 17 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.589 -0.345 25177 6910 1 17 . 1 1 71 71 ARG C C 71 175.759 175.759 175.387 0.372 25177 6911 1 17 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.391 -0.371 25177 6912 1 17 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.750 -0.121 25177 6913 1 17 . 1 1 71 71 ARG H H 71 7.541 7.541 8.106 -0.565 25177 6914 1 17 . 1 1 72 72 HIS N N 72 120.119 120.119 116.216 3.903 25177 6915 1 17 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.601 0.063 25177 6916 1 17 . 1 1 72 72 HIS C C 72 173.738 173.738 173.067 0.671 25177 6917 1 17 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.224 -0.831 25177 6918 1 17 . 1 1 72 72 HIS CB C 72 29.761 29.761 30.294 -0.533 25177 6919 1 17 . 1 1 72 72 HIS H H 72 8.126 8.126 8.305 -0.179 25177 6920 1 18 . 1 1 3 3 SER HA H 3 4.362 4.362 4.348 0.014 25177 6921 1 18 . 1 1 3 3 SER C C 3 176.187 176.187 176.015 0.172 25177 6922 1 18 . 1 1 3 3 SER CA C 3 55.064 55.064 61.014 -5.950 25177 6923 1 18 . 1 1 3 3 SER CB C 3 61.154 61.154 63.306 -2.152 25177 6924 1 18 . 1 1 4 4 TRP N N 4 122.487 122.487 122.554 -0.067 25177 6925 1 18 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.339 0.193 25177 6926 1 18 . 1 1 4 4 TRP C C 4 177.481 177.481 177.059 0.422 25177 6927 1 18 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.294 -0.753 25177 6928 1 18 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.402 0.155 25177 6929 1 18 . 1 1 4 4 TRP H H 4 8.287 8.287 7.943 0.344 25177 6930 1 18 . 1 1 5 5 ALA N N 5 121.306 121.306 121.137 0.169 25177 6931 1 18 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.969 -0.087 25177 6932 1 18 . 1 1 5 5 ALA C C 5 180.462 180.462 179.578 0.884 25177 6933 1 18 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.433 -0.035 25177 6934 1 18 . 1 1 5 5 ALA CB C 5 18.029 18.029 18.050 -0.021 25177 6935 1 18 . 1 1 5 5 ALA H H 5 8.287 8.287 7.671 0.616 25177 6936 1 18 . 1 1 6 6 GLU N N 6 118.841 118.841 119.275 -0.434 25177 6937 1 18 . 1 1 6 6 GLU HA H 6 4.062 4.062 3.990 0.071 25177 6938 1 18 . 1 1 6 6 GLU C C 6 179.425 179.425 178.942 0.483 25177 6939 1 18 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.346 -0.104 25177 6940 1 18 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.635 -0.418 25177 6941 1 18 . 1 1 6 6 GLU H H 6 7.805 7.805 7.782 0.023 25177 6942 1 18 . 1 1 7 7 PHE N N 7 120.314 120.314 118.598 1.716 25177 6943 1 18 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.208 0.157 25177 6944 1 18 . 1 1 7 7 PHE C C 7 178.168 178.168 177.935 0.233 25177 6945 1 18 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.875 -0.475 25177 6946 1 18 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.861 0.313 25177 6947 1 18 . 1 1 7 7 PHE H H 7 7.950 7.950 7.912 0.038 25177 6948 1 18 . 1 1 8 8 LYS N N 8 119.370 119.370 119.658 -0.288 25177 6949 1 18 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.797 0.010 25177 6950 1 18 . 1 1 8 8 LYS C C 8 179.501 179.501 178.968 0.533 25177 6951 1 18 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.112 0.990 25177 6952 1 18 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.900 -0.107 25177 6953 1 18 . 1 1 8 8 LYS H H 8 8.214 8.214 8.242 -0.028 25177 6954 1 18 . 1 1 9 9 GLN N N 9 120.219 120.219 118.709 1.510 25177 6955 1 18 . 1 1 9 9 GLN HA H 9 4.075 4.075 4.021 0.053 25177 6956 1 18 . 1 1 9 9 GLN C C 9 178.818 178.818 178.649 0.169 25177 6957 1 18 . 1 1 9 9 GLN CA C 9 58.598 58.598 58.864 -0.266 25177 6958 1 18 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.499 -0.399 25177 6959 1 18 . 1 1 9 9 GLN H H 9 7.859 7.859 8.077 -0.218 25177 6960 1 18 . 1 1 10 10 ARG N N 10 122.005 122.005 119.838 2.167 25177 6961 1 18 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.893 0.160 25177 6962 1 18 . 1 1 10 10 ARG C C 10 179.057 179.057 178.881 0.176 25177 6963 1 18 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.443 -0.368 25177 6964 1 18 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.794 0.741 25177 6965 1 18 . 1 1 10 10 ARG H H 10 8.135 8.135 7.994 0.141 25177 6966 1 18 . 1 1 11 11 LEU N N 11 120.796 120.796 119.648 1.148 25177 6967 1 18 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.769 -0.128 25177 6968 1 18 . 1 1 11 11 LEU C C 11 177.921 177.921 178.408 -0.487 25177 6969 1 18 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.775 -0.549 25177 6970 1 18 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.464 -0.860 25177 6971 1 18 . 1 1 11 11 LEU H H 11 8.066 8.066 8.053 0.013 25177 6972 1 18 . 1 1 12 12 ALA N N 12 121.596 121.596 121.658 -0.062 25177 6973 1 18 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.832 0.181 25177 6974 1 18 . 1 1 12 12 ALA C C 12 180.299 180.299 179.124 1.175 25177 6975 1 18 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.232 -0.177 25177 6976 1 18 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.975 -0.544 25177 6977 1 18 . 1 1 12 12 ALA H H 12 7.670 7.670 8.036 -0.366 25177 6978 1 18 . 1 1 13 13 ALA N N 13 121.486 121.486 121.444 0.042 25177 6979 1 18 . 1 1 13 13 ALA HA H 13 4.162 4.162 4.010 0.152 25177 6980 1 18 . 1 1 13 13 ALA C C 13 180.732 180.732 179.523 1.209 25177 6981 1 18 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.876 0.005 25177 6982 1 18 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.429 -0.613 25177 6983 1 18 . 1 1 13 13 ALA H H 13 7.601 7.601 7.866 -0.265 25177 6984 1 18 . 1 1 14 14 ILE N N 14 121.912 121.912 118.279 3.633 25177 6985 1 18 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.042 0.632 25177 6986 1 18 . 1 1 14 14 ILE C C 14 177.883 177.883 178.228 -0.345 25177 6987 1 18 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.362 0.459 25177 6988 1 18 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.225 0.853 25177 6989 1 18 . 1 1 14 14 ILE H H 14 7.843 7.843 7.969 -0.126 25177 6990 1 18 . 1 1 15 15 LYS N N 15 121.705 121.705 120.261 1.444 25177 6991 1 18 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.978 -0.141 25177 6992 1 18 . 1 1 15 15 LYS C C 15 178.896 178.896 178.976 -0.080 25177 6993 1 18 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.426 0.012 25177 6994 1 18 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.505 -0.388 25177 6995 1 18 . 1 1 15 15 LYS H H 15 8.439 8.439 8.193 0.246 25177 6996 1 18 . 1 1 16 16 THR N N 16 115.218 115.218 116.994 -1.776 25177 6997 1 18 . 1 1 16 16 THR HA H 16 3.919 3.919 3.983 -0.064 25177 6998 1 18 . 1 1 16 16 THR C C 16 176.872 176.872 176.976 -0.104 25177 6999 1 18 . 1 1 16 16 THR CA C 16 66.297 66.297 67.337 -1.040 25177 7000 1 18 . 1 1 16 16 THR CB C 16 69.045 69.045 68.669 0.376 25177 7001 1 18 . 1 1 16 16 THR H H 16 7.936 7.936 8.210 -0.274 25177 7002 1 18 . 1 1 17 17 ARG N N 17 122.508 122.508 121.618 0.890 25177 7003 1 18 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.128 -0.109 25177 7004 1 18 . 1 1 17 17 ARG C C 17 178.281 178.281 178.766 -0.485 25177 7005 1 18 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.635 -0.665 25177 7006 1 18 . 1 1 17 17 ARG CB C 17 30.138 30.138 30.269 -0.131 25177 7007 1 18 . 1 1 17 17 ARG H H 17 7.781 7.781 8.298 -0.517 25177 7008 1 18 . 1 1 18 18 CYS N N 18 119.296 119.296 118.168 1.128 25177 7009 1 18 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.311 -0.837 25177 7010 1 18 . 1 1 18 18 CYS C C 18 176.151 176.151 176.787 -0.636 25177 7011 1 18 . 1 1 18 18 CYS CA C 18 61.355 61.355 62.017 -0.662 25177 7012 1 18 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.728 -1.156 25177 7013 1 18 . 1 1 18 18 CYS H H 18 8.158 8.158 8.202 -0.044 25177 7014 1 18 . 1 1 19 19 GLN N N 19 116.825 116.825 119.209 -2.384 25177 7015 1 18 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.201 -0.161 25177 7016 1 18 . 1 1 19 19 GLN C C 19 176.178 176.178 177.935 -1.757 25177 7017 1 18 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.437 -1.058 25177 7018 1 18 . 1 1 19 19 GLN CB C 19 28.284 28.284 28.892 -0.608 25177 7019 1 18 . 1 1 19 19 GLN H H 19 7.523 7.523 7.925 -0.402 25177 7020 1 18 . 1 1 20 20 ALA N N 20 121.265 121.265 119.897 1.368 25177 7021 1 18 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.217 0.144 25177 7022 1 18 . 1 1 20 20 ALA C C 20 177.491 177.491 177.884 -0.393 25177 7023 1 18 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.680 -0.810 25177 7024 1 18 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.493 -0.302 25177 7025 1 18 . 1 1 20 20 ALA H H 20 7.322 7.322 7.850 -0.528 25177 7026 1 18 . 1 1 21 21 LEU N N 21 120.570 120.570 116.296 4.274 25177 7027 1 18 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.866 0.164 25177 7028 1 18 . 1 1 21 21 LEU C C 21 177.889 177.889 176.878 1.011 25177 7029 1 18 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.221 0.739 25177 7030 1 18 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.368 3.120 25177 7031 1 18 . 1 1 21 21 LEU H H 21 7.200 7.200 7.750 -0.550 25177 7032 1 18 . 1 1 22 22 GLY N N 22 109.881 109.881 104.487 5.394 25177 7033 1 18 . 1 1 22 22 GLY C C 22 174.896 174.896 174.650 0.246 25177 7034 1 18 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.626 0.936 25177 7035 1 18 . 1 1 22 22 GLY H H 22 8.454 8.454 7.872 0.582 25177 7036 1 18 . 1 1 23 23 GLY N N 23 107.014 107.014 109.391 -2.377 25177 7037 1 18 . 1 1 23 23 GLY C C 23 174.347 174.347 174.099 0.248 25177 7038 1 18 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.079 0.435 25177 7039 1 18 . 1 1 23 23 GLY H H 23 7.759 7.759 8.289 -0.530 25177 7040 1 18 . 1 1 24 24 SER N N 24 116.572 116.572 112.825 3.747 25177 7041 1 18 . 1 1 24 24 SER HA H 24 4.519 4.519 4.544 -0.025 25177 7042 1 18 . 1 1 24 24 SER C C 24 175.184 175.184 173.604 1.580 25177 7043 1 18 . 1 1 24 24 SER CA C 24 57.853 57.853 57.771 0.082 25177 7044 1 18 . 1 1 24 24 SER CB C 24 64.487 64.487 64.888 -0.400 25177 7045 1 18 . 1 1 24 24 SER H H 24 8.096 8.096 7.483 0.613 25177 7046 1 18 . 1 1 25 25 GLU N N 25 126.083 126.083 124.046 2.037 25177 7047 1 18 . 1 1 25 25 GLU HA H 25 3.853 3.853 3.997 -0.144 25177 7048 1 18 . 1 1 25 25 GLU C C 25 178.773 178.773 177.630 1.143 25177 7049 1 18 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.988 0.986 25177 7050 1 18 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.688 -0.506 25177 7051 1 18 . 1 1 25 25 GLU H H 25 9.042 9.042 8.722 0.320 25177 7052 1 18 . 1 1 26 26 ALA N N 26 121.614 121.614 122.635 -1.021 25177 7053 1 18 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.288 -0.141 25177 7054 1 18 . 1 1 26 26 ALA C C 26 180.987 180.987 179.481 1.506 25177 7055 1 18 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.925 1.065 25177 7056 1 18 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.074 0.025 25177 7057 1 18 . 1 1 26 26 ALA H H 26 8.514 8.514 7.993 0.521 25177 7058 1 18 . 1 1 27 27 GLU N N 27 119.564 119.564 120.017 -0.453 25177 7059 1 18 . 1 1 27 27 GLU HA H 27 4.111 4.111 4.001 0.110 25177 7060 1 18 . 1 1 27 27 GLU C C 27 179.198 179.198 178.510 0.688 25177 7061 1 18 . 1 1 27 27 GLU CA C 27 58.826 58.826 58.785 0.041 25177 7062 1 18 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.727 1.231 25177 7063 1 18 . 1 1 27 27 GLU H H 27 7.757 7.757 8.513 -0.756 25177 7064 1 18 . 1 1 28 28 CYS N N 28 120.060 120.060 117.597 2.463 25177 7065 1 18 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.906 0.225 25177 7066 1 18 . 1 1 28 28 CYS C C 28 176.521 176.521 176.702 -0.181 25177 7067 1 18 . 1 1 28 28 CYS CA C 28 63.711 63.711 64.057 -0.346 25177 7068 1 18 . 1 1 28 28 CYS CB C 28 26.601 26.601 27.090 -0.489 25177 7069 1 18 . 1 1 28 28 CYS H H 28 8.145 8.145 7.832 0.313 25177 7070 1 18 . 1 1 29 29 ALA N N 29 122.930 122.930 122.380 0.550 25177 7071 1 18 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.964 0.246 25177 7072 1 18 . 1 1 29 29 ALA C C 29 179.659 179.659 178.875 0.784 25177 7073 1 18 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.219 -0.325 25177 7074 1 18 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.882 -0.181 25177 7075 1 18 . 1 1 29 29 ALA H H 29 8.342 8.342 7.782 0.560 25177 7076 1 18 . 1 1 30 30 ALA N N 30 121.235 121.235 121.163 0.072 25177 7077 1 18 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.088 0.137 25177 7078 1 18 . 1 1 30 30 ALA C C 30 180.452 180.452 179.817 0.635 25177 7079 1 18 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.899 0.061 25177 7080 1 18 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.243 -0.494 25177 7081 1 18 . 1 1 30 30 ALA H H 30 7.676 7.676 7.696 -0.020 25177 7082 1 18 . 1 1 31 31 PHE N N 31 121.297 121.297 119.537 1.760 25177 7083 1 18 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.229 0.112 25177 7084 1 18 . 1 1 31 31 PHE C C 31 177.355 177.355 177.833 -0.478 25177 7085 1 18 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.080 0.939 25177 7086 1 18 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.575 0.739 25177 7087 1 18 . 1 1 31 31 PHE H H 31 8.086 8.086 8.167 -0.081 25177 7088 1 18 . 1 1 32 32 GLU N N 32 119.861 119.861 119.979 -0.118 25177 7089 1 18 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.897 -0.113 25177 7090 1 18 . 1 1 32 32 GLU C C 32 178.906 178.906 178.972 -0.066 25177 7091 1 18 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.172 -0.228 25177 7092 1 18 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.537 -0.594 25177 7093 1 18 . 1 1 32 32 GLU H H 32 8.417 8.417 8.301 0.116 25177 7094 1 18 . 1 1 33 33 LYS N N 33 118.133 118.133 119.209 -1.076 25177 7095 1 18 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.971 0.073 25177 7096 1 18 . 1 1 33 33 LYS C C 33 179.471 179.471 178.927 0.544 25177 7097 1 18 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.833 -0.436 25177 7098 1 18 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.303 -0.072 25177 7099 1 18 . 1 1 33 33 LYS H H 33 7.491 7.491 7.985 -0.494 25177 7100 1 18 . 1 1 34 34 GLU N N 34 121.763 121.763 119.822 1.941 25177 7101 1 18 . 1 1 34 34 GLU HA H 34 4.117 4.117 4.002 0.115 25177 7102 1 18 . 1 1 34 34 GLU C C 34 179.955 179.955 179.154 0.801 25177 7103 1 18 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.436 0.080 25177 7104 1 18 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.542 -0.079 25177 7105 1 18 . 1 1 34 34 GLU H H 34 7.699 7.699 7.949 -0.250 25177 7106 1 18 . 1 1 35 35 ILE N N 35 121.167 121.167 119.295 1.872 25177 7107 1 18 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.643 0.140 25177 7108 1 18 . 1 1 35 35 ILE C C 35 177.219 177.219 178.124 -0.905 25177 7109 1 18 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.925 0.036 25177 7110 1 18 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.659 0.997 25177 7111 1 18 . 1 1 35 35 ILE H H 35 8.120 8.120 7.972 0.148 25177 7112 1 18 . 1 1 36 36 ALA N N 36 124.132 124.132 122.336 1.796 25177 7113 1 18 . 1 1 36 36 ALA HA H 36 4.346 4.346 3.957 0.389 25177 7114 1 18 . 1 1 36 36 ALA C C 36 180.915 180.915 179.636 1.279 25177 7115 1 18 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.463 -0.459 25177 7116 1 18 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.053 -0.293 25177 7117 1 18 . 1 1 36 36 ALA H H 36 8.161 8.161 8.106 0.055 25177 7118 1 18 . 1 1 37 37 ALA N N 37 121.980 121.980 120.737 1.243 25177 7119 1 18 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.153 0.037 25177 7120 1 18 . 1 1 37 37 ALA C C 37 180.126 180.126 179.763 0.363 25177 7121 1 18 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.731 0.309 25177 7122 1 18 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.372 -0.772 25177 7123 1 18 . 1 1 37 37 ALA H H 37 7.887 7.887 8.034 -0.147 25177 7124 1 18 . 1 1 38 38 PHE N N 38 121.517 121.517 119.362 2.155 25177 7125 1 18 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.218 -0.025 25177 7126 1 18 . 1 1 38 38 PHE C C 38 177.044 177.044 177.656 -0.612 25177 7127 1 18 . 1 1 38 38 PHE CA C 38 61.485 61.485 61.648 -0.163 25177 7128 1 18 . 1 1 38 38 PHE CB C 38 39.077 39.077 39.218 -0.141 25177 7129 1 18 . 1 1 38 38 PHE H H 38 7.751 7.751 8.314 -0.563 25177 7130 1 18 . 1 1 39 39 GLU N N 39 118.815 118.815 118.173 0.642 25177 7131 1 18 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.929 -0.291 25177 7132 1 18 . 1 1 39 39 GLU C C 39 179.591 179.591 178.856 0.735 25177 7133 1 18 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.517 0.904 25177 7134 1 18 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.130 0.732 25177 7135 1 18 . 1 1 39 39 GLU H H 39 8.746 8.746 8.585 0.161 25177 7136 1 18 . 1 1 40 40 SER N N 40 115.384 115.384 115.445 -0.061 25177 7137 1 18 . 1 1 40 40 SER HA H 40 4.176 4.176 4.216 -0.040 25177 7138 1 18 . 1 1 40 40 SER C C 40 177.354 177.354 176.855 0.499 25177 7139 1 18 . 1 1 40 40 SER CA C 40 61.771 61.771 60.966 0.805 25177 7140 1 18 . 1 1 40 40 SER CB C 40 62.786 62.786 63.007 -0.221 25177 7141 1 18 . 1 1 40 40 SER H H 40 8.171 8.171 8.154 0.017 25177 7142 1 18 . 1 1 41 41 GLU N N 41 123.650 123.650 121.094 2.556 25177 7143 1 18 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.084 -0.011 25177 7144 1 18 . 1 1 41 41 GLU C C 41 179.360 179.360 178.516 0.844 25177 7145 1 18 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.490 1.020 25177 7146 1 18 . 1 1 41 41 GLU CB C 41 29.521 29.521 29.923 -0.402 25177 7147 1 18 . 1 1 41 41 GLU H H 41 7.819 7.819 7.889 -0.070 25177 7148 1 18 . 1 1 42 42 LEU N N 42 119.352 119.352 118.425 0.927 25177 7149 1 18 . 1 1 42 42 LEU HA H 42 3.767 3.767 4.001 -0.234 25177 7150 1 18 . 1 1 42 42 LEU C C 42 179.152 179.152 178.668 0.484 25177 7151 1 18 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.120 -0.156 25177 7152 1 18 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.156 -0.664 25177 7153 1 18 . 1 1 42 42 LEU H H 42 7.816 7.816 7.923 -0.107 25177 7154 1 18 . 1 1 43 43 GLN N N 43 118.423 118.423 117.499 0.924 25177 7155 1 18 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.079 -0.121 25177 7156 1 18 . 1 1 43 43 GLN C C 43 177.081 177.081 177.232 -0.151 25177 7157 1 18 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.872 0.293 25177 7158 1 18 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.262 -0.056 25177 7159 1 18 . 1 1 43 43 GLN H H 43 7.785 7.785 8.023 -0.238 25177 7160 1 18 . 1 1 44 44 ALA N N 44 120.300 120.300 120.394 -0.094 25177 7161 1 18 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.100 0.061 25177 7162 1 18 . 1 1 44 44 ALA C C 44 177.823 177.823 178.855 -1.032 25177 7163 1 18 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.269 -0.113 25177 7164 1 18 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.479 -0.054 25177 7165 1 18 . 1 1 44 44 ALA H H 44 7.380 7.380 7.532 -0.152 25177 7166 1 18 . 1 1 45 45 TYR N N 45 118.887 118.887 118.434 0.453 25177 7167 1 18 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.110 0.263 25177 7168 1 18 . 1 1 45 45 TYR C C 45 176.018 176.018 177.101 -1.083 25177 7169 1 18 . 1 1 45 45 TYR CA C 45 58.749 58.749 60.902 -2.153 25177 7170 1 18 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.465 0.332 25177 7171 1 18 . 1 1 45 45 TYR H H 45 7.438 7.438 7.383 0.055 25177 7172 1 18 . 1 1 46 46 LYS N N 46 124.177 124.177 114.729 9.448 25177 7173 1 18 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.348 -0.162 25177 7174 1 18 . 1 1 46 46 LYS C C 46 176.900 176.900 177.310 -0.410 25177 7175 1 18 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.986 -0.268 25177 7176 1 18 . 1 1 46 46 LYS CB C 46 32.774 32.774 33.592 -0.818 25177 7177 1 18 . 1 1 46 46 LYS H H 46 7.884 7.884 8.156 -0.272 25177 7178 1 18 . 1 1 47 47 GLY N N 47 109.590 109.590 108.797 0.793 25177 7179 1 18 . 1 1 47 47 GLY C C 47 174.029 174.029 175.114 -1.085 25177 7180 1 18 . 1 1 47 47 GLY CA C 47 45.597 45.597 46.233 -0.637 25177 7181 1 18 . 1 1 47 47 GLY H H 47 7.662 7.662 8.321 -0.659 25177 7182 1 18 . 1 1 48 48 LYS N N 48 120.521 120.521 122.975 -2.454 25177 7183 1 18 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.140 -0.219 25177 7184 1 18 . 1 1 48 48 LYS C C 48 177.262 177.262 178.370 -1.108 25177 7185 1 18 . 1 1 48 48 LYS CA C 48 56.345 56.345 58.781 -2.436 25177 7186 1 18 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.446 0.432 25177 7187 1 18 . 1 1 48 48 LYS H H 48 8.049 8.049 7.630 0.419 25177 7188 1 18 . 1 1 49 49 GLY N N 49 110.678 110.678 106.004 4.674 25177 7189 1 18 . 1 1 49 49 GLY C C 49 173.842 173.842 174.317 -0.475 25177 7190 1 18 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.576 0.009 25177 7191 1 18 . 1 1 49 49 GLY H H 49 8.604 8.604 8.228 0.376 25177 7192 1 18 . 1 1 50 50 ASN N N 50 120.298 120.298 117.797 2.501 25177 7193 1 18 . 1 1 50 50 ASN HA H 50 4.956 4.956 5.072 -0.116 25177 7194 1 18 . 1 1 50 50 ASN C C 50 177.904 177.904 174.453 3.451 25177 7195 1 18 . 1 1 50 50 ASN CA C 50 51.649 51.649 50.585 1.064 25177 7196 1 18 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.776 0.167 25177 7197 1 18 . 1 1 50 50 ASN H H 50 8.045 8.045 8.046 -0.001 25177 7198 1 18 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.495 -0.223 25177 7199 1 18 . 1 1 51 51 PRO C C 51 178.931 178.931 178.211 0.720 25177 7200 1 18 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.253 0.856 25177 7201 1 18 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.119 -0.285 25177 7202 1 18 . 1 1 52 52 GLU N N 52 119.291 119.291 119.406 -0.115 25177 7203 1 18 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.998 0.061 25177 7204 1 18 . 1 1 52 52 GLU C C 52 178.805 178.805 178.114 0.691 25177 7205 1 18 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.053 0.119 25177 7206 1 18 . 1 1 52 52 GLU CB C 52 28.685 28.685 27.821 0.864 25177 7207 1 18 . 1 1 52 52 GLU H H 52 8.344 8.344 8.610 -0.266 25177 7208 1 18 . 1 1 53 53 VAL N N 53 120.013 120.013 120.609 -0.596 25177 7209 1 18 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.837 -0.335 25177 7210 1 18 . 1 1 53 53 VAL C C 53 177.587 177.587 177.472 0.115 25177 7211 1 18 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.482 0.464 25177 7212 1 18 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.050 0.425 25177 7213 1 18 . 1 1 53 53 VAL H H 53 7.304 7.304 7.588 -0.284 25177 7214 1 18 . 1 1 54 54 GLU N N 54 119.848 119.848 120.993 -1.145 25177 7215 1 18 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.972 0.076 25177 7216 1 18 . 1 1 54 54 GLU C C 54 178.910 178.910 178.453 0.457 25177 7217 1 18 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.613 -0.756 25177 7218 1 18 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.392 0.307 25177 7219 1 18 . 1 1 54 54 GLU H H 54 7.820 7.820 8.513 -0.693 25177 7220 1 18 . 1 1 55 55 ALA N N 55 121.463 121.463 121.902 -0.439 25177 7221 1 18 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.191 -0.046 25177 7222 1 18 . 1 1 55 55 ALA C C 55 180.920 180.920 179.565 1.355 25177 7223 1 18 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.008 0.251 25177 7224 1 18 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.498 -0.698 25177 7225 1 18 . 1 1 55 55 ALA H H 55 7.701 7.701 7.867 -0.166 25177 7226 1 18 . 1 1 56 56 LEU N N 56 120.343 120.343 119.531 0.812 25177 7227 1 18 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.994 0.151 25177 7228 1 18 . 1 1 56 56 LEU C C 56 178.721 178.721 179.660 -0.939 25177 7229 1 18 . 1 1 56 56 LEU CA C 56 57.899 57.899 57.785 0.114 25177 7230 1 18 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.426 0.772 25177 7231 1 18 . 1 1 56 56 LEU H H 56 7.656 7.656 7.996 -0.340 25177 7232 1 18 . 1 1 57 57 ARG N N 57 119.950 119.950 119.182 0.768 25177 7233 1 18 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.944 -0.123 25177 7234 1 18 . 1 1 57 57 ARG C C 57 179.667 179.667 178.592 1.075 25177 7235 1 18 . 1 1 57 57 ARG CA C 57 60.187 60.187 60.189 -0.002 25177 7236 1 18 . 1 1 57 57 ARG CB C 57 29.185 29.185 30.192 -1.007 25177 7237 1 18 . 1 1 57 57 ARG H H 57 8.350 8.350 8.533 -0.183 25177 7238 1 18 . 1 1 58 58 LYS N N 58 120.501 120.501 119.662 0.839 25177 7239 1 18 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.040 -0.010 25177 7240 1 18 . 1 1 58 58 LYS C C 58 179.448 179.448 179.140 0.308 25177 7241 1 18 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.266 0.312 25177 7242 1 18 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.021 0.348 25177 7243 1 18 . 1 1 58 58 LYS H H 58 7.989 7.989 8.038 -0.049 25177 7244 1 18 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.999 0.145 25177 7245 1 18 . 1 1 59 59 GLU C C 59 178.877 178.877 178.947 -0.070 25177 7246 1 18 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.413 0.006 25177 7247 1 18 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.486 -0.253 25177 7248 1 18 . 1 1 59 59 GLU H H 59 7.891 7.891 8.161 -0.270 25177 7249 1 18 . 1 1 60 60 ALA N N 60 122.069 122.069 121.810 0.259 25177 7250 1 18 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.979 -0.043 25177 7251 1 18 . 1 1 60 60 ALA C C 60 178.379 178.379 179.537 -1.158 25177 7252 1 18 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.137 -0.243 25177 7253 1 18 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.114 -0.586 25177 7254 1 18 . 1 1 60 60 ALA H H 60 8.480 8.480 8.065 0.415 25177 7255 1 18 . 1 1 61 61 ALA N N 61 121.446 121.446 121.164 0.282 25177 7256 1 18 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.961 0.184 25177 7257 1 18 . 1 1 61 61 ALA C C 61 178.579 178.579 179.396 -0.817 25177 7258 1 18 . 1 1 61 61 ALA CA C 61 55.440 55.440 55.033 0.407 25177 7259 1 18 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.414 -0.248 25177 7260 1 18 . 1 1 61 61 ALA H H 61 7.702 7.702 8.010 -0.308 25177 7261 1 18 . 1 1 62 62 ALA N N 62 119.705 119.705 121.798 -2.093 25177 7262 1 18 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.156 -0.124 25177 7263 1 18 . 1 1 62 62 ALA C C 62 180.829 180.829 179.764 1.065 25177 7264 1 18 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.858 -0.063 25177 7265 1 18 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.490 -0.818 25177 7266 1 18 . 1 1 62 62 ALA H H 62 7.818 7.818 7.805 0.013 25177 7267 1 18 . 1 1 63 63 ILE N N 63 121.021 121.021 119.664 1.357 25177 7268 1 18 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.667 0.184 25177 7269 1 18 . 1 1 63 63 ILE C C 63 178.076 178.076 177.941 0.135 25177 7270 1 18 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.733 -1.045 25177 7271 1 18 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.617 0.338 25177 7272 1 18 . 1 1 63 63 ILE H H 63 7.876 7.876 8.192 -0.316 25177 7273 1 18 . 1 1 64 64 ARG N N 64 121.460 121.460 120.570 0.890 25177 7274 1 18 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.839 0.052 25177 7275 1 18 . 1 1 64 64 ARG C C 64 178.617 178.617 178.056 0.561 25177 7276 1 18 . 1 1 64 64 ARG CA C 64 60.327 60.327 60.165 0.162 25177 7277 1 18 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.946 -0.624 25177 7278 1 18 . 1 1 64 64 ARG H H 64 8.023 8.023 8.188 -0.165 25177 7279 1 18 . 1 1 65 65 ASP N N 65 119.343 119.343 119.301 0.042 25177 7280 1 18 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.328 0.057 25177 7281 1 18 . 1 1 65 65 ASP C C 65 178.827 178.827 178.748 0.079 25177 7282 1 18 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.428 -0.115 25177 7283 1 18 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.078 0.285 25177 7284 1 18 . 1 1 65 65 ASP H H 65 8.046 8.046 8.165 -0.119 25177 7285 1 18 . 1 1 66 66 GLU N N 66 121.291 121.291 120.046 1.245 25177 7286 1 18 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.690 0.348 25177 7287 1 18 . 1 1 66 66 GLU C C 66 178.410 178.410 178.603 -0.193 25177 7288 1 18 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.365 -0.472 25177 7289 1 18 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.267 0.209 25177 7290 1 18 . 1 1 66 66 GLU H H 66 7.931 7.931 8.009 -0.078 25177 7291 1 18 . 1 1 67 67 CYS N N 67 117.825 117.825 117.976 -0.151 25177 7292 1 18 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.115 0.084 25177 7293 1 18 . 1 1 67 67 CYS C C 67 176.095 176.095 177.101 -1.006 25177 7294 1 18 . 1 1 67 67 CYS CA C 67 61.485 61.485 63.974 -2.489 25177 7295 1 18 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.604 -0.593 25177 7296 1 18 . 1 1 67 67 CYS H H 67 8.009 8.009 8.192 -0.183 25177 7297 1 18 . 1 1 68 68 GLN N N 68 118.847 118.847 118.102 0.745 25177 7298 1 18 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.035 0.082 25177 7299 1 18 . 1 1 68 68 GLN C C 68 177.110 177.110 178.802 -1.692 25177 7300 1 18 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.611 -1.157 25177 7301 1 18 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.133 0.215 25177 7302 1 18 . 1 1 68 68 GLN H H 68 7.906 7.906 7.911 -0.005 25177 7303 1 18 . 1 1 69 69 ALA N N 69 122.260 122.260 123.382 -1.122 25177 7304 1 18 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.092 0.011 25177 7305 1 18 . 1 1 69 69 ALA C C 69 178.367 178.367 179.872 -1.505 25177 7306 1 18 . 1 1 69 69 ALA CA C 69 53.682 53.682 54.781 -1.099 25177 7307 1 18 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.105 0.091 25177 7308 1 18 . 1 1 69 69 ALA H H 69 7.648 7.648 7.837 -0.189 25177 7309 1 18 . 1 1 70 70 TYR N N 70 117.039 117.039 116.470 0.569 25177 7310 1 18 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.327 0.083 25177 7311 1 18 . 1 1 70 70 TYR C C 70 176.061 176.061 176.823 -0.762 25177 7312 1 18 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.964 -0.508 25177 7313 1 18 . 1 1 70 70 TYR CB C 70 38.211 38.211 37.773 0.438 25177 7314 1 18 . 1 1 70 70 TYR H H 70 7.541 7.541 7.693 -0.152 25177 7315 1 18 . 1 1 71 71 ARG N N 71 120.503 120.503 118.113 2.390 25177 7316 1 18 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.346 -0.102 25177 7317 1 18 . 1 1 71 71 ARG C C 71 175.759 175.759 176.111 -0.352 25177 7318 1 18 . 1 1 71 71 ARG CA C 71 56.020 56.020 55.472 0.548 25177 7319 1 18 . 1 1 71 71 ARG CB C 71 30.629 30.629 29.325 1.304 25177 7320 1 18 . 1 1 71 71 ARG H H 71 7.541 7.541 7.446 0.095 25177 7321 1 18 . 1 1 72 72 HIS N N 72 120.119 120.119 116.273 3.846 25177 7322 1 18 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.323 0.341 25177 7323 1 18 . 1 1 72 72 HIS C C 72 173.738 173.738 174.715 -0.977 25177 7324 1 18 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.584 -1.191 25177 7325 1 18 . 1 1 72 72 HIS CB C 72 29.761 29.761 28.232 1.529 25177 7326 1 18 . 1 1 72 72 HIS H H 72 8.126 8.126 8.040 0.086 25177 7327 1 19 . 1 1 3 3 SER HA H 3 4.362 4.362 4.848 -0.486 25177 7328 1 19 . 1 1 3 3 SER C C 3 176.187 176.187 175.426 0.761 25177 7329 1 19 . 1 1 3 3 SER CA C 3 55.064 55.064 57.185 -2.121 25177 7330 1 19 . 1 1 3 3 SER CB C 3 61.154 61.154 62.955 -1.800 25177 7331 1 19 . 1 1 4 4 TRP N N 4 122.487 122.487 125.055 -2.568 25177 7332 1 19 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.533 -0.001 25177 7333 1 19 . 1 1 4 4 TRP C C 4 177.481 177.481 176.794 0.687 25177 7334 1 19 . 1 1 4 4 TRP CA C 4 59.541 59.541 59.611 -0.070 25177 7335 1 19 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.244 0.312 25177 7336 1 19 . 1 1 4 4 TRP H H 4 8.287 8.287 7.920 0.367 25177 7337 1 19 . 1 1 5 5 ALA N N 5 121.306 121.306 120.933 0.373 25177 7338 1 19 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.828 0.054 25177 7339 1 19 . 1 1 5 5 ALA C C 5 180.462 180.462 179.879 0.583 25177 7340 1 19 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.758 -0.360 25177 7341 1 19 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.863 0.165 25177 7342 1 19 . 1 1 5 5 ALA H H 5 8.287 8.287 8.585 -0.298 25177 7343 1 19 . 1 1 6 6 GLU N N 6 118.841 118.841 118.833 0.008 25177 7344 1 19 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.050 0.012 25177 7345 1 19 . 1 1 6 6 GLU C C 6 179.425 179.425 179.203 0.222 25177 7346 1 19 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.324 -0.082 25177 7347 1 19 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.653 -0.436 25177 7348 1 19 . 1 1 6 6 GLU H H 6 7.805 7.805 8.383 -0.578 25177 7349 1 19 . 1 1 7 7 PHE N N 7 120.314 120.314 119.171 1.143 25177 7350 1 19 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.227 0.138 25177 7351 1 19 . 1 1 7 7 PHE C C 7 178.168 178.168 178.045 0.123 25177 7352 1 19 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.721 -0.321 25177 7353 1 19 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.898 0.276 25177 7354 1 19 . 1 1 7 7 PHE H H 7 7.950 7.950 7.935 0.015 25177 7355 1 19 . 1 1 8 8 LYS N N 8 119.370 119.370 120.233 -0.863 25177 7356 1 19 . 1 1 8 8 LYS HA H 8 3.807 3.807 4.059 -0.252 25177 7357 1 19 . 1 1 8 8 LYS C C 8 179.501 179.501 179.199 0.302 25177 7358 1 19 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.810 0.292 25177 7359 1 19 . 1 1 8 8 LYS CB C 8 31.793 31.793 32.069 -0.276 25177 7360 1 19 . 1 1 8 8 LYS H H 8 8.214 8.214 8.600 -0.386 25177 7361 1 19 . 1 1 9 9 GLN N N 9 120.219 120.219 119.153 1.066 25177 7362 1 19 . 1 1 9 9 GLN HA H 9 4.075 4.075 4.037 0.038 25177 7363 1 19 . 1 1 9 9 GLN C C 9 178.818 178.818 178.487 0.331 25177 7364 1 19 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.245 -0.647 25177 7365 1 19 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.679 -0.579 25177 7366 1 19 . 1 1 9 9 GLN H H 9 7.859 7.859 8.146 -0.287 25177 7367 1 19 . 1 1 10 10 ARG N N 10 122.005 122.005 119.730 2.275 25177 7368 1 19 . 1 1 10 10 ARG HA H 10 4.053 4.053 4.036 0.017 25177 7369 1 19 . 1 1 10 10 ARG C C 10 179.057 179.057 179.034 0.023 25177 7370 1 19 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.550 -0.474 25177 7371 1 19 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.994 0.541 25177 7372 1 19 . 1 1 10 10 ARG H H 10 8.135 8.135 8.021 0.114 25177 7373 1 19 . 1 1 11 11 LEU N N 11 120.796 120.796 119.494 1.302 25177 7374 1 19 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.787 -0.146 25177 7375 1 19 . 1 1 11 11 LEU C C 11 177.921 177.921 178.658 -0.737 25177 7376 1 19 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.556 -0.330 25177 7377 1 19 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.468 -0.864 25177 7378 1 19 . 1 1 11 11 LEU H H 11 8.066 8.066 8.064 0.002 25177 7379 1 19 . 1 1 12 12 ALA N N 12 121.596 121.596 122.280 -0.684 25177 7380 1 19 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.955 0.058 25177 7381 1 19 . 1 1 12 12 ALA C C 12 180.299 180.299 179.409 0.890 25177 7382 1 19 . 1 1 12 12 ALA CA C 12 55.055 55.055 54.918 0.137 25177 7383 1 19 . 1 1 12 12 ALA CB C 12 17.431 17.431 18.131 -0.700 25177 7384 1 19 . 1 1 12 12 ALA H H 12 7.670 7.670 8.053 -0.383 25177 7385 1 19 . 1 1 13 13 ALA N N 13 121.486 121.486 121.518 -0.032 25177 7386 1 19 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.988 0.174 25177 7387 1 19 . 1 1 13 13 ALA C C 13 180.732 180.732 179.517 1.215 25177 7388 1 19 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.915 -0.034 25177 7389 1 19 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.480 -0.664 25177 7390 1 19 . 1 1 13 13 ALA H H 13 7.601 7.601 7.842 -0.241 25177 7391 1 19 . 1 1 14 14 ILE N N 14 121.912 121.912 118.208 3.704 25177 7392 1 19 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.462 0.212 25177 7393 1 19 . 1 1 14 14 ILE C C 14 177.883 177.883 178.125 -0.242 25177 7394 1 19 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.330 0.491 25177 7395 1 19 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.604 0.474 25177 7396 1 19 . 1 1 14 14 ILE H H 14 7.843 7.843 8.008 -0.165 25177 7397 1 19 . 1 1 15 15 LYS N N 15 121.705 121.705 120.518 1.187 25177 7398 1 19 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.795 0.042 25177 7399 1 19 . 1 1 15 15 LYS C C 15 178.896 178.896 178.846 0.050 25177 7400 1 19 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.275 0.163 25177 7401 1 19 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.346 -0.229 25177 7402 1 19 . 1 1 15 15 LYS H H 15 8.439 8.439 8.102 0.337 25177 7403 1 19 . 1 1 16 16 THR N N 16 115.218 115.218 116.152 -0.934 25177 7404 1 19 . 1 1 16 16 THR HA H 16 3.919 3.919 3.905 0.014 25177 7405 1 19 . 1 1 16 16 THR C C 16 176.872 176.872 176.840 0.032 25177 7406 1 19 . 1 1 16 16 THR CA C 16 66.297 66.297 67.040 -0.743 25177 7407 1 19 . 1 1 16 16 THR CB C 16 69.045 69.045 68.558 0.487 25177 7408 1 19 . 1 1 16 16 THR H H 16 7.936 7.936 8.017 -0.081 25177 7409 1 19 . 1 1 17 17 ARG N N 17 122.508 122.508 121.024 1.484 25177 7410 1 19 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.030 -0.011 25177 7411 1 19 . 1 1 17 17 ARG C C 17 178.281 178.281 178.580 -0.299 25177 7412 1 19 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.000 -0.030 25177 7413 1 19 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.932 0.206 25177 7414 1 19 . 1 1 17 17 ARG H H 17 7.781 7.781 8.058 -0.277 25177 7415 1 19 . 1 1 18 18 CYS N N 18 119.296 119.296 117.139 2.157 25177 7416 1 19 . 1 1 18 18 CYS HA H 18 3.474 3.474 3.766 -0.292 25177 7417 1 19 . 1 1 18 18 CYS C C 18 176.151 176.151 176.375 -0.224 25177 7418 1 19 . 1 1 18 18 CYS CA C 18 61.355 61.355 60.929 0.426 25177 7419 1 19 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.450 -0.878 25177 7420 1 19 . 1 1 18 18 CYS H H 18 8.158 8.158 7.546 0.612 25177 7421 1 19 . 1 1 19 19 GLN N N 19 116.825 116.825 118.179 -1.354 25177 7422 1 19 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.094 -0.054 25177 7423 1 19 . 1 1 19 19 GLN C C 19 176.178 176.178 177.739 -1.561 25177 7424 1 19 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.748 -1.369 25177 7425 1 19 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.044 -0.760 25177 7426 1 19 . 1 1 19 19 GLN H H 19 7.523 7.523 7.950 -0.427 25177 7427 1 19 . 1 1 20 20 ALA N N 20 121.265 121.265 118.268 2.997 25177 7428 1 19 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.337 0.024 25177 7429 1 19 . 1 1 20 20 ALA C C 20 177.491 177.491 177.225 0.266 25177 7430 1 19 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.389 -0.519 25177 7431 1 19 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.672 -0.482 25177 7432 1 19 . 1 1 20 20 ALA H H 20 7.322 7.322 7.734 -0.412 25177 7433 1 19 . 1 1 21 21 LEU N N 21 120.570 120.570 114.500 6.070 25177 7434 1 19 . 1 1 21 21 LEU HA H 21 4.030 4.030 4.134 -0.104 25177 7435 1 19 . 1 1 21 21 LEU C C 21 177.889 177.889 177.375 0.514 25177 7436 1 19 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.407 0.553 25177 7437 1 19 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.386 3.102 25177 7438 1 19 . 1 1 21 21 LEU H H 21 7.200 7.200 7.948 -0.748 25177 7439 1 19 . 1 1 22 22 GLY N N 22 109.881 109.881 105.553 4.328 25177 7440 1 19 . 1 1 22 22 GLY C C 22 174.896 174.896 175.583 -0.687 25177 7441 1 19 . 1 1 22 22 GLY CA C 22 45.562 45.562 45.592 -0.030 25177 7442 1 19 . 1 1 22 22 GLY H H 22 8.454 8.454 8.162 0.292 25177 7443 1 19 . 1 1 23 23 GLY N N 23 107.014 107.014 106.890 0.124 25177 7444 1 19 . 1 1 23 23 GLY C C 23 174.347 174.347 174.047 0.300 25177 7445 1 19 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.914 -0.400 25177 7446 1 19 . 1 1 23 23 GLY H H 23 7.759 7.759 7.941 -0.182 25177 7447 1 19 . 1 1 24 24 SER N N 24 116.572 116.572 115.910 0.662 25177 7448 1 19 . 1 1 24 24 SER HA H 24 4.519 4.519 4.745 -0.226 25177 7449 1 19 . 1 1 24 24 SER C C 24 175.184 175.184 174.044 1.140 25177 7450 1 19 . 1 1 24 24 SER CA C 24 57.853 57.853 57.286 0.567 25177 7451 1 19 . 1 1 24 24 SER CB C 24 64.487 64.487 66.023 -1.536 25177 7452 1 19 . 1 1 24 24 SER H H 24 8.096 8.096 7.931 0.165 25177 7453 1 19 . 1 1 25 25 GLU N N 25 126.083 126.083 126.602 -0.519 25177 7454 1 19 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.064 -0.211 25177 7455 1 19 . 1 1 25 25 GLU C C 25 178.773 178.773 177.437 1.336 25177 7456 1 19 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.787 1.187 25177 7457 1 19 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.236 -0.054 25177 7458 1 19 . 1 1 25 25 GLU H H 25 9.042 9.042 9.047 -0.005 25177 7459 1 19 . 1 1 26 26 ALA N N 26 121.614 121.614 122.168 -0.554 25177 7460 1 19 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.192 -0.045 25177 7461 1 19 . 1 1 26 26 ALA C C 26 180.987 180.987 179.784 1.203 25177 7462 1 19 . 1 1 26 26 ALA CA C 26 54.991 54.991 54.240 0.750 25177 7463 1 19 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.070 0.029 25177 7464 1 19 . 1 1 26 26 ALA H H 26 8.514 8.514 7.893 0.621 25177 7465 1 19 . 1 1 27 27 GLU N N 27 119.564 119.564 119.693 -0.129 25177 7466 1 19 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.674 0.437 25177 7467 1 19 . 1 1 27 27 GLU C C 27 179.198 179.198 178.122 1.076 25177 7468 1 19 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.030 -0.204 25177 7469 1 19 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.641 1.317 25177 7470 1 19 . 1 1 27 27 GLU H H 27 7.757 7.757 8.345 -0.588 25177 7471 1 19 . 1 1 28 28 CYS N N 28 120.060 120.060 117.348 2.712 25177 7472 1 19 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.224 -0.093 25177 7473 1 19 . 1 1 28 28 CYS C C 28 176.521 176.521 176.833 -0.312 25177 7474 1 19 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.426 0.285 25177 7475 1 19 . 1 1 28 28 CYS CB C 28 26.601 26.601 27.220 -0.619 25177 7476 1 19 . 1 1 28 28 CYS H H 28 8.145 8.145 7.553 0.592 25177 7477 1 19 . 1 1 29 29 ALA N N 29 122.930 122.930 121.976 0.954 25177 7478 1 19 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.944 0.266 25177 7479 1 19 . 1 1 29 29 ALA C C 29 179.659 179.659 178.976 0.683 25177 7480 1 19 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.089 -0.195 25177 7481 1 19 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.914 -0.213 25177 7482 1 19 . 1 1 29 29 ALA H H 29 8.342 8.342 7.729 0.613 25177 7483 1 19 . 1 1 30 30 ALA N N 30 121.235 121.235 121.230 0.005 25177 7484 1 19 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.951 0.274 25177 7485 1 19 . 1 1 30 30 ALA C C 30 180.452 180.452 179.604 0.848 25177 7486 1 19 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.887 0.073 25177 7487 1 19 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.055 -0.306 25177 7488 1 19 . 1 1 30 30 ALA H H 30 7.676 7.676 7.394 0.282 25177 7489 1 19 . 1 1 31 31 PHE N N 31 121.297 121.297 118.006 3.291 25177 7490 1 19 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.258 0.083 25177 7491 1 19 . 1 1 31 31 PHE C C 31 177.355 177.355 178.441 -1.086 25177 7492 1 19 . 1 1 31 31 PHE CA C 31 61.019 61.019 59.497 1.522 25177 7493 1 19 . 1 1 31 31 PHE CB C 31 39.314 39.314 37.775 1.539 25177 7494 1 19 . 1 1 31 31 PHE H H 31 8.086 8.086 7.560 0.526 25177 7495 1 19 . 1 1 32 32 GLU N N 32 119.861 119.861 120.354 -0.493 25177 7496 1 19 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.889 -0.105 25177 7497 1 19 . 1 1 32 32 GLU C C 32 178.906 178.906 179.059 -0.153 25177 7498 1 19 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.283 -0.339 25177 7499 1 19 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.556 -0.613 25177 7500 1 19 . 1 1 32 32 GLU H H 32 8.417 8.417 8.334 0.083 25177 7501 1 19 . 1 1 33 33 LYS N N 33 118.133 118.133 119.345 -1.212 25177 7502 1 19 . 1 1 33 33 LYS HA H 33 4.044 4.044 4.040 0.004 25177 7503 1 19 . 1 1 33 33 LYS C C 33 179.471 179.471 178.888 0.583 25177 7504 1 19 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.631 -0.234 25177 7505 1 19 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.271 -0.040 25177 7506 1 19 . 1 1 33 33 LYS H H 33 7.491 7.491 7.962 -0.471 25177 7507 1 19 . 1 1 34 34 GLU N N 34 121.763 121.763 120.104 1.659 25177 7508 1 19 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.996 0.121 25177 7509 1 19 . 1 1 34 34 GLU C C 34 179.955 179.955 179.338 0.617 25177 7510 1 19 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.646 -0.130 25177 7511 1 19 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.845 -0.382 25177 7512 1 19 . 1 1 34 34 GLU H H 34 7.699 7.699 8.195 -0.496 25177 7513 1 19 . 1 1 35 35 ILE N N 35 121.167 121.167 119.347 1.820 25177 7514 1 19 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.983 -0.200 25177 7515 1 19 . 1 1 35 35 ILE C C 35 177.219 177.219 178.109 -0.890 25177 7516 1 19 . 1 1 35 35 ILE CA C 35 63.961 63.961 64.166 -0.205 25177 7517 1 19 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.898 0.758 25177 7518 1 19 . 1 1 35 35 ILE H H 35 8.120 8.120 8.605 -0.485 25177 7519 1 19 . 1 1 36 36 ALA N N 36 124.132 124.132 122.514 1.618 25177 7520 1 19 . 1 1 36 36 ALA HA H 36 4.346 4.346 3.974 0.372 25177 7521 1 19 . 1 1 36 36 ALA C C 36 180.915 180.915 179.625 1.290 25177 7522 1 19 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.474 -0.470 25177 7523 1 19 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.011 -0.251 25177 7524 1 19 . 1 1 36 36 ALA H H 36 8.161 8.161 8.105 0.056 25177 7525 1 19 . 1 1 37 37 ALA N N 37 121.980 121.980 121.144 0.836 25177 7526 1 19 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.105 0.085 25177 7527 1 19 . 1 1 37 37 ALA C C 37 180.126 180.126 179.584 0.542 25177 7528 1 19 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.821 0.219 25177 7529 1 19 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.270 -0.670 25177 7530 1 19 . 1 1 37 37 ALA H H 37 7.887 7.887 7.991 -0.104 25177 7531 1 19 . 1 1 38 38 PHE N N 38 121.517 121.517 119.123 2.394 25177 7532 1 19 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.097 0.096 25177 7533 1 19 . 1 1 38 38 PHE C C 38 177.044 177.044 177.728 -0.684 25177 7534 1 19 . 1 1 38 38 PHE CA C 38 61.485 61.485 61.110 0.375 25177 7535 1 19 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.999 0.078 25177 7536 1 19 . 1 1 38 38 PHE H H 38 7.751 7.751 8.145 -0.394 25177 7537 1 19 . 1 1 39 39 GLU N N 39 118.815 118.815 118.267 0.548 25177 7538 1 19 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.946 -0.308 25177 7539 1 19 . 1 1 39 39 GLU C C 39 179.591 179.591 179.231 0.360 25177 7540 1 19 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.573 0.848 25177 7541 1 19 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.151 0.711 25177 7542 1 19 . 1 1 39 39 GLU H H 39 8.746 8.746 8.565 0.181 25177 7543 1 19 . 1 1 40 40 SER N N 40 115.384 115.384 116.160 -0.776 25177 7544 1 19 . 1 1 40 40 SER HA H 40 4.176 4.176 4.252 -0.076 25177 7545 1 19 . 1 1 40 40 SER C C 40 177.354 177.354 176.706 0.648 25177 7546 1 19 . 1 1 40 40 SER CA C 40 61.771 61.771 61.694 0.077 25177 7547 1 19 . 1 1 40 40 SER CB C 40 62.786 62.786 63.023 -0.237 25177 7548 1 19 . 1 1 40 40 SER H H 40 8.171 8.171 8.125 0.046 25177 7549 1 19 . 1 1 41 41 GLU N N 41 123.650 123.650 120.720 2.930 25177 7550 1 19 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.352 -0.279 25177 7551 1 19 . 1 1 41 41 GLU C C 41 179.360 179.360 179.030 0.330 25177 7552 1 19 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.031 1.479 25177 7553 1 19 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.037 -0.516 25177 7554 1 19 . 1 1 41 41 GLU H H 41 7.819 7.819 7.992 -0.173 25177 7555 1 19 . 1 1 42 42 LEU N N 42 119.352 119.352 119.273 0.079 25177 7556 1 19 . 1 1 42 42 LEU HA H 42 3.767 3.767 3.820 -0.053 25177 7557 1 19 . 1 1 42 42 LEU C C 42 179.152 179.152 178.731 0.421 25177 7558 1 19 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.658 -0.694 25177 7559 1 19 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.150 -0.658 25177 7560 1 19 . 1 1 42 42 LEU H H 42 7.816 7.816 8.056 -0.240 25177 7561 1 19 . 1 1 43 43 GLN N N 43 118.423 118.423 118.466 -0.043 25177 7562 1 19 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.105 -0.147 25177 7563 1 19 . 1 1 43 43 GLN C C 43 177.081 177.081 177.352 -0.271 25177 7564 1 19 . 1 1 43 43 GLN CA C 43 58.165 58.165 58.179 -0.014 25177 7565 1 19 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.216 -0.009 25177 7566 1 19 . 1 1 43 43 GLN H H 43 7.785 7.785 8.107 -0.322 25177 7567 1 19 . 1 1 44 44 ALA N N 44 120.300 120.300 120.793 -0.493 25177 7568 1 19 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.267 -0.106 25177 7569 1 19 . 1 1 44 44 ALA C C 44 177.823 177.823 178.252 -0.429 25177 7570 1 19 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.578 -0.422 25177 7571 1 19 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.288 0.137 25177 7572 1 19 . 1 1 44 44 ALA H H 44 7.380 7.380 7.423 -0.043 25177 7573 1 19 . 1 1 45 45 TYR N N 45 118.887 118.887 118.934 -0.047 25177 7574 1 19 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.319 0.054 25177 7575 1 19 . 1 1 45 45 TYR C C 45 176.018 176.018 176.704 -0.686 25177 7576 1 19 . 1 1 45 45 TYR CA C 45 58.749 58.749 59.215 -0.466 25177 7577 1 19 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.804 -0.007 25177 7578 1 19 . 1 1 45 45 TYR H H 45 7.438 7.438 7.583 -0.145 25177 7579 1 19 . 1 1 46 46 LYS N N 46 124.177 124.177 118.639 5.538 25177 7580 1 19 . 1 1 46 46 LYS HA H 46 4.186 4.186 3.939 0.247 25177 7581 1 19 . 1 1 46 46 LYS C C 46 176.900 176.900 175.498 1.402 25177 7582 1 19 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.702 0.016 25177 7583 1 19 . 1 1 46 46 LYS CB C 46 32.774 32.774 31.584 1.190 25177 7584 1 19 . 1 1 46 46 LYS H H 46 7.884 7.884 7.938 -0.054 25177 7585 1 19 . 1 1 47 47 GLY N N 47 109.590 109.590 106.632 2.958 25177 7586 1 19 . 1 1 47 47 GLY C C 47 174.029 174.029 175.295 -1.266 25177 7587 1 19 . 1 1 47 47 GLY CA C 47 45.597 45.597 44.239 1.359 25177 7588 1 19 . 1 1 47 47 GLY H H 47 7.662 7.662 8.304 -0.642 25177 7589 1 19 . 1 1 48 48 LYS N N 48 120.521 120.521 126.868 -6.347 25177 7590 1 19 . 1 1 48 48 LYS HA H 48 3.921 3.921 3.949 -0.028 25177 7591 1 19 . 1 1 48 48 LYS C C 48 177.262 177.262 177.708 -0.446 25177 7592 1 19 . 1 1 48 48 LYS CA C 48 56.345 56.345 58.367 -2.022 25177 7593 1 19 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.460 0.418 25177 7594 1 19 . 1 1 48 48 LYS H H 48 8.049 8.049 8.678 -0.629 25177 7595 1 19 . 1 1 49 49 GLY N N 49 110.678 110.678 104.436 6.242 25177 7596 1 19 . 1 1 49 49 GLY C C 49 173.842 173.842 174.180 -0.338 25177 7597 1 19 . 1 1 49 49 GLY CA C 49 45.585 45.585 44.403 1.182 25177 7598 1 19 . 1 1 49 49 GLY H H 49 8.604 8.604 8.092 0.512 25177 7599 1 19 . 1 1 50 50 ASN N N 50 120.298 120.298 119.596 0.702 25177 7600 1 19 . 1 1 50 50 ASN HA H 50 4.956 4.956 5.091 -0.135 25177 7601 1 19 . 1 1 50 50 ASN C C 50 177.904 177.904 174.390 3.514 25177 7602 1 19 . 1 1 50 50 ASN CA C 50 51.649 51.649 50.336 1.313 25177 7603 1 19 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.626 0.317 25177 7604 1 19 . 1 1 50 50 ASN H H 50 8.045 8.045 7.541 0.504 25177 7605 1 19 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.279 -0.007 25177 7606 1 19 . 1 1 51 51 PRO C C 51 178.931 178.931 177.712 1.219 25177 7607 1 19 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.329 0.780 25177 7608 1 19 . 1 1 51 51 PRO CB C 51 31.834 31.834 31.875 -0.041 25177 7609 1 19 . 1 1 52 52 GLU N N 52 119.291 119.291 118.539 0.752 25177 7610 1 19 . 1 1 52 52 GLU HA H 52 4.059 4.059 1.394 2.665 25177 7611 1 19 . 1 1 52 52 GLU C C 52 178.805 178.805 176.872 1.933 25177 7612 1 19 . 1 1 52 52 GLU CA C 52 59.173 59.173 57.777 1.396 25177 7613 1 19 . 1 1 52 52 GLU CB C 52 28.685 28.685 27.150 1.535 25177 7614 1 19 . 1 1 52 52 GLU H H 52 8.344 8.344 8.315 0.029 25177 7615 1 19 . 1 1 53 53 VAL N N 53 120.013 120.013 118.804 1.209 25177 7616 1 19 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.370 0.132 25177 7617 1 19 . 1 1 53 53 VAL C C 53 177.587 177.587 177.563 0.024 25177 7618 1 19 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.427 0.519 25177 7619 1 19 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.312 0.163 25177 7620 1 19 . 1 1 53 53 VAL H H 53 7.304 7.304 7.104 0.200 25177 7621 1 19 . 1 1 54 54 GLU N N 54 119.848 119.848 121.002 -1.154 25177 7622 1 19 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.822 0.226 25177 7623 1 19 . 1 1 54 54 GLU C C 54 178.910 178.910 178.572 0.338 25177 7624 1 19 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.840 -0.983 25177 7625 1 19 . 1 1 54 54 GLU CB C 54 28.699 28.699 29.001 -0.302 25177 7626 1 19 . 1 1 54 54 GLU H H 54 7.820 7.820 7.925 -0.105 25177 7627 1 19 . 1 1 55 55 ALA N N 55 121.463 121.463 121.712 -0.249 25177 7628 1 19 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.187 -0.042 25177 7629 1 19 . 1 1 55 55 ALA C C 55 180.920 180.920 179.789 1.131 25177 7630 1 19 . 1 1 55 55 ALA CA C 55 55.259 55.259 54.993 0.266 25177 7631 1 19 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.600 -0.800 25177 7632 1 19 . 1 1 55 55 ALA H H 55 7.701 7.701 7.558 0.143 25177 7633 1 19 . 1 1 56 56 LEU N N 56 120.343 120.343 120.231 0.112 25177 7634 1 19 . 1 1 56 56 LEU HA H 56 4.145 4.145 4.055 0.090 25177 7635 1 19 . 1 1 56 56 LEU C C 56 178.721 178.721 179.180 -0.459 25177 7636 1 19 . 1 1 56 56 LEU CA C 56 57.899 57.899 57.803 0.096 25177 7637 1 19 . 1 1 56 56 LEU CB C 56 42.198 42.198 40.952 1.246 25177 7638 1 19 . 1 1 56 56 LEU H H 56 7.656 7.656 7.561 0.095 25177 7639 1 19 . 1 1 57 57 ARG N N 57 119.950 119.950 118.885 1.065 25177 7640 1 19 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.823 -0.002 25177 7641 1 19 . 1 1 57 57 ARG C C 57 179.667 179.667 178.540 1.127 25177 7642 1 19 . 1 1 57 57 ARG CA C 57 60.187 60.187 60.069 0.118 25177 7643 1 19 . 1 1 57 57 ARG CB C 57 29.185 29.185 30.104 -0.919 25177 7644 1 19 . 1 1 57 57 ARG H H 57 8.350 8.350 8.569 -0.219 25177 7645 1 19 . 1 1 58 58 LYS N N 58 120.501 120.501 119.678 0.823 25177 7646 1 19 . 1 1 58 58 LYS HA H 58 4.030 4.030 3.947 0.083 25177 7647 1 19 . 1 1 58 58 LYS C C 58 179.448 179.448 178.507 0.941 25177 7648 1 19 . 1 1 58 58 LYS CA C 58 59.578 59.578 60.144 -0.566 25177 7649 1 19 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.314 0.055 25177 7650 1 19 . 1 1 58 58 LYS H H 58 7.989 7.989 7.929 0.060 25177 7651 1 19 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.956 0.188 25177 7652 1 19 . 1 1 59 59 GLU C C 59 178.877 178.877 178.626 0.251 25177 7653 1 19 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.637 -0.218 25177 7654 1 19 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.599 -0.366 25177 7655 1 19 . 1 1 59 59 GLU H H 59 7.891 7.891 8.326 -0.435 25177 7656 1 19 . 1 1 60 60 ALA N N 60 122.069 122.069 121.928 0.141 25177 7657 1 19 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.927 0.009 25177 7658 1 19 . 1 1 60 60 ALA C C 60 178.379 178.379 179.560 -1.181 25177 7659 1 19 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.083 -0.189 25177 7660 1 19 . 1 1 60 60 ALA CB C 60 17.528 17.528 17.958 -0.430 25177 7661 1 19 . 1 1 60 60 ALA H H 60 8.480 8.480 8.107 0.373 25177 7662 1 19 . 1 1 61 61 ALA N N 61 121.446 121.446 121.348 0.098 25177 7663 1 19 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.959 0.186 25177 7664 1 19 . 1 1 61 61 ALA C C 61 178.579 178.579 179.321 -0.742 25177 7665 1 19 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.903 0.537 25177 7666 1 19 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.452 -0.286 25177 7667 1 19 . 1 1 61 61 ALA H H 61 7.702 7.702 7.936 -0.234 25177 7668 1 19 . 1 1 62 62 ALA N N 62 119.705 119.705 121.765 -2.060 25177 7669 1 19 . 1 1 62 62 ALA HA H 62 4.032 4.032 3.995 0.037 25177 7670 1 19 . 1 1 62 62 ALA C C 62 180.829 180.829 179.656 1.173 25177 7671 1 19 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.818 -0.023 25177 7672 1 19 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.425 -0.753 25177 7673 1 19 . 1 1 62 62 ALA H H 62 7.818 7.818 7.703 0.115 25177 7674 1 19 . 1 1 63 63 ILE N N 63 121.021 121.021 119.429 1.592 25177 7675 1 19 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.620 0.231 25177 7676 1 19 . 1 1 63 63 ILE C C 63 178.076 178.076 177.971 0.105 25177 7677 1 19 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.522 -0.834 25177 7678 1 19 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.523 0.432 25177 7679 1 19 . 1 1 63 63 ILE H H 63 7.876 7.876 8.210 -0.335 25177 7680 1 19 . 1 1 64 64 ARG N N 64 121.460 121.460 120.420 1.040 25177 7681 1 19 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.875 0.016 25177 7682 1 19 . 1 1 64 64 ARG C C 64 178.617 178.617 178.204 0.413 25177 7683 1 19 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.737 0.590 25177 7684 1 19 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.807 -0.485 25177 7685 1 19 . 1 1 64 64 ARG H H 64 8.023 8.023 8.141 -0.118 25177 7686 1 19 . 1 1 65 65 ASP N N 65 119.343 119.343 119.147 0.196 25177 7687 1 19 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.309 0.076 25177 7688 1 19 . 1 1 65 65 ASP C C 65 178.827 178.827 178.804 0.023 25177 7689 1 19 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.181 0.132 25177 7690 1 19 . 1 1 65 65 ASP CB C 65 40.363 40.363 39.931 0.432 25177 7691 1 19 . 1 1 65 65 ASP H H 65 8.046 8.046 8.124 -0.078 25177 7692 1 19 . 1 1 66 66 GLU N N 66 121.291 121.291 119.699 1.592 25177 7693 1 19 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.604 0.434 25177 7694 1 19 . 1 1 66 66 GLU C C 66 178.410 178.410 178.458 -0.048 25177 7695 1 19 . 1 1 66 66 GLU CA C 66 58.893 58.893 58.943 -0.050 25177 7696 1 19 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.352 0.124 25177 7697 1 19 . 1 1 66 66 GLU H H 66 7.931 7.931 7.968 -0.037 25177 7698 1 19 . 1 1 67 67 CYS N N 67 117.825 117.825 117.383 0.442 25177 7699 1 19 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.179 0.020 25177 7700 1 19 . 1 1 67 67 CYS C C 67 176.095 176.095 177.130 -1.035 25177 7701 1 19 . 1 1 67 67 CYS CA C 67 61.485 61.485 63.705 -2.220 25177 7702 1 19 . 1 1 67 67 CYS CB C 67 27.011 27.011 26.639 0.372 25177 7703 1 19 . 1 1 67 67 CYS H H 67 8.009 8.009 8.139 -0.130 25177 7704 1 19 . 1 1 68 68 GLN N N 68 118.847 118.847 117.943 0.904 25177 7705 1 19 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.278 -0.161 25177 7706 1 19 . 1 1 68 68 GLN C C 68 177.110 177.110 177.494 -0.384 25177 7707 1 19 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.501 -1.047 25177 7708 1 19 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.369 -0.021 25177 7709 1 19 . 1 1 68 68 GLN H H 68 7.906 7.906 7.889 0.017 25177 7710 1 19 . 1 1 69 69 ALA N N 69 122.260 122.260 119.128 3.132 25177 7711 1 19 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.202 -0.099 25177 7712 1 19 . 1 1 69 69 ALA C C 69 178.367 178.367 178.046 0.321 25177 7713 1 19 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.346 0.335 25177 7714 1 19 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.448 -0.252 25177 7715 1 19 . 1 1 69 69 ALA H H 69 7.648 7.648 7.476 0.172 25177 7716 1 19 . 1 1 70 70 TYR N N 70 117.039 117.039 117.680 -0.641 25177 7717 1 19 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.551 -0.141 25177 7718 1 19 . 1 1 70 70 TYR C C 70 176.061 176.061 177.227 -1.166 25177 7719 1 19 . 1 1 70 70 TYR CA C 70 58.456 58.456 59.014 -0.557 25177 7720 1 19 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.757 -1.546 25177 7721 1 19 . 1 1 70 70 TYR H H 70 7.541 7.541 7.311 0.230 25177 7722 1 19 . 1 1 71 71 ARG N N 71 120.503 120.503 118.403 2.100 25177 7723 1 19 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.566 -0.322 25177 7724 1 19 . 1 1 71 71 ARG C C 71 175.759 175.759 175.330 0.429 25177 7725 1 19 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.236 -0.215 25177 7726 1 19 . 1 1 71 71 ARG CB C 71 30.629 30.629 31.404 -0.775 25177 7727 1 19 . 1 1 71 71 ARG H H 71 7.541 7.541 7.974 -0.433 25177 7728 1 19 . 1 1 72 72 HIS N N 72 120.119 120.119 116.097 4.022 25177 7729 1 19 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.621 0.043 25177 7730 1 19 . 1 1 72 72 HIS C C 72 173.738 173.738 172.986 0.752 25177 7731 1 19 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.349 -0.955 25177 7732 1 19 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.808 -0.047 25177 7733 1 19 . 1 1 72 72 HIS H H 72 8.126 8.126 8.236 -0.110 25177 7734 1 20 . 1 1 3 3 SER HA H 3 4.362 4.362 4.335 0.027 25177 7735 1 20 . 1 1 3 3 SER C C 3 176.187 176.187 176.060 0.127 25177 7736 1 20 . 1 1 3 3 SER CA C 3 55.064 55.064 61.109 -6.045 25177 7737 1 20 . 1 1 3 3 SER CB C 3 61.154 61.154 63.407 -2.253 25177 7738 1 20 . 1 1 4 4 TRP N N 4 122.487 122.487 122.400 0.087 25177 7739 1 20 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.202 0.330 25177 7740 1 20 . 1 1 4 4 TRP C C 4 177.481 177.481 177.172 0.309 25177 7741 1 20 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.631 -1.090 25177 7742 1 20 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.416 0.141 25177 7743 1 20 . 1 1 4 4 TRP H H 4 8.287 8.287 7.949 0.338 25177 7744 1 20 . 1 1 5 5 ALA N N 5 121.306 121.306 120.357 0.949 25177 7745 1 20 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.994 -0.112 25177 7746 1 20 . 1 1 5 5 ALA C C 5 180.462 180.462 179.441 1.021 25177 7747 1 20 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.775 -0.377 25177 7748 1 20 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.961 0.068 25177 7749 1 20 . 1 1 5 5 ALA H H 5 8.287 8.287 7.813 0.474 25177 7750 1 20 . 1 1 6 6 GLU N N 6 118.841 118.841 119.938 -1.097 25177 7751 1 20 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.068 -0.006 25177 7752 1 20 . 1 1 6 6 GLU C C 6 179.425 179.425 179.116 0.309 25177 7753 1 20 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.409 -0.167 25177 7754 1 20 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.688 -0.471 25177 7755 1 20 . 1 1 6 6 GLU H H 6 7.805 7.805 7.881 -0.076 25177 7756 1 20 . 1 1 7 7 PHE N N 7 120.314 120.314 119.224 1.090 25177 7757 1 20 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.237 0.128 25177 7758 1 20 . 1 1 7 7 PHE C C 7 178.168 178.168 178.118 0.050 25177 7759 1 20 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.757 -0.357 25177 7760 1 20 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.632 0.542 25177 7761 1 20 . 1 1 7 7 PHE H H 7 7.950 7.950 8.118 -0.168 25177 7762 1 20 . 1 1 8 8 LYS N N 8 119.370 119.370 119.283 0.087 25177 7763 1 20 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.826 -0.019 25177 7764 1 20 . 1 1 8 8 LYS C C 8 179.501 179.501 179.257 0.244 25177 7765 1 20 . 1 1 8 8 LYS CA C 8 60.102 60.102 58.827 1.275 25177 7766 1 20 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.657 0.136 25177 7767 1 20 . 1 1 8 8 LYS H H 8 8.214 8.214 8.240 -0.026 25177 7768 1 20 . 1 1 9 9 GLN N N 9 120.219 120.219 119.242 0.977 25177 7769 1 20 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.979 0.096 25177 7770 1 20 . 1 1 9 9 GLN C C 9 178.818 178.818 178.293 0.525 25177 7771 1 20 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.425 -0.827 25177 7772 1 20 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.745 -0.645 25177 7773 1 20 . 1 1 9 9 GLN H H 9 7.859 7.859 8.235 -0.376 25177 7774 1 20 . 1 1 10 10 ARG N N 10 122.005 122.005 119.614 2.391 25177 7775 1 20 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.919 0.134 25177 7776 1 20 . 1 1 10 10 ARG C C 10 179.057 179.057 178.543 0.514 25177 7777 1 20 . 1 1 10 10 ARG CA C 10 59.075 59.075 58.842 0.233 25177 7778 1 20 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.802 0.734 25177 7779 1 20 . 1 1 10 10 ARG H H 10 8.135 8.135 7.902 0.233 25177 7780 1 20 . 1 1 11 11 LEU N N 11 120.796 120.796 119.157 1.639 25177 7781 1 20 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.746 -0.105 25177 7782 1 20 . 1 1 11 11 LEU C C 11 177.921 177.921 178.558 -0.637 25177 7783 1 20 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.770 -0.544 25177 7784 1 20 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.612 -1.008 25177 7785 1 20 . 1 1 11 11 LEU H H 11 8.066 8.066 7.972 0.094 25177 7786 1 20 . 1 1 12 12 ALA N N 12 121.596 121.596 121.334 0.262 25177 7787 1 20 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.839 0.174 25177 7788 1 20 . 1 1 12 12 ALA C C 12 180.299 180.299 179.137 1.162 25177 7789 1 20 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.087 -0.032 25177 7790 1 20 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.918 -0.487 25177 7791 1 20 . 1 1 12 12 ALA H H 12 7.670 7.670 7.932 -0.262 25177 7792 1 20 . 1 1 13 13 ALA N N 13 121.486 121.486 121.494 -0.008 25177 7793 1 20 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.994 0.168 25177 7794 1 20 . 1 1 13 13 ALA C C 13 180.732 180.732 179.395 1.337 25177 7795 1 20 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.845 0.036 25177 7796 1 20 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.381 -0.566 25177 7797 1 20 . 1 1 13 13 ALA H H 13 7.601 7.601 7.743 -0.142 25177 7798 1 20 . 1 1 14 14 ILE N N 14 121.912 121.912 118.158 3.754 25177 7799 1 20 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.167 0.507 25177 7800 1 20 . 1 1 14 14 ILE C C 14 177.883 177.883 178.201 -0.318 25177 7801 1 20 . 1 1 14 14 ILE CA C 14 65.821 65.821 63.895 1.926 25177 7802 1 20 . 1 1 14 14 ILE CB C 14 38.078 38.078 36.046 2.032 25177 7803 1 20 . 1 1 14 14 ILE H H 14 7.843 7.843 7.925 -0.082 25177 7804 1 20 . 1 1 15 15 LYS N N 15 121.705 121.705 120.715 0.990 25177 7805 1 20 . 1 1 15 15 LYS HA H 15 3.837 3.837 4.047 -0.210 25177 7806 1 20 . 1 1 15 15 LYS C C 15 178.896 178.896 179.374 -0.478 25177 7807 1 20 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.288 0.150 25177 7808 1 20 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.487 -0.370 25177 7809 1 20 . 1 1 15 15 LYS H H 15 8.439 8.439 8.087 0.352 25177 7810 1 20 . 1 1 16 16 THR N N 16 115.218 115.218 116.928 -1.710 25177 7811 1 20 . 1 1 16 16 THR HA H 16 3.919 3.919 3.960 -0.041 25177 7812 1 20 . 1 1 16 16 THR C C 16 176.872 176.872 177.004 -0.132 25177 7813 1 20 . 1 1 16 16 THR CA C 16 66.297 66.297 66.982 -0.685 25177 7814 1 20 . 1 1 16 16 THR CB C 16 69.045 69.045 68.684 0.361 25177 7815 1 20 . 1 1 16 16 THR H H 16 7.936 7.936 8.189 -0.253 25177 7816 1 20 . 1 1 17 17 ARG N N 17 122.508 122.508 121.238 1.270 25177 7817 1 20 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.120 -0.101 25177 7818 1 20 . 1 1 17 17 ARG C C 17 178.281 178.281 178.756 -0.475 25177 7819 1 20 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.435 -0.465 25177 7820 1 20 . 1 1 17 17 ARG CB C 17 30.138 30.138 30.025 0.113 25177 7821 1 20 . 1 1 17 17 ARG H H 17 7.781 7.781 8.340 -0.559 25177 7822 1 20 . 1 1 18 18 CYS N N 18 119.296 119.296 117.828 1.468 25177 7823 1 20 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.306 -0.832 25177 7824 1 20 . 1 1 18 18 CYS C C 18 176.151 176.151 176.303 -0.152 25177 7825 1 20 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.820 -0.465 25177 7826 1 20 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.603 -1.031 25177 7827 1 20 . 1 1 18 18 CYS H H 18 8.158 8.158 8.216 -0.058 25177 7828 1 20 . 1 1 19 19 GLN N N 19 116.825 116.825 118.136 -1.311 25177 7829 1 20 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.278 -0.238 25177 7830 1 20 . 1 1 19 19 GLN C C 19 176.178 176.178 178.106 -1.928 25177 7831 1 20 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.599 -1.220 25177 7832 1 20 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.136 -0.852 25177 7833 1 20 . 1 1 19 19 GLN H H 19 7.523 7.523 7.885 -0.362 25177 7834 1 20 . 1 1 20 20 ALA N N 20 121.265 121.265 120.052 1.213 25177 7835 1 20 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.199 0.162 25177 7836 1 20 . 1 1 20 20 ALA C C 20 177.491 177.491 177.723 -0.232 25177 7837 1 20 . 1 1 20 20 ALA CA C 20 51.870 51.870 53.305 -1.435 25177 7838 1 20 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.499 -0.308 25177 7839 1 20 . 1 1 20 20 ALA H H 20 7.322 7.322 7.939 -0.617 25177 7840 1 20 . 1 1 21 21 LEU N N 21 120.570 120.570 115.025 5.545 25177 7841 1 20 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.842 0.188 25177 7842 1 20 . 1 1 21 21 LEU C C 21 177.889 177.889 177.297 0.592 25177 7843 1 20 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.316 0.643 25177 7844 1 20 . 1 1 21 21 LEU CB C 21 42.488 42.488 38.755 3.733 25177 7845 1 20 . 1 1 21 21 LEU H H 21 7.200 7.200 7.900 -0.700 25177 7846 1 20 . 1 1 22 22 GLY N N 22 109.881 109.881 104.532 5.349 25177 7847 1 20 . 1 1 22 22 GLY C C 22 174.896 174.896 175.472 -0.576 25177 7848 1 20 . 1 1 22 22 GLY CA C 22 45.562 45.562 44.972 0.590 25177 7849 1 20 . 1 1 22 22 GLY H H 22 8.454 8.454 7.993 0.461 25177 7850 1 20 . 1 1 23 23 GLY N N 23 107.014 107.014 109.528 -2.514 25177 7851 1 20 . 1 1 23 23 GLY C C 23 174.347 174.347 174.163 0.184 25177 7852 1 20 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.660 -0.146 25177 7853 1 20 . 1 1 23 23 GLY H H 23 7.759 7.759 8.113 -0.354 25177 7854 1 20 . 1 1 24 24 SER N N 24 116.572 116.572 113.399 3.173 25177 7855 1 20 . 1 1 24 24 SER HA H 24 4.519 4.519 4.486 0.033 25177 7856 1 20 . 1 1 24 24 SER C C 24 175.184 175.184 173.850 1.334 25177 7857 1 20 . 1 1 24 24 SER CA C 24 57.853 57.853 57.518 0.335 25177 7858 1 20 . 1 1 24 24 SER CB C 24 64.487 64.487 64.517 -0.030 25177 7859 1 20 . 1 1 24 24 SER H H 24 8.096 8.096 7.822 0.274 25177 7860 1 20 . 1 1 25 25 GLU N N 25 126.083 126.083 125.272 0.811 25177 7861 1 20 . 1 1 25 25 GLU HA H 25 3.853 3.853 3.998 -0.145 25177 7862 1 20 . 1 1 25 25 GLU C C 25 178.773 178.773 177.078 1.695 25177 7863 1 20 . 1 1 25 25 GLU CA C 25 59.974 59.974 59.176 0.798 25177 7864 1 20 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.270 -0.088 25177 7865 1 20 . 1 1 25 25 GLU H H 25 9.042 9.042 8.775 0.267 25177 7866 1 20 . 1 1 26 26 ALA N N 26 121.614 121.614 121.249 0.365 25177 7867 1 20 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.334 -0.187 25177 7868 1 20 . 1 1 26 26 ALA C C 26 180.987 180.987 179.629 1.358 25177 7869 1 20 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.717 1.274 25177 7870 1 20 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.249 -0.150 25177 7871 1 20 . 1 1 26 26 ALA H H 26 8.514 8.514 7.918 0.596 25177 7872 1 20 . 1 1 27 27 GLU N N 27 119.564 119.564 120.115 -0.551 25177 7873 1 20 . 1 1 27 27 GLU HA H 27 4.111 4.111 4.010 0.101 25177 7874 1 20 . 1 1 27 27 GLU C C 27 179.198 179.198 178.622 0.576 25177 7875 1 20 . 1 1 27 27 GLU CA C 27 58.826 58.826 58.803 0.023 25177 7876 1 20 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.682 1.276 25177 7877 1 20 . 1 1 27 27 GLU H H 27 7.757 7.757 8.514 -0.757 25177 7878 1 20 . 1 1 28 28 CYS N N 28 120.060 120.060 117.150 2.910 25177 7879 1 20 . 1 1 28 28 CYS HA H 28 4.131 4.131 3.957 0.174 25177 7880 1 20 . 1 1 28 28 CYS C C 28 176.521 176.521 176.798 -0.277 25177 7881 1 20 . 1 1 28 28 CYS CA C 28 63.711 63.711 62.697 1.014 25177 7882 1 20 . 1 1 28 28 CYS CB C 28 26.601 26.601 25.645 0.956 25177 7883 1 20 . 1 1 28 28 CYS H H 28 8.145 8.145 7.880 0.265 25177 7884 1 20 . 1 1 29 29 ALA N N 29 122.930 122.930 122.317 0.613 25177 7885 1 20 . 1 1 29 29 ALA HA H 29 4.210 4.210 3.991 0.219 25177 7886 1 20 . 1 1 29 29 ALA C C 29 179.659 179.659 179.187 0.472 25177 7887 1 20 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.344 -0.450 25177 7888 1 20 . 1 1 29 29 ALA CB C 29 17.701 17.701 17.914 -0.213 25177 7889 1 20 . 1 1 29 29 ALA H H 29 8.342 8.342 7.816 0.526 25177 7890 1 20 . 1 1 30 30 ALA N N 30 121.235 121.235 120.963 0.272 25177 7891 1 20 . 1 1 30 30 ALA HA H 30 4.225 4.225 3.994 0.231 25177 7892 1 20 . 1 1 30 30 ALA C C 30 180.452 180.452 179.472 0.980 25177 7893 1 20 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.868 0.092 25177 7894 1 20 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.350 -0.601 25177 7895 1 20 . 1 1 30 30 ALA H H 30 7.676 7.676 7.693 -0.017 25177 7896 1 20 . 1 1 31 31 PHE N N 31 121.297 121.297 119.535 1.762 25177 7897 1 20 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.215 0.126 25177 7898 1 20 . 1 1 31 31 PHE C C 31 177.355 177.355 177.780 -0.425 25177 7899 1 20 . 1 1 31 31 PHE CA C 31 61.019 61.019 59.999 1.020 25177 7900 1 20 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.591 0.723 25177 7901 1 20 . 1 1 31 31 PHE H H 31 8.086 8.086 8.160 -0.074 25177 7902 1 20 . 1 1 32 32 GLU N N 32 119.861 119.861 120.165 -0.304 25177 7903 1 20 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.885 -0.101 25177 7904 1 20 . 1 1 32 32 GLU C C 32 178.906 178.906 178.846 0.060 25177 7905 1 20 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.127 -0.183 25177 7906 1 20 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.558 -0.615 25177 7907 1 20 . 1 1 32 32 GLU H H 32 8.417 8.417 8.321 0.096 25177 7908 1 20 . 1 1 33 33 LYS N N 33 118.133 118.133 119.521 -1.388 25177 7909 1 20 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.981 0.063 25177 7910 1 20 . 1 1 33 33 LYS C C 33 179.471 179.471 178.850 0.621 25177 7911 1 20 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.570 -0.173 25177 7912 1 20 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.336 -0.105 25177 7913 1 20 . 1 1 33 33 LYS H H 33 7.491 7.491 7.946 -0.455 25177 7914 1 20 . 1 1 34 34 GLU N N 34 121.763 121.763 119.744 2.019 25177 7915 1 20 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.932 0.185 25177 7916 1 20 . 1 1 34 34 GLU C C 34 179.955 179.955 179.151 0.804 25177 7917 1 20 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.470 0.046 25177 7918 1 20 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.485 -0.022 25177 7919 1 20 . 1 1 34 34 GLU H H 34 7.699 7.699 7.946 -0.247 25177 7920 1 20 . 1 1 35 35 ILE N N 35 121.167 121.167 119.228 1.939 25177 7921 1 20 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.635 0.148 25177 7922 1 20 . 1 1 35 35 ILE C C 35 177.219 177.219 178.097 -0.878 25177 7923 1 20 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.927 0.034 25177 7924 1 20 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.642 1.014 25177 7925 1 20 . 1 1 35 35 ILE H H 35 8.120 8.120 7.964 0.156 25177 7926 1 20 . 1 1 36 36 ALA N N 36 124.132 124.132 123.008 1.124 25177 7927 1 20 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.150 0.196 25177 7928 1 20 . 1 1 36 36 ALA C C 36 180.915 180.915 179.632 1.283 25177 7929 1 20 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.158 -0.154 25177 7930 1 20 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.143 -0.383 25177 7931 1 20 . 1 1 36 36 ALA H H 36 8.161 8.161 8.069 0.092 25177 7932 1 20 . 1 1 37 37 ALA N N 37 121.980 121.980 121.030 0.950 25177 7933 1 20 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.217 -0.027 25177 7934 1 20 . 1 1 37 37 ALA C C 37 180.126 180.126 179.756 0.370 25177 7935 1 20 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.407 0.633 25177 7936 1 20 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.459 -0.859 25177 7937 1 20 . 1 1 37 37 ALA H H 37 7.887 7.887 7.977 -0.090 25177 7938 1 20 . 1 1 38 38 PHE N N 38 121.517 121.517 119.787 1.730 25177 7939 1 20 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.197 -0.004 25177 7940 1 20 . 1 1 38 38 PHE C C 38 177.044 177.044 177.617 -0.573 25177 7941 1 20 . 1 1 38 38 PHE CA C 38 61.485 61.485 60.561 0.924 25177 7942 1 20 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.997 0.080 25177 7943 1 20 . 1 1 38 38 PHE H H 38 7.751 7.751 8.205 -0.454 25177 7944 1 20 . 1 1 39 39 GLU N N 39 118.815 118.815 118.076 0.739 25177 7945 1 20 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.904 -0.266 25177 7946 1 20 . 1 1 39 39 GLU C C 39 179.591 179.591 178.891 0.700 25177 7947 1 20 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.587 0.834 25177 7948 1 20 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.231 0.631 25177 7949 1 20 . 1 1 39 39 GLU H H 39 8.746 8.746 8.591 0.155 25177 7950 1 20 . 1 1 40 40 SER N N 40 115.384 115.384 115.645 -0.261 25177 7951 1 20 . 1 1 40 40 SER HA H 40 4.176 4.176 4.201 -0.025 25177 7952 1 20 . 1 1 40 40 SER C C 40 177.354 177.354 177.035 0.319 25177 7953 1 20 . 1 1 40 40 SER CA C 40 61.771 61.771 61.419 0.352 25177 7954 1 20 . 1 1 40 40 SER CB C 40 62.786 62.786 63.102 -0.316 25177 7955 1 20 . 1 1 40 40 SER H H 40 8.171 8.171 8.206 -0.035 25177 7956 1 20 . 1 1 41 41 GLU N N 41 123.650 123.650 121.535 2.115 25177 7957 1 20 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.237 -0.164 25177 7958 1 20 . 1 1 41 41 GLU C C 41 179.360 179.360 178.597 0.763 25177 7959 1 20 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.739 0.771 25177 7960 1 20 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.051 -0.530 25177 7961 1 20 . 1 1 41 41 GLU H H 41 7.819 7.819 7.920 -0.101 25177 7962 1 20 . 1 1 42 42 LEU N N 42 119.352 119.352 118.567 0.785 25177 7963 1 20 . 1 1 42 42 LEU HA H 42 3.767 3.767 3.421 0.346 25177 7964 1 20 . 1 1 42 42 LEU C C 42 179.152 179.152 178.517 0.635 25177 7965 1 20 . 1 1 42 42 LEU CA C 42 56.964 56.964 56.985 -0.021 25177 7966 1 20 . 1 1 42 42 LEU CB C 42 41.492 41.492 41.995 -0.503 25177 7967 1 20 . 1 1 42 42 LEU H H 42 7.816 7.816 7.864 -0.048 25177 7968 1 20 . 1 1 43 43 GLN N N 43 118.423 118.423 117.341 1.082 25177 7969 1 20 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.051 -0.093 25177 7970 1 20 . 1 1 43 43 GLN C C 43 177.081 177.081 177.291 -0.210 25177 7971 1 20 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.887 0.278 25177 7972 1 20 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.330 -0.123 25177 7973 1 20 . 1 1 43 43 GLN H H 43 7.785 7.785 8.013 -0.228 25177 7974 1 20 . 1 1 44 44 ALA N N 44 120.300 120.300 120.399 -0.099 25177 7975 1 20 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.203 -0.042 25177 7976 1 20 . 1 1 44 44 ALA C C 44 177.823 177.823 178.899 -1.076 25177 7977 1 20 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.260 -0.104 25177 7978 1 20 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.713 -0.288 25177 7979 1 20 . 1 1 44 44 ALA H H 44 7.380 7.380 7.683 -0.303 25177 7980 1 20 . 1 1 45 45 TYR N N 45 118.887 118.887 118.233 0.654 25177 7981 1 20 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.106 0.267 25177 7982 1 20 . 1 1 45 45 TYR C C 45 176.018 176.018 177.179 -1.161 25177 7983 1 20 . 1 1 45 45 TYR CA C 45 58.749 58.749 60.448 -1.699 25177 7984 1 20 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.444 0.353 25177 7985 1 20 . 1 1 45 45 TYR H H 45 7.438 7.438 7.675 -0.237 25177 7986 1 20 . 1 1 46 46 LYS N N 46 124.177 124.177 114.395 9.782 25177 7987 1 20 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.315 -0.129 25177 7988 1 20 . 1 1 46 46 LYS C C 46 176.900 176.900 177.198 -0.298 25177 7989 1 20 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.848 -0.130 25177 7990 1 20 . 1 1 46 46 LYS CB C 46 32.774 32.774 33.628 -0.854 25177 7991 1 20 . 1 1 46 46 LYS H H 46 7.884 7.884 8.238 -0.354 25177 7992 1 20 . 1 1 47 47 GLY N N 47 109.590 109.590 108.372 1.218 25177 7993 1 20 . 1 1 47 47 GLY C C 47 174.029 174.029 175.406 -1.377 25177 7994 1 20 . 1 1 47 47 GLY CA C 47 45.597 45.597 46.436 -0.839 25177 7995 1 20 . 1 1 47 47 GLY H H 47 7.662 7.662 8.457 -0.795 25177 7996 1 20 . 1 1 48 48 LYS N N 48 120.521 120.521 121.879 -1.358 25177 7997 1 20 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.098 -0.177 25177 7998 1 20 . 1 1 48 48 LYS C C 48 177.262 177.262 178.676 -1.414 25177 7999 1 20 . 1 1 48 48 LYS CA C 48 56.345 56.345 58.582 -2.237 25177 8000 1 20 . 1 1 48 48 LYS CB C 48 32.878 32.878 32.328 0.550 25177 8001 1 20 . 1 1 48 48 LYS H H 48 8.049 8.049 7.589 0.460 25177 8002 1 20 . 1 1 49 49 GLY N N 49 110.678 110.678 105.668 5.010 25177 8003 1 20 . 1 1 49 49 GLY C C 49 173.842 173.842 174.251 -0.409 25177 8004 1 20 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.720 -0.135 25177 8005 1 20 . 1 1 49 49 GLY H H 49 8.604 8.604 8.226 0.378 25177 8006 1 20 . 1 1 50 50 ASN N N 50 120.298 120.298 118.090 2.208 25177 8007 1 20 . 1 1 50 50 ASN HA H 50 4.956 4.956 5.093 -0.137 25177 8008 1 20 . 1 1 50 50 ASN C C 50 177.904 177.904 174.449 3.455 25177 8009 1 20 . 1 1 50 50 ASN CA C 50 51.649 51.649 50.306 1.343 25177 8010 1 20 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.234 0.709 25177 8011 1 20 . 1 1 50 50 ASN H H 50 8.045 8.045 8.062 -0.017 25177 8012 1 20 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.487 -0.215 25177 8013 1 20 . 1 1 51 51 PRO C C 51 178.931 178.931 178.285 0.646 25177 8014 1 20 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.334 0.775 25177 8015 1 20 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.093 -0.259 25177 8016 1 20 . 1 1 52 52 GLU N N 52 119.291 119.291 119.513 -0.222 25177 8017 1 20 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.975 0.084 25177 8018 1 20 . 1 1 52 52 GLU C C 52 178.805 178.805 178.284 0.521 25177 8019 1 20 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.148 0.025 25177 8020 1 20 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.005 0.680 25177 8021 1 20 . 1 1 52 52 GLU H H 52 8.344 8.344 8.630 -0.286 25177 8022 1 20 . 1 1 53 53 VAL N N 53 120.013 120.013 119.831 0.182 25177 8023 1 20 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.793 -0.291 25177 8024 1 20 . 1 1 53 53 VAL C C 53 177.587 177.587 177.960 -0.373 25177 8025 1 20 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.326 0.620 25177 8026 1 20 . 1 1 53 53 VAL CB C 53 31.475 31.475 30.896 0.579 25177 8027 1 20 . 1 1 53 53 VAL H H 53 7.304 7.304 7.524 -0.220 25177 8028 1 20 . 1 1 54 54 GLU N N 54 119.848 119.848 120.031 -0.183 25177 8029 1 20 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.949 0.099 25177 8030 1 20 . 1 1 54 54 GLU C C 54 178.910 178.910 178.622 0.288 25177 8031 1 20 . 1 1 54 54 GLU CA C 54 58.857 58.857 60.003 -1.146 25177 8032 1 20 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.932 -0.233 25177 8033 1 20 . 1 1 54 54 GLU H H 54 7.820 7.820 8.456 -0.636 25177 8034 1 20 . 1 1 55 55 ALA N N 55 121.463 121.463 121.848 -0.385 25177 8035 1 20 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.106 0.039 25177 8036 1 20 . 1 1 55 55 ALA C C 55 180.920 180.920 179.915 1.005 25177 8037 1 20 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.130 0.128 25177 8038 1 20 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.202 -0.402 25177 8039 1 20 . 1 1 55 55 ALA H H 55 7.701 7.701 7.722 -0.021 25177 8040 1 20 . 1 1 56 56 LEU N N 56 120.343 120.343 118.571 1.772 25177 8041 1 20 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.840 0.305 25177 8042 1 20 . 1 1 56 56 LEU C C 56 178.721 178.721 179.454 -0.733 25177 8043 1 20 . 1 1 56 56 LEU CA C 56 57.899 57.899 57.941 -0.042 25177 8044 1 20 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.250 0.948 25177 8045 1 20 . 1 1 56 56 LEU H H 56 7.656 7.656 7.802 -0.146 25177 8046 1 20 . 1 1 57 57 ARG N N 57 119.950 119.950 119.035 0.915 25177 8047 1 20 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.936 -0.115 25177 8048 1 20 . 1 1 57 57 ARG C C 57 179.667 179.667 178.761 0.906 25177 8049 1 20 . 1 1 57 57 ARG CA C 57 60.187 60.187 60.105 0.083 25177 8050 1 20 . 1 1 57 57 ARG CB C 57 29.185 29.185 30.034 -0.849 25177 8051 1 20 . 1 1 57 57 ARG H H 57 8.350 8.350 8.457 -0.107 25177 8052 1 20 . 1 1 58 58 LYS N N 58 120.501 120.501 120.284 0.217 25177 8053 1 20 . 1 1 58 58 LYS HA H 58 4.030 4.030 3.982 0.048 25177 8054 1 20 . 1 1 58 58 LYS C C 58 179.448 179.448 178.820 0.628 25177 8055 1 20 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.800 -0.222 25177 8056 1 20 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.254 0.115 25177 8057 1 20 . 1 1 58 58 LYS H H 58 7.989 7.989 8.164 -0.175 25177 8058 1 20 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.896 0.248 25177 8059 1 20 . 1 1 59 59 GLU C C 59 178.877 178.877 178.897 -0.020 25177 8060 1 20 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.752 -0.333 25177 8061 1 20 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.593 -0.360 25177 8062 1 20 . 1 1 59 59 GLU H H 59 7.891 7.891 8.099 -0.208 25177 8063 1 20 . 1 1 60 60 ALA N N 60 122.069 122.069 121.696 0.373 25177 8064 1 20 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.984 -0.048 25177 8065 1 20 . 1 1 60 60 ALA C C 60 178.379 178.379 179.582 -1.203 25177 8066 1 20 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.182 -0.288 25177 8067 1 20 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.113 -0.585 25177 8068 1 20 . 1 1 60 60 ALA H H 60 8.480 8.480 8.334 0.146 25177 8069 1 20 . 1 1 61 61 ALA N N 61 121.446 121.446 121.132 0.314 25177 8070 1 20 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.935 0.210 25177 8071 1 20 . 1 1 61 61 ALA C C 61 178.579 178.579 179.381 -0.802 25177 8072 1 20 . 1 1 61 61 ALA CA C 61 55.440 55.440 55.067 0.373 25177 8073 1 20 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.412 -0.246 25177 8074 1 20 . 1 1 61 61 ALA H H 61 7.702 7.702 8.043 -0.341 25177 8075 1 20 . 1 1 62 62 ALA N N 62 119.705 119.705 121.711 -2.006 25177 8076 1 20 . 1 1 62 62 ALA HA H 62 4.032 4.032 3.997 0.035 25177 8077 1 20 . 1 1 62 62 ALA C C 62 180.829 180.829 179.615 1.214 25177 8078 1 20 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.837 -0.042 25177 8079 1 20 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.478 -0.806 25177 8080 1 20 . 1 1 62 62 ALA H H 62 7.818 7.818 7.801 0.017 25177 8081 1 20 . 1 1 63 63 ILE N N 63 121.021 121.021 119.785 1.236 25177 8082 1 20 . 1 1 63 63 ILE HA H 63 3.851 3.851 4.112 -0.261 25177 8083 1 20 . 1 1 63 63 ILE C C 63 178.076 178.076 178.061 0.015 25177 8084 1 20 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.291 -0.603 25177 8085 1 20 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.643 0.312 25177 8086 1 20 . 1 1 63 63 ILE H H 63 7.876 7.876 8.200 -0.324 25177 8087 1 20 . 1 1 64 64 ARG N N 64 121.460 121.460 120.513 0.947 25177 8088 1 20 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.928 -0.037 25177 8089 1 20 . 1 1 64 64 ARG C C 64 178.617 178.617 177.968 0.649 25177 8090 1 20 . 1 1 64 64 ARG CA C 64 60.327 60.327 58.927 1.400 25177 8091 1 20 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.290 0.032 25177 8092 1 20 . 1 1 64 64 ARG H H 64 8.023 8.023 8.211 -0.188 25177 8093 1 20 . 1 1 65 65 ASP N N 65 119.343 119.343 119.354 -0.011 25177 8094 1 20 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.315 0.070 25177 8095 1 20 . 1 1 65 65 ASP C C 65 178.827 178.827 178.826 0.001 25177 8096 1 20 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.212 0.100 25177 8097 1 20 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.076 0.287 25177 8098 1 20 . 1 1 65 65 ASP H H 65 8.046 8.046 8.241 -0.195 25177 8099 1 20 . 1 1 66 66 GLU N N 66 121.291 121.291 120.781 0.510 25177 8100 1 20 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.649 0.389 25177 8101 1 20 . 1 1 66 66 GLU C C 66 178.410 178.410 178.670 -0.260 25177 8102 1 20 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.296 -0.403 25177 8103 1 20 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.369 0.107 25177 8104 1 20 . 1 1 66 66 GLU H H 66 7.931 7.931 7.980 -0.049 25177 8105 1 20 . 1 1 67 67 CYS N N 67 117.825 117.825 117.900 -0.075 25177 8106 1 20 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.113 0.086 25177 8107 1 20 . 1 1 67 67 CYS C C 67 176.095 176.095 177.039 -0.944 25177 8108 1 20 . 1 1 67 67 CYS CA C 67 61.485 61.485 64.414 -2.929 25177 8109 1 20 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.633 -0.622 25177 8110 1 20 . 1 1 67 67 CYS H H 67 8.009 8.009 8.152 -0.143 25177 8111 1 20 . 1 1 68 68 GLN N N 68 118.847 118.847 117.974 0.873 25177 8112 1 20 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.031 0.086 25177 8113 1 20 . 1 1 68 68 GLN C C 68 177.110 177.110 178.665 -1.555 25177 8114 1 20 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.633 -1.179 25177 8115 1 20 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.160 0.188 25177 8116 1 20 . 1 1 68 68 GLN H H 68 7.906 7.906 7.888 0.018 25177 8117 1 20 . 1 1 69 69 ALA N N 69 122.260 122.260 123.271 -1.011 25177 8118 1 20 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.098 0.005 25177 8119 1 20 . 1 1 69 69 ALA C C 69 178.367 178.367 179.844 -1.477 25177 8120 1 20 . 1 1 69 69 ALA CA C 69 53.682 53.682 54.754 -1.072 25177 8121 1 20 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.198 -0.002 25177 8122 1 20 . 1 1 69 69 ALA H H 69 7.648 7.648 7.809 -0.161 25177 8123 1 20 . 1 1 70 70 TYR N N 70 117.039 117.039 116.540 0.499 25177 8124 1 20 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.327 0.083 25177 8125 1 20 . 1 1 70 70 TYR C C 70 176.061 176.061 176.777 -0.716 25177 8126 1 20 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.967 -0.511 25177 8127 1 20 . 1 1 70 70 TYR CB C 70 38.211 38.211 37.803 0.408 25177 8128 1 20 . 1 1 70 70 TYR H H 70 7.541 7.541 7.877 -0.336 25177 8129 1 20 . 1 1 71 71 ARG N N 71 120.503 120.503 118.117 2.386 25177 8130 1 20 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.340 -0.096 25177 8131 1 20 . 1 1 71 71 ARG C C 71 175.759 175.759 176.102 -0.343 25177 8132 1 20 . 1 1 71 71 ARG CA C 71 56.020 56.020 55.398 0.622 25177 8133 1 20 . 1 1 71 71 ARG CB C 71 30.629 30.629 29.212 1.417 25177 8134 1 20 . 1 1 71 71 ARG H H 71 7.541 7.541 7.407 0.134 25177 8135 1 20 . 1 1 72 72 HIS N N 72 120.119 120.119 116.780 3.339 25177 8136 1 20 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.313 0.351 25177 8137 1 20 . 1 1 72 72 HIS C C 72 173.738 173.738 174.535 -0.797 25177 8138 1 20 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.874 -1.481 25177 8139 1 20 . 1 1 72 72 HIS CB C 72 29.761 29.761 28.106 1.655 25177 8140 1 20 . 1 1 72 72 HIS H H 72 8.126 8.126 8.029 0.097 25177 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 67 2.060 -0.756 1.930 25177 2 1 1 "Average Difference" HA 74 0.218 -0.019 0.219 25177 3 1 1 "Average Difference" C 70 0.843 -0.217 0.821 25177 4 1 1 "Average Difference" CA 70 0.833 0.120 0.831 25177 5 1 1 "Average Difference" CB 66 0.713 0.126 0.707 25177 6 1 1 "Average Difference" HN 68 0.361 0.090 0.352 25177 7 1 2 "Average Difference" N 67 2.173 -1.092 1.893 25177 8 1 2 "Average Difference" HA 74 0.219 -0.048 0.215 25177 9 1 2 "Average Difference" C 70 0.760 -0.213 0.735 25177 10 1 2 "Average Difference" CA 70 0.983 0.132 0.981 25177 11 1 2 "Average Difference" CB 66 0.797 0.024 0.802 25177 12 1 2 "Average Difference" HN 68 0.317 0.068 0.312 25177 13 1 3 "Average Difference" N 67 2.241 -0.982 2.030 25177 14 1 3 "Average Difference" HA 74 0.236 -0.020 0.236 25177 15 1 3 "Average Difference" C 70 0.904 -0.220 0.883 25177 16 1 3 "Average Difference" CA 70 0.899 0.163 0.891 25177 17 1 3 "Average Difference" CB 66 0.731 0.096 0.730 25177 18 1 3 "Average Difference" HN 68 0.370 0.099 0.359 25177 19 1 4 "Average Difference" N 67 1.927 -0.877 1.728 25177 20 1 4 "Average Difference" HA 74 0.237 -0.022 0.238 25177 21 1 4 "Average Difference" C 70 0.871 -0.291 0.826 25177 22 1 4 "Average Difference" CA 70 0.822 0.081 0.823 25177 23 1 4 "Average Difference" CB 66 0.748 0.046 0.752 25177 24 1 4 "Average Difference" HN 68 0.361 0.075 0.356 25177 25 1 5 "Average Difference" N 67 2.132 -0.972 1.912 25177 26 1 5 "Average Difference" HA 74 0.239 -0.025 0.239 25177 27 1 5 "Average Difference" C 70 0.964 -0.326 0.914 25177 28 1 5 "Average Difference" CA 70 0.749 0.092 0.749 25177 29 1 5 "Average Difference" CB 66 0.856 0.001 0.863 25177 30 1 5 "Average Difference" HN 68 0.368 0.084 0.361 25177 31 1 6 "Average Difference" N 67 2.008 -0.851 1.832 25177 32 1 6 "Average Difference" HA 74 0.233 -0.029 0.232 25177 33 1 6 "Average Difference" C 70 0.862 -0.233 0.836 25177 34 1 6 "Average Difference" CA 70 0.847 0.146 0.840 25177 35 1 6 "Average Difference" CB 66 0.795 0.108 0.794 25177 36 1 6 "Average Difference" HN 68 0.379 0.125 0.360 25177 37 1 7 "Average Difference" N 67 1.955 -0.825 1.786 25177 38 1 7 "Average Difference" HA 74 0.233 -0.036 0.232 25177 39 1 7 "Average Difference" C 70 0.817 -0.225 0.791 25177 40 1 7 "Average Difference" CA 70 0.771 0.087 0.772 25177 41 1 7 "Average Difference" CB 66 0.798 0.044 0.803 25177 42 1 7 "Average Difference" HN 68 0.358 0.114 0.342 25177 43 1 8 "Average Difference" N 67 2.167 -0.999 1.937 25177 44 1 8 "Average Difference" HA 74 0.231 -0.003 0.232 25177 45 1 8 "Average Difference" C 70 0.910 -0.227 0.888 25177 46 1 8 "Average Difference" CA 70 0.744 0.066 0.747 25177 47 1 8 "Average Difference" CB 66 0.803 0.072 0.806 25177 48 1 8 "Average Difference" HN 68 0.349 0.085 0.341 25177 49 1 9 "Average Difference" N 67 1.966 -0.941 1.739 25177 50 1 9 "Average Difference" HA 74 0.230 -0.027 0.230 25177 51 1 9 "Average Difference" C 70 0.870 -0.242 0.842 25177 52 1 9 "Average Difference" CA 70 0.967 0.168 0.959 25177 53 1 9 "Average Difference" CB 66 0.712 0.127 0.706 25177 54 1 9 "Average Difference" HN 68 0.326 0.072 0.320 25177 55 1 10 "Average Difference" N 67 1.998 -0.920 1.787 25177 56 1 10 "Average Difference" HA 74 0.243 -0.026 0.243 25177 57 1 10 "Average Difference" C 70 0.854 -0.268 0.817 25177 58 1 10 "Average Difference" CA 70 0.839 0.136 0.834 25177 59 1 10 "Average Difference" CB 66 0.854 0.026 0.860 25177 60 1 10 "Average Difference" HN 68 0.355 0.109 0.340 25177 61 1 11 "Average Difference" N 67 2.051 -0.832 1.889 25177 62 1 11 "Average Difference" HA 74 0.228 -0.005 0.229 25177 63 1 11 "Average Difference" C 70 0.933 -0.257 0.904 25177 64 1 11 "Average Difference" CA 70 0.863 0.062 0.867 25177 65 1 11 "Average Difference" CB 66 0.762 0.014 0.768 25177 66 1 11 "Average Difference" HN 68 0.378 0.095 0.369 25177 67 1 12 "Average Difference" N 67 1.707 -0.699 1.569 25177 68 1 12 "Average Difference" HA 74 0.258 -0.061 0.253 25177 69 1 12 "Average Difference" C 70 0.862 -0.256 0.829 25177 70 1 12 "Average Difference" CA 70 0.757 0.078 0.758 25177 71 1 12 "Average Difference" CB 66 0.755 0.048 0.759 25177 72 1 12 "Average Difference" HN 68 0.328 0.116 0.308 25177 73 1 13 "Average Difference" N 67 2.172 -0.968 1.959 25177 74 1 13 "Average Difference" HA 74 0.234 -0.026 0.234 25177 75 1 13 "Average Difference" C 70 0.959 -0.206 0.943 25177 76 1 13 "Average Difference" CA 70 0.765 0.147 0.756 25177 77 1 13 "Average Difference" CB 66 0.707 0.146 0.697 25177 78 1 13 "Average Difference" HN 68 0.330 0.091 0.320 25177 79 1 14 "Average Difference" N 67 2.017 -0.993 1.769 25177 80 1 14 "Average Difference" HA 74 0.210 -0.007 0.211 25177 81 1 14 "Average Difference" C 70 0.874 -0.287 0.831 25177 82 1 14 "Average Difference" CA 70 0.793 0.151 0.784 25177 83 1 14 "Average Difference" CB 66 0.829 -0.065 0.833 25177 84 1 14 "Average Difference" HN 68 0.352 0.103 0.339 25177 85 1 15 "Average Difference" N 67 1.776 -0.804 1.596 25177 86 1 15 "Average Difference" HA 74 0.210 -0.029 0.210 25177 87 1 15 "Average Difference" C 70 0.786 -0.272 0.743 25177 88 1 15 "Average Difference" CA 70 0.763 0.035 0.767 25177 89 1 15 "Average Difference" CB 66 0.750 0.044 0.754 25177 90 1 15 "Average Difference" HN 68 0.354 0.114 0.338 25177 91 1 16 "Average Difference" N 67 2.184 -0.963 1.975 25177 92 1 16 "Average Difference" HA 74 0.217 -0.020 0.218 25177 93 1 16 "Average Difference" C 70 0.921 -0.257 0.891 25177 94 1 16 "Average Difference" CA 70 1.038 0.161 1.033 25177 95 1 16 "Average Difference" CB 66 0.755 0.071 0.758 25177 96 1 16 "Average Difference" HN 68 0.342 0.047 0.341 25177 97 1 17 "Average Difference" N 67 1.834 -0.856 1.634 25177 98 1 17 "Average Difference" HA 74 0.227 -0.040 0.225 25177 99 1 17 "Average Difference" C 70 0.856 -0.170 0.845 25177 100 1 17 "Average Difference" CA 70 0.920 0.125 0.918 25177 101 1 17 "Average Difference" CB 66 0.829 0.134 0.824 25177 102 1 17 "Average Difference" HN 68 0.337 0.104 0.323 25177 103 1 18 "Average Difference" N 67 2.142 -0.943 1.938 25177 104 1 18 "Average Difference" HA 74 0.215 -0.042 0.212 25177 105 1 18 "Average Difference" C 70 0.901 -0.107 0.901 25177 106 1 18 "Average Difference" CA 70 1.041 0.218 1.026 25177 107 1 18 "Average Difference" CB 66 0.745 0.026 0.750 25177 108 1 18 "Average Difference" HN 68 0.328 0.076 0.322 25177 109 1 19 "Average Difference" N 67 2.185 -0.914 2.000 25177 110 1 19 "Average Difference" HA 74 0.368 -0.068 0.365 25177 111 1 19 "Average Difference" C 70 0.877 -0.245 0.849 25177 112 1 19 "Average Difference" CA 70 0.761 0.039 0.765 25177 113 1 19 "Average Difference" CB 66 0.775 0.066 0.778 25177 114 1 19 "Average Difference" HN 68 0.341 0.061 0.338 25177 115 1 20 "Average Difference" N 67 2.144 -1.006 1.908 25177 116 1 20 "Average Difference" HA 74 0.221 -0.057 0.215 25177 117 1 20 "Average Difference" C 70 0.905 -0.077 0.908 25177 118 1 20 "Average Difference" CA 70 1.113 0.164 1.109 25177 119 1 20 "Average Difference" CB 66 0.839 -0.043 0.844 25177 120 1 20 "Average Difference" HN 68 0.320 0.091 0.309 25177 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 25177 _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 3 3 SER HA H 3 4.362 4.362 4.654 -0.292 25177 2 1 . 1 1 3 3 SER C C 3 176.187 176.187 175.246 0.941 25177 3 1 . 1 1 3 3 SER CA C 3 55.064 55.064 58.530 -3.466 25177 4 1 . 1 1 3 3 SER CB C 3 61.154 61.154 63.117 -1.963 25177 5 1 . 1 1 4 4 TRP N N 4 122.487 122.487 124.228 -1.741 25177 6 1 . 1 1 4 4 TRP HA H 4 4.532 4.532 4.403 0.129 25177 7 1 . 1 1 4 4 TRP C C 4 177.481 177.481 176.509 0.972 25177 8 1 . 1 1 4 4 TRP CA C 4 59.541 59.541 60.809 -1.268 25177 9 1 . 1 1 4 4 TRP CB C 4 29.557 29.557 29.661 -0.104 25177 10 1 . 1 1 4 4 TRP H H 4 8.287 8.287 7.845 0.442 25177 11 1 . 1 1 5 5 ALA N N 5 121.306 121.306 121.394 -0.088 25177 12 1 . 1 1 5 5 ALA HA H 5 3.882 3.882 3.966 -0.084 25177 13 1 . 1 1 5 5 ALA C C 5 180.462 180.462 179.660 0.802 25177 14 1 . 1 1 5 5 ALA CA C 5 55.398 55.398 55.735 -0.337 25177 15 1 . 1 1 5 5 ALA CB C 5 18.029 18.029 17.913 0.116 25177 16 1 . 1 1 5 5 ALA H H 5 8.287 8.287 8.431 -0.144 25177 17 1 . 1 1 6 6 GLU N N 6 118.841 118.841 119.091 -0.250 25177 18 1 . 1 1 6 6 GLU HA H 6 4.062 4.062 4.032 0.030 25177 19 1 . 1 1 6 6 GLU C C 6 179.425 179.425 179.031 0.394 25177 20 1 . 1 1 6 6 GLU CA C 6 59.242 59.242 59.551 -0.309 25177 21 1 . 1 1 6 6 GLU CB C 6 29.217 29.217 29.532 -0.315 25177 22 1 . 1 1 6 6 GLU H H 6 7.805 7.805 8.247 -0.442 25177 23 1 . 1 1 7 7 PHE N N 7 120.314 120.314 118.959 1.355 25177 24 1 . 1 1 7 7 PHE HA H 7 4.365 4.365 4.279 0.086 25177 25 1 . 1 1 7 7 PHE C C 7 178.168 178.168 177.958 0.210 25177 26 1 . 1 1 7 7 PHE CA C 7 61.400 61.400 61.662 -0.262 25177 27 1 . 1 1 7 7 PHE CB C 7 39.174 39.174 38.775 0.399 25177 28 1 . 1 1 7 7 PHE H H 7 7.950 7.950 7.849 0.101 25177 29 1 . 1 1 8 8 LYS N N 8 119.370 119.370 119.599 -0.229 25177 30 1 . 1 1 8 8 LYS HA H 8 3.807 3.807 3.806 0.001 25177 31 1 . 1 1 8 8 LYS C C 8 179.501 179.501 178.995 0.506 25177 32 1 . 1 1 8 8 LYS CA C 8 60.102 60.102 59.313 0.789 25177 33 1 . 1 1 8 8 LYS CB C 8 31.793 31.793 31.881 -0.088 25177 34 1 . 1 1 8 8 LYS H H 8 8.214 8.214 8.311 -0.097 25177 35 1 . 1 1 9 9 GLN N N 9 120.219 120.219 119.072 1.147 25177 36 1 . 1 1 9 9 GLN HA H 9 4.075 4.075 3.992 0.083 25177 37 1 . 1 1 9 9 GLN C C 9 178.818 178.818 178.513 0.305 25177 38 1 . 1 1 9 9 GLN CA C 9 58.598 58.598 59.354 -0.756 25177 39 1 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.713 -0.613 25177 40 1 . 1 1 9 9 GLN H H 9 7.859 7.859 8.146 -0.287 25177 41 1 . 1 1 10 10 ARG N N 10 122.005 122.005 119.745 2.260 25177 42 1 . 1 1 10 10 ARG HA H 10 4.053 4.053 3.938 0.115 25177 43 1 . 1 1 10 10 ARG C C 10 179.057 179.057 178.845 0.212 25177 44 1 . 1 1 10 10 ARG CA C 10 59.075 59.075 59.250 -0.175 25177 45 1 . 1 1 10 10 ARG CB C 10 30.535 30.535 29.789 0.746 25177 46 1 . 1 1 10 10 ARG H H 10 8.135 8.135 8.024 0.111 25177 47 1 . 1 1 11 11 LEU N N 11 120.796 120.796 119.697 1.099 25177 48 1 . 1 1 11 11 LEU HA H 11 3.641 3.641 3.804 -0.163 25177 49 1 . 1 1 11 11 LEU C C 11 177.921 177.921 178.411 -0.490 25177 50 1 . 1 1 11 11 LEU CA C 11 57.226 57.226 57.789 -0.563 25177 51 1 . 1 1 11 11 LEU CB C 11 40.604 40.604 41.579 -0.975 25177 52 1 . 1 1 11 11 LEU H H 11 8.066 8.066 8.060 0.006 25177 53 1 . 1 1 12 12 ALA N N 12 121.596 121.596 121.795 -0.199 25177 54 1 . 1 1 12 12 ALA HA H 12 4.013 4.013 3.887 0.126 25177 55 1 . 1 1 12 12 ALA C C 12 180.299 180.299 179.299 1.000 25177 56 1 . 1 1 12 12 ALA CA C 12 55.055 55.055 55.114 -0.059 25177 57 1 . 1 1 12 12 ALA CB C 12 17.431 17.431 17.978 -0.547 25177 58 1 . 1 1 12 12 ALA H H 12 7.670 7.670 8.069 -0.399 25177 59 1 . 1 1 13 13 ALA N N 13 121.486 121.486 121.424 0.061 25177 60 1 . 1 1 13 13 ALA HA H 13 4.162 4.162 3.998 0.164 25177 61 1 . 1 1 13 13 ALA C C 13 180.732 180.732 179.500 1.232 25177 62 1 . 1 1 13 13 ALA CA C 13 54.881 54.881 54.920 -0.039 25177 63 1 . 1 1 13 13 ALA CB C 13 17.816 17.816 18.380 -0.564 25177 64 1 . 1 1 13 13 ALA H H 13 7.601 7.601 7.875 -0.274 25177 65 1 . 1 1 14 14 ILE N N 14 121.912 121.912 118.430 3.482 25177 66 1 . 1 1 14 14 ILE HA H 14 3.674 3.674 3.087 0.587 25177 67 1 . 1 1 14 14 ILE C C 14 177.883 177.883 177.991 -0.108 25177 68 1 . 1 1 14 14 ILE CA C 14 65.821 65.821 65.065 0.756 25177 69 1 . 1 1 14 14 ILE CB C 14 38.078 38.078 37.260 0.818 25177 70 1 . 1 1 14 14 ILE H H 14 7.843 7.843 7.985 -0.142 25177 71 1 . 1 1 15 15 LYS N N 15 121.705 121.705 120.340 1.365 25177 72 1 . 1 1 15 15 LYS HA H 15 3.837 3.837 3.919 -0.082 25177 73 1 . 1 1 15 15 LYS C C 15 178.896 178.896 178.963 -0.067 25177 74 1 . 1 1 15 15 LYS CA C 15 60.438 60.438 60.181 0.257 25177 75 1 . 1 1 15 15 LYS CB C 15 32.117 32.117 32.361 -0.244 25177 76 1 . 1 1 15 15 LYS H H 15 8.439 8.439 8.123 0.316 25177 77 1 . 1 1 16 16 THR N N 16 115.218 115.218 116.729 -1.511 25177 78 1 . 1 1 16 16 THR HA H 16 3.919 3.919 3.962 -0.043 25177 79 1 . 1 1 16 16 THR C C 16 176.872 176.872 176.994 -0.122 25177 80 1 . 1 1 16 16 THR CA C 16 66.297 66.297 66.948 -0.651 25177 81 1 . 1 1 16 16 THR CB C 16 69.045 69.045 68.557 0.488 25177 82 1 . 1 1 16 16 THR H H 16 7.936 7.936 8.143 -0.207 25177 83 1 . 1 1 17 17 ARG N N 17 122.508 122.508 121.221 1.287 25177 84 1 . 1 1 17 17 ARG HA H 17 4.019 4.019 4.116 -0.097 25177 85 1 . 1 1 17 17 ARG C C 17 178.281 178.281 178.708 -0.427 25177 86 1 . 1 1 17 17 ARG CA C 17 58.970 58.970 59.332 -0.362 25177 87 1 . 1 1 17 17 ARG CB C 17 30.138 30.138 29.971 0.167 25177 88 1 . 1 1 17 17 ARG H H 17 7.781 7.781 8.184 -0.403 25177 89 1 . 1 1 18 18 CYS N N 18 119.296 119.296 117.820 1.476 25177 90 1 . 1 1 18 18 CYS HA H 18 3.474 3.474 4.199 -0.724 25177 91 1 . 1 1 18 18 CYS C C 18 176.151 176.151 176.358 -0.207 25177 92 1 . 1 1 18 18 CYS CA C 18 61.355 61.355 61.716 -0.361 25177 93 1 . 1 1 18 18 CYS CB C 18 26.572 26.572 27.406 -0.834 25177 94 1 . 1 1 18 18 CYS H H 18 8.158 8.158 7.887 0.271 25177 95 1 . 1 1 19 19 GLN N N 19 116.825 116.825 118.316 -1.491 25177 96 1 . 1 1 19 19 GLN HA H 19 4.040 4.040 4.226 -0.186 25177 97 1 . 1 1 19 19 GLN C C 19 176.178 176.178 177.779 -1.601 25177 98 1 . 1 1 19 19 GLN CA C 19 57.379 57.379 58.462 -1.083 25177 99 1 . 1 1 19 19 GLN CB C 19 28.284 28.284 29.121 -0.837 25177 100 1 . 1 1 19 19 GLN H H 19 7.523 7.523 7.940 -0.417 25177 101 1 . 1 1 20 20 ALA N N 20 121.265 121.265 120.002 1.264 25177 102 1 . 1 1 20 20 ALA HA H 20 4.361 4.361 4.238 0.123 25177 103 1 . 1 1 20 20 ALA C C 20 177.491 177.491 177.789 -0.298 25177 104 1 . 1 1 20 20 ALA CA C 20 51.870 51.870 52.716 -0.846 25177 105 1 . 1 1 20 20 ALA CB C 20 19.191 19.191 19.610 -0.419 25177 106 1 . 1 1 20 20 ALA H H 20 7.322 7.322 7.797 -0.476 25177 107 1 . 1 1 21 21 LEU N N 21 120.570 120.570 116.784 3.786 25177 108 1 . 1 1 21 21 LEU HA H 21 4.030 4.030 3.936 0.094 25177 109 1 . 1 1 21 21 LEU C C 21 177.889 177.889 177.241 0.648 25177 110 1 . 1 1 21 21 LEU CA C 21 55.960 55.960 55.101 0.859 25177 111 1 . 1 1 21 21 LEU CB C 21 42.488 42.488 39.310 3.178 25177 112 1 . 1 1 21 21 LEU H H 21 7.200 7.200 7.858 -0.658 25177 113 1 . 1 1 22 22 GLY N N 22 109.881 109.881 105.400 4.481 25177 114 1 . 1 1 22 22 GLY C C 22 174.896 174.896 175.148 -0.252 25177 115 1 . 1 1 22 22 GLY CA C 22 45.562 45.562 45.242 0.320 25177 116 1 . 1 1 22 22 GLY H H 22 8.454 8.454 8.124 0.330 25177 117 1 . 1 1 23 23 GLY N N 23 107.014 107.014 108.974 -1.960 25177 118 1 . 1 1 23 23 GLY C C 23 174.347 174.347 174.053 0.294 25177 119 1 . 1 1 23 23 GLY CA C 23 45.514 45.514 45.361 0.153 25177 120 1 . 1 1 23 23 GLY H H 23 7.759 7.759 8.225 -0.466 25177 121 1 . 1 1 24 24 SER N N 24 116.572 116.572 114.548 2.024 25177 122 1 . 1 1 24 24 SER HA H 24 4.519 4.519 4.583 -0.064 25177 123 1 . 1 1 24 24 SER C C 24 175.184 175.184 173.958 1.226 25177 124 1 . 1 1 24 24 SER CA C 24 57.853 57.853 57.567 0.286 25177 125 1 . 1 1 24 24 SER CB C 24 64.487 64.487 64.983 -0.496 25177 126 1 . 1 1 24 24 SER H H 24 8.096 8.096 7.759 0.337 25177 127 1 . 1 1 25 25 GLU N N 25 126.083 126.083 125.325 0.758 25177 128 1 . 1 1 25 25 GLU HA H 25 3.853 3.853 4.025 -0.172 25177 129 1 . 1 1 25 25 GLU C C 25 178.773 178.773 177.323 1.450 25177 130 1 . 1 1 25 25 GLU CA C 25 59.974 59.974 58.952 1.022 25177 131 1 . 1 1 25 25 GLU CB C 25 29.182 29.182 29.422 -0.240 25177 132 1 . 1 1 25 25 GLU H H 25 9.042 9.042 8.877 0.165 25177 133 1 . 1 1 26 26 ALA N N 26 121.614 121.614 122.150 -0.536 25177 134 1 . 1 1 26 26 ALA HA H 26 4.147 4.147 4.262 -0.115 25177 135 1 . 1 1 26 26 ALA C C 26 180.987 180.987 179.522 1.465 25177 136 1 . 1 1 26 26 ALA CA C 26 54.991 54.991 53.952 1.039 25177 137 1 . 1 1 26 26 ALA CB C 26 18.099 18.099 18.263 -0.164 25177 138 1 . 1 1 26 26 ALA H H 26 8.514 8.514 7.976 0.538 25177 139 1 . 1 1 27 27 GLU N N 27 119.564 119.564 120.051 -0.487 25177 140 1 . 1 1 27 27 GLU HA H 27 4.111 4.111 3.823 0.288 25177 141 1 . 1 1 27 27 GLU C C 27 179.198 179.198 178.499 0.699 25177 142 1 . 1 1 27 27 GLU CA C 27 58.826 58.826 59.112 -0.286 25177 143 1 . 1 1 27 27 GLU CB C 27 29.958 29.958 28.911 1.047 25177 144 1 . 1 1 27 27 GLU H H 27 7.757 7.757 8.402 -0.645 25177 145 1 . 1 1 28 28 CYS N N 28 120.060 120.060 117.406 2.654 25177 146 1 . 1 1 28 28 CYS HA H 28 4.131 4.131 4.087 0.044 25177 147 1 . 1 1 28 28 CYS C C 28 176.521 176.521 176.906 -0.385 25177 148 1 . 1 1 28 28 CYS CA C 28 63.711 63.711 63.518 0.193 25177 149 1 . 1 1 28 28 CYS CB C 28 26.601 26.601 26.724 -0.123 25177 150 1 . 1 1 28 28 CYS H H 28 8.145 8.145 7.709 0.436 25177 151 1 . 1 1 29 29 ALA N N 29 122.930 122.930 122.396 0.534 25177 152 1 . 1 1 29 29 ALA HA H 29 4.210 4.210 4.002 0.208 25177 153 1 . 1 1 29 29 ALA C C 29 179.659 179.659 178.972 0.687 25177 154 1 . 1 1 29 29 ALA CA C 29 54.894 54.894 55.157 -0.263 25177 155 1 . 1 1 29 29 ALA CB C 29 17.701 17.701 18.001 -0.300 25177 156 1 . 1 1 29 29 ALA H H 29 8.342 8.342 7.727 0.615 25177 157 1 . 1 1 30 30 ALA N N 30 121.235 121.235 121.187 0.048 25177 158 1 . 1 1 30 30 ALA HA H 30 4.225 4.225 4.003 0.222 25177 159 1 . 1 1 30 30 ALA C C 30 180.452 180.452 179.656 0.796 25177 160 1 . 1 1 30 30 ALA CA C 30 54.960 54.960 54.855 0.105 25177 161 1 . 1 1 30 30 ALA CB C 30 17.749 17.749 18.183 -0.434 25177 162 1 . 1 1 30 30 ALA H H 30 7.676 7.676 7.743 -0.067 25177 163 1 . 1 1 31 31 PHE N N 31 121.297 121.297 118.466 2.831 25177 164 1 . 1 1 31 31 PHE HA H 31 4.341 4.341 4.152 0.189 25177 165 1 . 1 1 31 31 PHE C C 31 177.355 177.355 177.923 -0.568 25177 166 1 . 1 1 31 31 PHE CA C 31 61.019 61.019 60.009 1.010 25177 167 1 . 1 1 31 31 PHE CB C 31 39.314 39.314 38.235 1.079 25177 168 1 . 1 1 31 31 PHE H H 31 8.086 8.086 7.969 0.117 25177 169 1 . 1 1 32 32 GLU N N 32 119.861 119.861 120.070 -0.209 25177 170 1 . 1 1 32 32 GLU HA H 32 3.784 3.784 3.875 -0.091 25177 171 1 . 1 1 32 32 GLU C C 32 178.906 178.906 178.985 -0.079 25177 172 1 . 1 1 32 32 GLU CA C 32 59.944 59.944 60.130 -0.186 25177 173 1 . 1 1 32 32 GLU CB C 32 28.943 28.943 29.439 -0.496 25177 174 1 . 1 1 32 32 GLU H H 32 8.417 8.417 8.285 0.132 25177 175 1 . 1 1 33 33 LYS N N 33 118.133 118.133 119.409 -1.276 25177 176 1 . 1 1 33 33 LYS HA H 33 4.044 4.044 3.992 0.052 25177 177 1 . 1 1 33 33 LYS C C 33 179.471 179.471 178.963 0.508 25177 178 1 . 1 1 33 33 LYS CA C 33 59.397 59.397 59.669 -0.272 25177 179 1 . 1 1 33 33 LYS CB C 33 32.231 32.231 32.336 -0.105 25177 180 1 . 1 1 33 33 LYS H H 33 7.491 7.491 7.934 -0.443 25177 181 1 . 1 1 34 34 GLU N N 34 121.763 121.763 119.851 1.912 25177 182 1 . 1 1 34 34 GLU HA H 34 4.117 4.117 3.965 0.152 25177 183 1 . 1 1 34 34 GLU C C 34 179.955 179.955 179.179 0.776 25177 184 1 . 1 1 34 34 GLU CA C 34 59.516 59.516 59.472 0.044 25177 185 1 . 1 1 34 34 GLU CB C 34 29.463 29.463 29.463 0.000 25177 186 1 . 1 1 34 34 GLU H H 34 7.699 7.699 8.009 -0.310 25177 187 1 . 1 1 35 35 ILE N N 35 121.167 121.167 119.268 1.899 25177 188 1 . 1 1 35 35 ILE HA H 35 3.783 3.783 3.682 0.101 25177 189 1 . 1 1 35 35 ILE C C 35 177.219 177.219 178.099 -0.880 25177 190 1 . 1 1 35 35 ILE CA C 35 63.961 63.961 63.919 0.042 25177 191 1 . 1 1 35 35 ILE CB C 35 37.656 37.656 36.670 0.986 25177 192 1 . 1 1 35 35 ILE H H 35 8.120 8.120 8.229 -0.109 25177 193 1 . 1 1 36 36 ALA N N 36 124.132 124.132 122.832 1.299 25177 194 1 . 1 1 36 36 ALA HA H 36 4.346 4.346 4.108 0.238 25177 195 1 . 1 1 36 36 ALA C C 36 180.915 180.915 179.679 1.236 25177 196 1 . 1 1 36 36 ALA CA C 36 55.004 55.004 55.251 -0.247 25177 197 1 . 1 1 36 36 ALA CB C 36 17.760 17.760 18.112 -0.352 25177 198 1 . 1 1 36 36 ALA H H 36 8.161 8.161 8.044 0.117 25177 199 1 . 1 1 37 37 ALA N N 37 121.980 121.980 120.920 1.060 25177 200 1 . 1 1 37 37 ALA HA H 37 4.190 4.190 4.153 0.037 25177 201 1 . 1 1 37 37 ALA C C 37 180.126 180.126 179.733 0.393 25177 202 1 . 1 1 37 37 ALA CA C 37 55.040 55.040 54.743 0.297 25177 203 1 . 1 1 37 37 ALA CB C 37 17.600 17.600 18.389 -0.789 25177 204 1 . 1 1 37 37 ALA H H 37 7.887 7.887 8.034 -0.147 25177 205 1 . 1 1 38 38 PHE N N 38 121.517 121.517 119.373 2.144 25177 206 1 . 1 1 38 38 PHE HA H 38 4.193 4.193 4.190 0.003 25177 207 1 . 1 1 38 38 PHE C C 38 177.044 177.044 177.754 -0.710 25177 208 1 . 1 1 38 38 PHE CA C 38 61.485 61.485 61.199 0.286 25177 209 1 . 1 1 38 38 PHE CB C 38 39.077 39.077 38.992 0.085 25177 210 1 . 1 1 38 38 PHE H H 38 7.751 7.751 8.251 -0.500 25177 211 1 . 1 1 39 39 GLU N N 39 118.815 118.815 118.118 0.697 25177 212 1 . 1 1 39 39 GLU HA H 39 3.638 3.638 3.933 -0.295 25177 213 1 . 1 1 39 39 GLU C C 39 179.591 179.591 178.898 0.693 25177 214 1 . 1 1 39 39 GLU CA C 39 60.421 60.421 59.629 0.792 25177 215 1 . 1 1 39 39 GLU CB C 39 29.862 29.862 29.114 0.748 25177 216 1 . 1 1 39 39 GLU H H 39 8.746 8.746 8.623 0.123 25177 217 1 . 1 1 40 40 SER N N 40 115.384 115.384 115.568 -0.184 25177 218 1 . 1 1 40 40 SER HA H 40 4.176 4.176 4.220 -0.044 25177 219 1 . 1 1 40 40 SER C C 40 177.354 177.354 176.791 0.563 25177 220 1 . 1 1 40 40 SER CA C 40 61.771 61.771 61.237 0.534 25177 221 1 . 1 1 40 40 SER CB C 40 62.786 62.786 63.027 -0.241 25177 222 1 . 1 1 40 40 SER H H 40 8.171 8.171 8.142 0.029 25177 223 1 . 1 1 41 41 GLU N N 41 123.650 123.650 120.778 2.872 25177 224 1 . 1 1 41 41 GLU HA H 41 4.073 4.073 4.137 -0.064 25177 225 1 . 1 1 41 41 GLU C C 41 179.360 179.360 178.598 0.762 25177 226 1 . 1 1 41 41 GLU CA C 41 59.510 59.510 58.537 0.973 25177 227 1 . 1 1 41 41 GLU CB C 41 29.521 29.521 30.000 -0.479 25177 228 1 . 1 1 41 41 GLU H H 41 7.819 7.819 7.947 -0.128 25177 229 1 . 1 1 42 42 LEU N N 42 119.352 119.352 118.464 0.888 25177 230 1 . 1 1 42 42 LEU HA H 42 3.767 3.767 3.983 -0.216 25177 231 1 . 1 1 42 42 LEU C C 42 179.152 179.152 178.692 0.460 25177 232 1 . 1 1 42 42 LEU CA C 42 56.964 56.964 57.289 -0.325 25177 233 1 . 1 1 42 42 LEU CB C 42 41.492 41.492 42.173 -0.681 25177 234 1 . 1 1 42 42 LEU H H 42 7.816 7.816 7.988 -0.172 25177 235 1 . 1 1 43 43 GLN N N 43 118.423 118.423 118.024 0.399 25177 236 1 . 1 1 43 43 GLN HA H 43 3.958 3.958 4.100 -0.142 25177 237 1 . 1 1 43 43 GLN C C 43 177.081 177.081 177.121 -0.040 25177 238 1 . 1 1 43 43 GLN CA C 43 58.165 58.165 57.994 0.171 25177 239 1 . 1 1 43 43 GLN CB C 43 28.207 28.207 28.223 -0.016 25177 240 1 . 1 1 43 43 GLN H H 43 7.785 7.785 8.090 -0.305 25177 241 1 . 1 1 44 44 ALA N N 44 120.300 120.300 120.563 -0.263 25177 242 1 . 1 1 44 44 ALA HA H 44 4.161 4.161 4.179 -0.018 25177 243 1 . 1 1 44 44 ALA C C 44 177.823 177.823 178.485 -0.662 25177 244 1 . 1 1 44 44 ALA CA C 44 53.156 53.156 53.265 -0.109 25177 245 1 . 1 1 44 44 ALA CB C 44 18.425 18.425 18.347 0.078 25177 246 1 . 1 1 44 44 ALA H H 44 7.380 7.380 7.575 -0.196 25177 247 1 . 1 1 45 45 TYR N N 45 118.887 118.887 118.322 0.565 25177 248 1 . 1 1 45 45 TYR HA H 45 4.373 4.373 4.179 0.194 25177 249 1 . 1 1 45 45 TYR C C 45 176.018 176.018 176.719 -0.701 25177 250 1 . 1 1 45 45 TYR CA C 45 58.749 58.749 59.917 -1.168 25177 251 1 . 1 1 45 45 TYR CB C 45 38.797 38.797 38.534 0.263 25177 252 1 . 1 1 45 45 TYR H H 45 7.438 7.438 7.362 0.076 25177 253 1 . 1 1 46 46 LYS N N 46 124.177 124.177 116.563 7.614 25177 254 1 . 1 1 46 46 LYS HA H 46 4.186 4.186 4.154 0.032 25177 255 1 . 1 1 46 46 LYS C C 46 176.900 176.900 176.481 0.419 25177 256 1 . 1 1 46 46 LYS CA C 46 56.718 56.718 56.821 -0.103 25177 257 1 . 1 1 46 46 LYS CB C 46 32.774 32.774 32.018 0.756 25177 258 1 . 1 1 46 46 LYS H H 46 7.884 7.884 8.126 -0.242 25177 259 1 . 1 1 47 47 GLY N N 47 109.590 109.590 108.582 1.008 25177 260 1 . 1 1 47 47 GLY C C 47 174.029 174.029 174.684 -0.655 25177 261 1 . 1 1 47 47 GLY CA C 47 45.597 45.597 45.107 0.490 25177 262 1 . 1 1 47 47 GLY H H 47 7.662 7.662 8.492 -0.830 25177 263 1 . 1 1 48 48 LYS N N 48 120.521 120.521 122.075 -1.554 25177 264 1 . 1 1 48 48 LYS HA H 48 3.921 3.921 4.016 -0.095 25177 265 1 . 1 1 48 48 LYS C C 48 177.262 177.262 177.376 -0.114 25177 266 1 . 1 1 48 48 LYS CA C 48 56.345 56.345 57.450 -1.105 25177 267 1 . 1 1 48 48 LYS CB C 48 32.878 32.878 31.928 0.950 25177 268 1 . 1 1 48 48 LYS H H 48 8.049 8.049 8.224 -0.175 25177 269 1 . 1 1 49 49 GLY N N 49 110.678 110.678 107.133 3.545 25177 270 1 . 1 1 49 49 GLY C C 49 173.842 173.842 174.065 -0.223 25177 271 1 . 1 1 49 49 GLY CA C 49 45.585 45.585 45.285 0.300 25177 272 1 . 1 1 49 49 GLY H H 49 8.604 8.604 8.327 0.277 25177 273 1 . 1 1 50 50 ASN N N 50 120.298 120.298 118.230 2.068 25177 274 1 . 1 1 50 50 ASN HA H 50 4.956 4.956 4.896 0.060 25177 275 1 . 1 1 50 50 ASN C C 50 177.904 177.904 174.333 3.571 25177 276 1 . 1 1 50 50 ASN CA C 50 51.649 51.649 51.488 0.161 25177 277 1 . 1 1 50 50 ASN CB C 50 38.943 38.943 38.672 0.271 25177 278 1 . 1 1 50 50 ASN H H 50 8.045 8.045 7.931 0.114 25177 279 1 . 1 1 51 51 PRO HA H 51 4.272 4.272 4.380 -0.108 25177 280 1 . 1 1 51 51 PRO C C 51 178.931 178.931 177.995 0.936 25177 281 1 . 1 1 51 51 PRO CA C 51 65.109 65.109 64.616 0.493 25177 282 1 . 1 1 51 51 PRO CB C 51 31.834 31.834 32.026 -0.192 25177 283 1 . 1 1 52 52 GLU N N 52 119.291 119.291 118.984 0.307 25177 284 1 . 1 1 52 52 GLU HA H 52 4.059 4.059 3.906 0.153 25177 285 1 . 1 1 52 52 GLU C C 52 178.805 178.805 178.301 0.504 25177 286 1 . 1 1 52 52 GLU CA C 52 59.173 59.173 59.136 0.037 25177 287 1 . 1 1 52 52 GLU CB C 52 28.685 28.685 28.143 0.542 25177 288 1 . 1 1 52 52 GLU H H 52 8.344 8.344 8.680 -0.336 25177 289 1 . 1 1 53 53 VAL N N 53 120.013 120.013 119.660 0.353 25177 290 1 . 1 1 53 53 VAL HA H 53 3.502 3.502 3.815 -0.313 25177 291 1 . 1 1 53 53 VAL C C 53 177.587 177.587 177.862 -0.275 25177 292 1 . 1 1 53 53 VAL CA C 53 65.946 65.946 65.240 0.706 25177 293 1 . 1 1 53 53 VAL CB C 53 31.475 31.475 31.092 0.383 25177 294 1 . 1 1 53 53 VAL H H 53 7.304 7.304 7.630 -0.326 25177 295 1 . 1 1 54 54 GLU N N 54 119.848 119.848 120.545 -0.697 25177 296 1 . 1 1 54 54 GLU HA H 54 4.048 4.048 3.987 0.061 25177 297 1 . 1 1 54 54 GLU C C 54 178.910 178.910 178.559 0.351 25177 298 1 . 1 1 54 54 GLU CA C 54 58.857 58.857 59.823 -0.966 25177 299 1 . 1 1 54 54 GLU CB C 54 28.699 28.699 28.960 -0.261 25177 300 1 . 1 1 54 54 GLU H H 54 7.820 7.820 7.995 -0.175 25177 301 1 . 1 1 55 55 ALA N N 55 121.463 121.463 122.293 -0.830 25177 302 1 . 1 1 55 55 ALA HA H 55 4.145 4.145 4.177 -0.032 25177 303 1 . 1 1 55 55 ALA C C 55 180.920 180.920 179.796 1.124 25177 304 1 . 1 1 55 55 ALA CA C 55 55.259 55.259 55.045 0.214 25177 305 1 . 1 1 55 55 ALA CB C 55 17.800 17.800 18.453 -0.653 25177 306 1 . 1 1 55 55 ALA H H 55 7.701 7.701 7.820 -0.119 25177 307 1 . 1 1 56 56 LEU N N 56 120.343 120.343 119.331 1.012 25177 308 1 . 1 1 56 56 LEU HA H 56 4.145 4.145 3.955 0.190 25177 309 1 . 1 1 56 56 LEU C C 56 178.721 178.721 179.254 -0.533 25177 310 1 . 1 1 56 56 LEU CA C 56 57.899 57.899 58.073 -0.174 25177 311 1 . 1 1 56 56 LEU CB C 56 42.198 42.198 41.426 0.772 25177 312 1 . 1 1 56 56 LEU H H 56 7.656 7.656 7.707 -0.051 25177 313 1 . 1 1 57 57 ARG N N 57 119.950 119.950 118.874 1.076 25177 314 1 . 1 1 57 57 ARG HA H 57 3.821 3.821 3.965 -0.144 25177 315 1 . 1 1 57 57 ARG C C 57 179.667 179.667 178.541 1.126 25177 316 1 . 1 1 57 57 ARG CA C 57 60.187 60.187 59.600 0.587 25177 317 1 . 1 1 57 57 ARG CB C 57 29.185 29.185 29.919 -0.733 25177 318 1 . 1 1 57 57 ARG H H 57 8.350 8.350 8.473 -0.123 25177 319 1 . 1 1 58 58 LYS N N 58 120.501 120.501 120.067 0.434 25177 320 1 . 1 1 58 58 LYS HA H 58 4.030 4.030 4.016 0.014 25177 321 1 . 1 1 58 58 LYS C C 58 179.448 179.448 178.968 0.480 25177 322 1 . 1 1 58 58 LYS CA C 58 59.578 59.578 59.690 -0.112 25177 323 1 . 1 1 58 58 LYS CB C 58 32.369 32.369 32.182 0.187 25177 324 1 . 1 1 58 58 LYS H H 58 7.989 7.989 8.046 -0.057 25177 325 1 . 1 1 59 59 GLU HA H 59 4.144 4.144 3.954 0.190 25177 326 1 . 1 1 59 59 GLU C C 59 178.877 178.877 178.905 -0.028 25177 327 1 . 1 1 59 59 GLU CA C 59 59.419 59.419 59.563 -0.144 25177 328 1 . 1 1 59 59 GLU CB C 59 29.233 29.233 29.440 -0.207 25177 329 1 . 1 1 59 59 GLU H H 59 7.891 7.891 8.155 -0.264 25177 330 1 . 1 1 60 60 ALA N N 60 122.069 122.069 121.794 0.275 25177 331 1 . 1 1 60 60 ALA HA H 60 3.936 3.936 3.981 -0.045 25177 332 1 . 1 1 60 60 ALA C C 60 178.379 178.379 179.614 -1.235 25177 333 1 . 1 1 60 60 ALA CA C 60 54.894 54.894 55.161 -0.267 25177 334 1 . 1 1 60 60 ALA CB C 60 17.528 17.528 18.121 -0.593 25177 335 1 . 1 1 60 60 ALA H H 60 8.480 8.480 8.128 0.352 25177 336 1 . 1 1 61 61 ALA N N 61 121.446 121.446 121.137 0.309 25177 337 1 . 1 1 61 61 ALA HA H 61 4.145 4.145 3.943 0.202 25177 338 1 . 1 1 61 61 ALA C C 61 178.579 178.579 179.330 -0.751 25177 339 1 . 1 1 61 61 ALA CA C 61 55.440 55.440 54.991 0.449 25177 340 1 . 1 1 61 61 ALA CB C 61 18.166 18.166 18.429 -0.263 25177 341 1 . 1 1 61 61 ALA H H 61 7.702 7.702 8.041 -0.339 25177 342 1 . 1 1 62 62 ALA N N 62 119.705 119.705 121.736 -2.031 25177 343 1 . 1 1 62 62 ALA HA H 62 4.032 4.032 4.014 0.018 25177 344 1 . 1 1 62 62 ALA C C 62 180.829 180.829 179.656 1.173 25177 345 1 . 1 1 62 62 ALA CA C 62 54.795 54.795 54.873 -0.078 25177 346 1 . 1 1 62 62 ALA CB C 62 17.672 17.672 18.443 -0.771 25177 347 1 . 1 1 62 62 ALA H H 62 7.818 7.818 7.786 0.032 25177 348 1 . 1 1 63 63 ILE N N 63 121.021 121.021 119.576 1.445 25177 349 1 . 1 1 63 63 ILE HA H 63 3.851 3.851 3.809 0.042 25177 350 1 . 1 1 63 63 ILE C C 63 178.076 178.076 177.954 0.122 25177 351 1 . 1 1 63 63 ILE CA C 63 64.688 64.688 65.466 -0.778 25177 352 1 . 1 1 63 63 ILE CB C 63 37.955 37.955 37.561 0.394 25177 353 1 . 1 1 63 63 ILE H H 63 7.876 7.876 8.139 -0.263 25177 354 1 . 1 1 64 64 ARG N N 64 121.460 121.460 120.483 0.977 25177 355 1 . 1 1 64 64 ARG HA H 64 3.891 3.891 3.871 0.020 25177 356 1 . 1 1 64 64 ARG C C 64 178.617 178.617 178.130 0.487 25177 357 1 . 1 1 64 64 ARG CA C 64 60.327 60.327 59.834 0.493 25177 358 1 . 1 1 64 64 ARG CB C 64 29.322 29.322 29.800 -0.478 25177 359 1 . 1 1 64 64 ARG H H 64 8.023 8.023 8.143 -0.120 25177 360 1 . 1 1 65 65 ASP N N 65 119.343 119.343 119.331 0.012 25177 361 1 . 1 1 65 65 ASP HA H 65 4.385 4.385 4.363 0.022 25177 362 1 . 1 1 65 65 ASP C C 65 178.827 178.827 178.768 0.059 25177 363 1 . 1 1 65 65 ASP CA C 65 57.313 57.313 57.326 -0.013 25177 364 1 . 1 1 65 65 ASP CB C 65 40.363 40.363 40.186 0.177 25177 365 1 . 1 1 65 65 ASP H H 65 8.046 8.046 8.152 -0.106 25177 366 1 . 1 1 66 66 GLU N N 66 121.291 121.291 120.007 1.284 25177 367 1 . 1 1 66 66 GLU HA H 66 4.038 4.038 3.640 0.398 25177 368 1 . 1 1 66 66 GLU C C 66 178.410 178.410 178.580 -0.170 25177 369 1 . 1 1 66 66 GLU CA C 66 58.893 58.893 59.070 -0.177 25177 370 1 . 1 1 66 66 GLU CB C 66 29.476 29.476 29.379 0.097 25177 371 1 . 1 1 66 66 GLU H H 66 7.931 7.931 7.966 -0.035 25177 372 1 . 1 1 67 67 CYS N N 67 117.825 117.825 117.653 0.172 25177 373 1 . 1 1 67 67 CYS HA H 67 4.199 4.199 4.080 0.119 25177 374 1 . 1 1 67 67 CYS C C 67 176.095 176.095 177.077 -0.982 25177 375 1 . 1 1 67 67 CYS CA C 67 61.485 61.485 63.978 -2.493 25177 376 1 . 1 1 67 67 CYS CB C 67 27.011 27.011 27.256 -0.245 25177 377 1 . 1 1 67 67 CYS H H 67 8.009 8.009 8.105 -0.096 25177 378 1 . 1 1 68 68 GLN N N 68 118.847 118.847 118.130 0.717 25177 379 1 . 1 1 68 68 GLN HA H 68 4.117 4.117 4.131 -0.014 25177 380 1 . 1 1 68 68 GLN C C 68 177.110 177.110 177.697 -0.587 25177 381 1 . 1 1 68 68 GLN CA C 68 57.454 57.454 58.398 -0.944 25177 382 1 . 1 1 68 68 GLN CB C 68 28.348 28.348 28.439 -0.091 25177 383 1 . 1 1 68 68 GLN H H 68 7.906 7.906 7.918 -0.012 25177 384 1 . 1 1 69 69 ALA N N 69 122.260 122.260 119.788 2.472 25177 385 1 . 1 1 69 69 ALA HA H 69 4.103 4.103 4.193 -0.090 25177 386 1 . 1 1 69 69 ALA C C 69 178.367 178.367 178.240 0.127 25177 387 1 . 1 1 69 69 ALA CA C 69 53.682 53.682 53.512 0.170 25177 388 1 . 1 1 69 69 ALA CB C 69 18.196 18.196 18.450 -0.254 25177 389 1 . 1 1 69 69 ALA H H 69 7.648 7.648 7.554 0.094 25177 390 1 . 1 1 70 70 TYR N N 70 117.039 117.039 117.261 -0.222 25177 391 1 . 1 1 70 70 TYR HA H 70 4.410 4.410 4.529 -0.119 25177 392 1 . 1 1 70 70 TYR C C 70 176.061 176.061 176.959 -0.898 25177 393 1 . 1 1 70 70 TYR CA C 70 58.456 58.456 58.742 -0.286 25177 394 1 . 1 1 70 70 TYR CB C 70 38.211 38.211 39.403 -1.192 25177 395 1 . 1 1 70 70 TYR H H 70 7.541 7.541 7.349 0.192 25177 396 1 . 1 1 71 71 ARG N N 71 120.503 120.503 118.073 2.430 25177 397 1 . 1 1 71 71 ARG HA H 71 4.244 4.244 4.525 -0.281 25177 398 1 . 1 1 71 71 ARG C C 71 175.759 175.759 175.722 0.037 25177 399 1 . 1 1 71 71 ARG CA C 71 56.020 56.020 56.271 -0.251 25177 400 1 . 1 1 71 71 ARG CB C 71 30.629 30.629 30.645 -0.016 25177 401 1 . 1 1 71 71 ARG H H 71 7.541 7.541 7.856 -0.315 25177 402 1 . 1 1 72 72 HIS N N 72 120.119 120.119 116.568 3.551 25177 403 1 . 1 1 72 72 HIS HA H 72 4.664 4.664 4.565 0.099 25177 404 1 . 1 1 72 72 HIS C C 72 173.738 173.738 173.350 0.388 25177 405 1 . 1 1 72 72 HIS CA C 72 55.393 55.393 56.424 -1.030 25177 406 1 . 1 1 72 72 HIS CB C 72 29.761 29.761 29.793 -0.032 25177 407 1 . 1 1 72 72 HIS H H 72 8.126 8.126 8.210 -0.084 25177 stop_ save_