data_18714 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18714 _Entry.PDB_ID 2LY9 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 18714 _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 4 4 PRO HA H 4 4.384 4.384 4.579 -0.195 18714 2 1 1 . 1 1 4 4 PRO C C 4 176.388 176.388 175.982 0.406 18714 3 1 1 . 1 1 4 4 PRO CA C 4 63.097 63.097 63.152 -0.055 18714 4 1 1 . 1 1 4 4 PRO CB C 4 32.056 32.056 32.018 0.038 18714 5 1 1 . 1 1 5 5 ASP N N 5 120.482 120.482 119.360 1.122 18714 6 1 1 . 1 1 5 5 ASP HA H 5 4.544 4.544 5.017 -0.473 18714 7 1 1 . 1 1 5 5 ASP C C 5 176.336 176.336 175.206 1.130 18714 8 1 1 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.192 0.130 18714 9 1 1 . 1 1 5 5 ASP CB C 5 41.006 41.006 42.840 -1.833 18714 10 1 1 . 1 1 5 5 ASP H H 5 8.415 8.415 7.836 0.579 18714 11 1 1 . 1 1 6 6 SER N N 6 115.481 115.481 117.438 -1.957 18714 12 1 1 . 1 1 6 6 SER HA H 6 4.326 4.326 4.442 -0.116 18714 13 1 1 . 1 1 6 6 SER C C 6 174.494 174.494 173.118 1.376 18714 14 1 1 . 1 1 6 6 SER CA C 6 58.559 58.559 57.990 0.569 18714 15 1 1 . 1 1 6 6 SER CB C 6 63.461 63.461 64.249 -0.788 18714 16 1 1 . 1 1 6 6 SER H H 6 8.146 8.146 8.569 -0.423 18714 17 1 1 . 1 1 7 7 PHE N N 7 121.475 121.475 123.308 -1.833 18714 18 1 1 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.623 -0.064 18714 19 1 1 . 1 1 7 7 PHE C C 7 176.285 176.285 175.780 0.505 18714 20 1 1 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.176 1.051 18714 21 1 1 . 1 1 7 7 PHE CB C 7 39.213 39.213 38.993 0.220 18714 22 1 1 . 1 1 7 7 PHE H H 7 8.236 8.236 7.982 0.254 18714 23 1 1 . 1 1 8 8 GLY N N 8 109.715 109.715 112.938 -3.223 18714 24 1 1 . 1 1 8 8 GLY C C 8 174.124 174.124 174.701 -0.577 18714 25 1 1 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.408 0.958 18714 26 1 1 . 1 1 8 8 GLY H H 8 8.256 8.256 8.758 -0.502 18714 27 1 1 . 1 1 9 9 ILE N N 9 120.361 120.361 127.494 -7.133 18714 28 1 1 . 1 1 9 9 ILE HA H 9 4.112 4.112 3.872 0.240 18714 29 1 1 . 1 1 9 9 ILE C C 9 176.429 176.429 176.000 0.429 18714 30 1 1 . 1 1 9 9 ILE CA C 9 61.453 61.453 62.434 -0.981 18714 31 1 1 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.267 1.119 18714 32 1 1 . 1 1 9 9 ILE H H 9 7.975 7.975 7.952 0.023 18714 33 1 1 . 1 1 10 10 ARG N N 10 124.698 124.698 121.295 3.403 18714 34 1 1 . 1 1 10 10 ARG HA H 10 4.326 4.326 3.943 0.383 18714 35 1 1 . 1 1 10 10 ARG C C 10 175.925 175.925 175.221 0.704 18714 36 1 1 . 1 1 10 10 ARG CA C 10 55.824 55.824 56.558 -0.734 18714 37 1 1 . 1 1 10 10 ARG CB C 10 30.482 30.482 27.198 3.284 18714 38 1 1 . 1 1 10 10 ARG H H 10 8.407 8.407 8.649 -0.242 18714 39 1 1 . 1 1 11 11 ALA N N 11 124.966 124.966 122.553 2.413 18714 40 1 1 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.342 -0.069 18714 41 1 1 . 1 1 11 11 ALA C C 11 177.715 177.715 177.452 0.263 18714 42 1 1 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.238 0.287 18714 43 1 1 . 1 1 11 11 ALA CB C 11 19.094 19.094 19.686 -0.592 18714 44 1 1 . 1 1 11 11 ALA H H 11 8.257 8.257 7.389 0.868 18714 45 1 1 . 1 1 12 12 LYS N N 12 120.850 120.850 123.345 -2.495 18714 46 1 1 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.300 0.025 18714 47 1 1 . 1 1 12 12 LYS C C 12 176.655 176.655 176.935 -0.280 18714 48 1 1 . 1 1 12 12 LYS CA C 12 56.114 56.114 55.723 0.391 18714 49 1 1 . 1 1 12 12 LYS CB C 12 32.985 32.985 32.998 -0.013 18714 50 1 1 . 1 1 12 12 LYS H H 12 8.217 8.217 8.368 -0.151 18714 51 1 1 . 1 1 13 13 LYS N N 13 122.258 122.258 126.357 -4.099 18714 52 1 1 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.167 0.441 18714 53 1 1 . 1 1 13 13 LYS C C 13 177.005 177.005 177.256 -0.251 18714 54 1 1 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.288 -0.413 18714 55 1 1 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.531 2.200 18714 56 1 1 . 1 1 13 13 LYS H H 13 8.317 8.317 8.526 -0.209 18714 57 1 1 . 1 1 14 14 THR N N 14 113.409 113.409 118.463 -5.054 18714 58 1 1 . 1 1 14 14 THR HA H 14 4.387 4.387 4.189 0.198 18714 59 1 1 . 1 1 14 14 THR C C 14 175.215 175.215 175.807 -0.592 18714 60 1 1 . 1 1 14 14 THR CA C 14 61.057 61.057 62.251 -1.194 18714 61 1 1 . 1 1 14 14 THR CB C 14 70.754 70.754 70.610 0.144 18714 62 1 1 . 1 1 14 14 THR H H 14 8.747 8.747 8.292 0.455 18714 63 1 1 . 1 1 15 15 LYS N N 15 120.711 120.711 122.757 -2.046 18714 64 1 1 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.959 0.004 18714 65 1 1 . 1 1 15 15 LYS C C 15 178.898 178.898 178.618 0.280 18714 66 1 1 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.855 -0.267 18714 67 1 1 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.108 -0.093 18714 68 1 1 . 1 1 15 15 LYS H H 15 8.804 8.804 8.828 -0.024 18714 69 1 1 . 1 1 16 16 GLU N N 16 119.447 119.447 117.709 1.738 18714 70 1 1 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.048 -0.005 18714 71 1 1 . 1 1 16 16 GLU C C 16 179.536 179.536 179.040 0.496 18714 72 1 1 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.341 0.770 18714 73 1 1 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.016 -0.319 18714 74 1 1 . 1 1 16 16 GLU H H 16 8.715 8.715 8.534 0.181 18714 75 1 1 . 1 1 17 17 GLN N N 17 119.610 119.610 119.199 0.411 18714 76 1 1 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.956 -0.095 18714 77 1 1 . 1 1 17 17 GLN C C 17 177.725 177.725 178.573 -0.848 18714 78 1 1 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.724 0.161 18714 79 1 1 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.723 -0.022 18714 80 1 1 . 1 1 17 17 GLN H H 17 7.811 7.811 7.466 0.345 18714 81 1 1 . 1 1 18 18 LEU N N 18 116.893 116.893 119.704 -2.811 18714 82 1 1 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.636 -0.052 18714 83 1 1 . 1 1 18 18 LEU C C 18 178.250 178.250 177.960 0.290 18714 84 1 1 . 1 1 18 18 LEU CA C 18 57.228 57.228 56.938 0.290 18714 85 1 1 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.880 -0.217 18714 86 1 1 . 1 1 18 18 LEU H H 18 8.190 8.190 8.349 -0.159 18714 87 1 1 . 1 1 19 19 ALA N N 19 120.561 120.561 121.384 -0.823 18714 88 1 1 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.990 -0.003 18714 89 1 1 . 1 1 19 19 ALA C C 19 180.071 180.071 179.656 0.415 18714 90 1 1 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.120 0.011 18714 91 1 1 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.998 -0.077 18714 92 1 1 . 1 1 19 19 ALA H H 19 8.013 8.013 7.796 0.217 18714 93 1 1 . 1 1 20 20 GLU N N 20 115.648 115.648 118.762 -3.114 18714 94 1 1 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.028 0.009 18714 95 1 1 . 1 1 20 20 GLU C C 20 179.526 179.526 179.088 0.438 18714 96 1 1 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.773 -0.828 18714 97 1 1 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.111 -0.251 18714 98 1 1 . 1 1 20 20 GLU H H 20 7.165 7.165 7.723 -0.558 18714 99 1 1 . 1 1 21 21 LEU N N 21 120.140 120.140 119.581 0.559 18714 100 1 1 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.907 -0.349 18714 101 1 1 . 1 1 21 21 LEU C C 21 177.344 177.344 178.685 -1.341 18714 102 1 1 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.259 0.652 18714 103 1 1 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.501 -2.669 18714 104 1 1 . 1 1 21 21 LEU H H 21 7.428 7.428 7.404 0.024 18714 105 1 1 . 1 1 22 22 LYS N N 22 117.352 117.352 119.455 -2.103 18714 106 1 1 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.232 -0.256 18714 107 1 1 . 1 1 22 22 LYS C C 22 178.805 178.805 179.177 -0.372 18714 108 1 1 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.655 0.627 18714 109 1 1 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.267 -0.093 18714 110 1 1 . 1 1 22 22 LYS H H 22 8.021 8.021 7.309 0.712 18714 111 1 1 . 1 1 23 23 VAL N N 23 117.470 117.470 119.614 -2.144 18714 112 1 1 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.751 -0.054 18714 113 1 1 . 1 1 23 23 VAL C C 23 178.291 178.291 178.120 0.171 18714 114 1 1 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.496 -0.075 18714 115 1 1 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.791 0.919 18714 116 1 1 . 1 1 23 23 VAL H H 23 7.618 7.618 7.886 -0.268 18714 117 1 1 . 1 1 24 24 SER N N 24 113.371 113.371 115.695 -2.324 18714 118 1 1 . 1 1 24 24 SER HA H 24 4.247 4.247 4.266 -0.019 18714 119 1 1 . 1 1 24 24 SER C C 24 177.015 177.015 177.056 -0.041 18714 120 1 1 . 1 1 24 24 SER CA C 24 61.550 61.550 62.051 -0.501 18714 121 1 1 . 1 1 24 24 SER CB C 24 62.987 62.987 63.228 -0.241 18714 122 1 1 . 1 1 24 24 SER H H 24 7.340 7.340 7.799 -0.459 18714 123 1 1 . 1 1 25 25 TYR N N 25 120.532 120.532 123.314 -2.782 18714 124 1 1 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.828 -0.576 18714 125 1 1 . 1 1 25 25 TYR C C 25 176.470 176.470 177.735 -1.265 18714 126 1 1 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.605 0.190 18714 127 1 1 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.990 -0.379 18714 128 1 1 . 1 1 25 25 TYR H H 25 8.888 8.888 7.980 0.908 18714 129 1 1 . 1 1 26 26 LEU N N 26 115.079 115.079 117.334 -2.255 18714 130 1 1 . 1 1 26 26 LEU HA H 26 4.035 4.035 4.058 -0.023 18714 131 1 1 . 1 1 26 26 LEU C C 26 179.021 179.021 178.702 0.319 18714 132 1 1 . 1 1 26 26 LEU CA C 26 56.850 56.850 57.191 -0.341 18714 133 1 1 . 1 1 26 26 LEU CB C 26 41.983 41.983 42.236 -0.253 18714 134 1 1 . 1 1 26 26 LEU H H 26 7.953 7.953 8.164 -0.211 18714 135 1 1 . 1 1 27 27 LYS N N 27 119.058 119.058 117.640 1.418 18714 136 1 1 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.160 0.009 18714 137 1 1 . 1 1 27 27 LYS C C 27 177.375 177.375 176.830 0.545 18714 138 1 1 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.877 0.624 18714 139 1 1 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.220 -0.587 18714 140 1 1 . 1 1 27 27 LYS H H 27 7.503 7.503 7.946 -0.443 18714 141 1 1 . 1 1 28 28 ASN N N 28 116.296 116.296 114.959 1.337 18714 142 1 1 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.928 -0.407 18714 143 1 1 . 1 1 28 28 ASN C C 28 174.134 174.134 174.659 -0.525 18714 144 1 1 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.820 0.885 18714 145 1 1 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.508 -1.141 18714 146 1 1 . 1 1 28 28 ASN H H 28 8.163 8.163 7.837 0.326 18714 147 1 1 . 1 1 29 29 GLN N N 29 123.819 123.819 119.807 4.012 18714 148 1 1 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.632 0.218 18714 149 1 1 . 1 1 29 29 GLN C C 29 173.785 173.785 174.257 -0.472 18714 150 1 1 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.297 0.305 18714 151 1 1 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.702 -0.472 18714 152 1 1 . 1 1 29 29 GLN H H 29 8.560 8.560 8.631 -0.071 18714 153 1 1 . 1 1 30 30 PHE N N 30 116.997 116.997 117.876 -0.879 18714 154 1 1 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.816 -0.074 18714 155 1 1 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.676 -1.206 18714 156 1 1 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.977 -0.841 18714 157 1 1 . 1 1 30 30 PHE H H 30 8.014 8.014 7.721 0.293 18714 158 1 1 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.776 -0.797 18714 159 1 1 . 1 1 31 31 PRO C C 31 177.285 177.285 176.365 0.920 18714 160 1 1 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.210 0.054 18714 161 1 1 . 1 1 31 31 PRO CB C 31 30.777 30.777 31.871 -1.094 18714 162 1 1 . 1 1 32 32 HIS N N 32 120.779 120.779 124.367 -3.588 18714 163 1 1 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.441 0.134 18714 164 1 1 . 1 1 32 32 HIS C C 32 176.601 176.601 176.204 0.397 18714 165 1 1 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.400 -0.984 18714 166 1 1 . 1 1 32 32 HIS CB C 32 31.396 31.396 32.385 -0.989 18714 167 1 1 . 1 1 32 32 HIS H H 32 8.401 8.401 8.542 -0.141 18714 168 1 1 . 1 1 33 33 ASP N N 33 124.390 124.390 124.961 -0.571 18714 169 1 1 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.276 -0.000 18714 170 1 1 . 1 1 33 33 ASP C C 33 178.064 178.064 177.558 0.506 18714 171 1 1 . 1 1 33 33 ASP CA C 33 58.486 58.486 57.806 0.680 18714 172 1 1 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.874 -0.423 18714 173 1 1 . 1 1 33 33 ASP H H 33 8.691 8.691 8.328 0.363 18714 174 1 1 . 1 1 34 34 SER N N 34 114.256 114.256 115.181 -0.925 18714 175 1 1 . 1 1 34 34 SER HA H 34 4.109 4.109 4.276 -0.167 18714 176 1 1 . 1 1 34 34 SER C C 34 176.645 176.645 176.879 -0.234 18714 177 1 1 . 1 1 34 34 SER CA C 34 60.282 60.282 61.588 -1.306 18714 178 1 1 . 1 1 34 34 SER CB C 34 61.931 61.931 62.916 -0.985 18714 179 1 1 . 1 1 34 34 SER H H 34 9.494 9.494 8.117 1.377 18714 180 1 1 . 1 1 35 35 GLU N N 35 126.075 126.075 122.558 3.517 18714 181 1 1 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.177 0.726 18714 182 1 1 . 1 1 35 35 GLU C C 35 177.715 177.715 178.786 -1.071 18714 183 1 1 . 1 1 35 35 GLU CA C 35 56.884 56.884 58.799 -1.915 18714 184 1 1 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.195 -0.674 18714 185 1 1 . 1 1 35 35 GLU H H 35 7.493 7.493 8.157 -0.664 18714 186 1 1 . 1 1 36 36 ILE N N 36 120.906 120.906 120.408 0.498 18714 187 1 1 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.715 -0.112 18714 188 1 1 . 1 1 36 36 ILE C C 36 177.725 177.725 178.155 -0.430 18714 189 1 1 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.457 -0.512 18714 190 1 1 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.927 -2.054 18714 191 1 1 . 1 1 36 36 ILE H H 36 7.697 7.697 7.670 0.027 18714 192 1 1 . 1 1 37 37 ILE N N 37 119.451 119.451 119.905 -0.454 18714 193 1 1 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.721 0.238 18714 194 1 1 . 1 1 37 37 ILE C C 37 178.085 178.085 178.198 -0.113 18714 195 1 1 . 1 1 37 37 ILE CA C 37 64.734 64.734 65.016 -0.282 18714 196 1 1 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.499 0.282 18714 197 1 1 . 1 1 37 37 ILE H H 37 8.229 8.229 8.100 0.129 18714 198 1 1 . 1 1 38 38 ARG N N 38 122.344 122.344 120.514 1.830 18714 199 1 1 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.034 -0.066 18714 200 1 1 . 1 1 38 38 ARG C C 38 179.165 179.165 178.627 0.538 18714 201 1 1 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.647 0.274 18714 202 1 1 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.000 0.663 18714 203 1 1 . 1 1 38 38 ARG H H 38 7.664 7.664 7.689 -0.025 18714 204 1 1 . 1 1 39 39 LEU N N 39 117.479 117.479 119.807 -2.328 18714 205 1 1 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.939 0.087 18714 206 1 1 . 1 1 39 39 LEU C C 39 181.316 181.316 178.969 2.347 18714 207 1 1 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.897 -0.317 18714 208 1 1 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.835 1.549 18714 209 1 1 . 1 1 39 39 LEU H H 39 8.629 8.629 7.959 0.670 18714 210 1 1 . 1 1 40 40 MET N N 40 126.468 126.468 117.390 9.078 18714 211 1 1 . 1 1 40 40 MET HA H 40 3.957 3.957 4.032 -0.075 18714 212 1 1 . 1 1 40 40 MET C C 40 178.466 178.466 178.374 0.092 18714 213 1 1 . 1 1 40 40 MET CA C 40 60.109 60.109 59.090 1.018 18714 214 1 1 . 1 1 40 40 MET CB C 40 34.065 34.065 32.190 1.875 18714 215 1 1 . 1 1 40 40 MET H H 40 9.112 9.112 8.046 1.066 18714 216 1 1 . 1 1 41 41 LYS N N 41 119.282 119.282 118.552 0.730 18714 217 1 1 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.079 -0.039 18714 218 1 1 . 1 1 41 41 LYS C C 41 178.805 178.805 179.004 -0.199 18714 219 1 1 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.475 0.740 18714 220 1 1 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.133 -0.006 18714 221 1 1 . 1 1 41 41 LYS H H 41 7.721 7.721 7.597 0.124 18714 222 1 1 . 1 1 42 42 ILE N N 42 114.582 114.582 117.666 -3.084 18714 223 1 1 . 1 1 42 42 ILE HA H 42 4.150 4.150 3.959 0.191 18714 224 1 1 . 1 1 42 42 ILE C C 42 177.365 177.365 178.198 -0.833 18714 225 1 1 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.314 -0.597 18714 226 1 1 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.662 1.168 18714 227 1 1 . 1 1 42 42 ILE H H 42 7.804 7.804 7.961 -0.157 18714 228 1 1 . 1 1 43 43 THR N N 43 107.511 107.511 110.846 -3.335 18714 229 1 1 . 1 1 43 43 THR HA H 43 4.536 4.536 4.232 0.304 18714 230 1 1 . 1 1 43 43 THR C C 43 176.120 176.120 175.844 0.276 18714 231 1 1 . 1 1 43 43 THR CA C 43 63.136 63.136 63.499 -0.363 18714 232 1 1 . 1 1 43 43 THR CB C 43 72.060 72.060 69.844 2.216 18714 233 1 1 . 1 1 43 43 THR H H 43 8.313 8.313 8.202 0.111 18714 234 1 1 . 1 1 44 44 GLY N N 44 111.235 111.235 109.905 1.330 18714 235 1 1 . 1 1 44 44 GLY C C 44 174.134 174.134 174.142 -0.008 18714 236 1 1 . 1 1 44 44 GLY CA C 44 45.805 45.805 45.116 0.689 18714 237 1 1 . 1 1 44 44 GLY H H 44 8.055 8.055 7.735 0.320 18714 238 1 1 . 1 1 45 45 LEU N N 45 120.586 120.586 119.010 1.576 18714 239 1 1 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.427 0.078 18714 240 1 1 . 1 1 45 45 LEU C C 45 176.634 176.634 176.494 0.140 18714 241 1 1 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.132 -0.374 18714 242 1 1 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.957 0.349 18714 243 1 1 . 1 1 45 45 LEU H H 45 7.708 7.708 7.547 0.161 18714 244 1 1 . 1 1 46 46 THR N N 46 109.308 109.308 107.739 1.569 18714 245 1 1 . 1 1 46 46 THR HA H 46 4.325 4.325 4.451 -0.126 18714 246 1 1 . 1 1 46 46 THR C C 46 175.215 175.215 175.165 0.050 18714 247 1 1 . 1 1 46 46 THR CA C 46 60.914 60.914 60.361 0.553 18714 248 1 1 . 1 1 46 46 THR CB C 46 71.237 71.237 70.555 0.682 18714 249 1 1 . 1 1 46 46 THR H H 46 8.570 8.570 7.967 0.603 18714 250 1 1 . 1 1 47 47 LYS N N 47 121.342 121.342 123.966 -2.624 18714 251 1 1 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.980 -0.295 18714 252 1 1 . 1 1 47 47 LYS C C 47 178.805 178.805 178.481 0.324 18714 253 1 1 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.546 1.246 18714 254 1 1 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.054 0.280 18714 255 1 1 . 1 1 47 47 LYS H H 47 8.797 8.797 8.959 -0.162 18714 256 1 1 . 1 1 48 48 GLY N N 48 104.143 104.143 107.464 -3.321 18714 257 1 1 . 1 1 48 48 GLY C C 48 177.149 177.149 176.540 0.609 18714 258 1 1 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.868 0.021 18714 259 1 1 . 1 1 48 48 GLY H H 48 8.715 8.715 8.398 0.317 18714 260 1 1 . 1 1 49 49 GLU N N 49 121.943 121.943 122.131 -0.188 18714 261 1 1 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.129 -0.039 18714 262 1 1 . 1 1 49 49 GLU C C 49 179.886 179.886 179.337 0.549 18714 263 1 1 . 1 1 49 49 GLU CA C 49 59.183 59.183 58.856 0.327 18714 264 1 1 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.276 1.414 18714 265 1 1 . 1 1 49 49 GLU H H 49 7.851 7.851 7.819 0.032 18714 266 1 1 . 1 1 50 50 ILE N N 50 121.748 121.748 120.996 0.752 18714 267 1 1 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.841 -0.081 18714 268 1 1 . 1 1 50 50 ILE C C 50 177.735 177.735 178.092 -0.357 18714 269 1 1 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.507 0.611 18714 270 1 1 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.876 0.236 18714 271 1 1 . 1 1 50 50 ILE H H 50 8.224 8.224 7.825 0.399 18714 272 1 1 . 1 1 51 51 LYS N N 51 119.119 119.119 119.373 -0.254 18714 273 1 1 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.133 -0.072 18714 274 1 1 . 1 1 51 51 LYS C C 51 179.526 179.526 178.996 0.530 18714 275 1 1 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.070 2.050 18714 276 1 1 . 1 1 51 51 LYS CB C 51 31.896 31.896 31.850 0.046 18714 277 1 1 . 1 1 51 51 LYS H H 51 8.842 8.842 8.070 0.772 18714 278 1 1 . 1 1 52 52 LYS N N 52 120.252 120.252 119.959 0.293 18714 279 1 1 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.043 0.151 18714 280 1 1 . 1 1 52 52 LYS C C 52 176.830 176.830 178.712 -1.882 18714 281 1 1 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.701 -0.951 18714 282 1 1 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.363 0.024 18714 283 1 1 . 1 1 52 52 LYS H H 52 8.208 8.208 7.939 0.269 18714 284 1 1 . 1 1 53 53 TRP N N 53 120.333 120.333 121.842 -1.509 18714 285 1 1 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.430 -0.241 18714 286 1 1 . 1 1 53 53 TRP C C 53 180.266 180.266 178.651 1.615 18714 287 1 1 . 1 1 53 53 TRP CA C 53 62.719 62.719 60.819 1.900 18714 288 1 1 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.374 -1.220 18714 289 1 1 . 1 1 53 53 TRP H H 53 8.132 8.132 7.857 0.275 18714 290 1 1 . 1 1 54 54 PHE N N 54 120.742 120.742 116.565 4.177 18714 291 1 1 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.936 -0.222 18714 292 1 1 . 1 1 54 54 PHE C C 54 177.488 177.488 177.859 -0.371 18714 293 1 1 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.048 1.845 18714 294 1 1 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.495 0.907 18714 295 1 1 . 1 1 54 54 PHE H H 54 8.903 8.903 8.448 0.455 18714 296 1 1 . 1 1 55 55 SER N N 55 113.136 113.136 115.375 -2.239 18714 297 1 1 . 1 1 55 55 SER HA H 55 4.063 4.063 4.199 -0.136 18714 298 1 1 . 1 1 55 55 SER C C 55 177.571 177.571 176.408 1.163 18714 299 1 1 . 1 1 55 55 SER CA C 55 62.419 62.419 62.390 0.029 18714 300 1 1 . 1 1 55 55 SER CB C 55 62.673 62.673 62.737 -0.064 18714 301 1 1 . 1 1 55 55 SER H H 55 8.136 8.136 7.841 0.295 18714 302 1 1 . 1 1 56 56 ASP N N 56 122.871 122.871 122.087 0.784 18714 303 1 1 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.416 -0.118 18714 304 1 1 . 1 1 56 56 ASP C C 56 178.085 178.085 178.253 -0.168 18714 305 1 1 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.219 -0.256 18714 306 1 1 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.468 -0.747 18714 307 1 1 . 1 1 56 56 ASP H H 56 9.091 9.091 7.647 1.444 18714 308 1 1 . 1 1 57 57 THR N N 57 118.957 118.957 115.978 2.979 18714 309 1 1 . 1 1 57 57 THR HA H 57 3.335 3.335 3.650 -0.315 18714 310 1 1 . 1 1 57 57 THR C C 57 175.925 175.925 176.129 -0.204 18714 311 1 1 . 1 1 57 57 THR CA C 57 67.064 67.064 65.515 1.549 18714 312 1 1 . 1 1 57 57 THR CB C 57 67.387 67.387 67.638 -0.251 18714 313 1 1 . 1 1 57 57 THR H H 57 7.926 7.926 7.800 0.126 18714 314 1 1 . 1 1 58 58 ARG N N 58 120.980 120.980 121.732 -0.752 18714 315 1 1 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.263 -0.062 18714 316 1 1 . 1 1 58 58 ARG C C 58 179.536 179.536 178.146 1.390 18714 317 1 1 . 1 1 58 58 ARG CA C 58 59.976 59.976 58.191 1.785 18714 318 1 1 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.602 1.792 18714 319 1 1 . 1 1 58 58 ARG H H 58 8.139 8.139 7.700 0.439 18714 320 1 1 . 1 1 59 59 TYR N N 59 119.449 119.449 118.918 0.531 18714 321 1 1 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.358 -0.214 18714 322 1 1 . 1 1 59 59 TYR C C 59 178.075 178.075 177.473 0.602 18714 323 1 1 . 1 1 59 59 TYR CA C 59 61.320 61.320 60.443 0.877 18714 324 1 1 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.753 -0.751 18714 325 1 1 . 1 1 59 59 TYR H H 59 8.004 8.004 7.596 0.408 18714 326 1 1 . 1 1 60 60 ASN N N 60 118.169 118.169 117.874 0.295 18714 327 1 1 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.211 0.143 18714 328 1 1 . 1 1 60 60 ASN C C 60 177.005 177.005 177.676 -0.671 18714 329 1 1 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.721 -0.561 18714 330 1 1 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.221 0.071 18714 331 1 1 . 1 1 60 60 ASN H H 60 8.354 8.354 8.067 0.287 18714 332 1 1 . 1 1 61 61 GLN N N 61 118.671 118.671 118.599 0.072 18714 333 1 1 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.052 0.089 18714 334 1 1 . 1 1 61 61 GLN C C 61 177.046 177.046 176.657 0.389 18714 335 1 1 . 1 1 61 61 GLN CA C 61 57.217 57.217 57.862 -0.645 18714 336 1 1 . 1 1 61 61 GLN CB C 61 28.466 28.466 29.206 -0.740 18714 337 1 1 . 1 1 61 61 GLN H H 61 7.971 7.971 7.775 0.196 18714 338 1 1 . 1 1 62 62 ARG N N 62 119.140 119.140 118.044 1.096 18714 339 1 1 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.519 -0.330 18714 340 1 1 . 1 1 62 62 ARG C C 62 176.655 176.655 175.658 0.997 18714 341 1 1 . 1 1 62 62 ARG CA C 62 57.462 57.462 54.599 2.863 18714 342 1 1 . 1 1 62 62 ARG CB C 62 29.896 29.896 29.225 0.671 18714 343 1 1 . 1 1 62 62 ARG H H 62 7.690 7.690 7.468 0.222 18714 344 1 1 . 1 1 63 63 ASN N N 63 117.472 117.472 119.654 -2.182 18714 345 1 1 . 1 1 63 63 ASN HA H 63 4.734 4.734 3.934 0.800 18714 346 1 1 . 1 1 63 63 ASN C C 63 175.194 175.194 176.798 -1.604 18714 347 1 1 . 1 1 63 63 ASN CA C 63 53.141 53.141 56.368 -3.227 18714 348 1 1 . 1 1 63 63 ASN CB C 63 38.875 38.875 37.552 1.323 18714 349 1 1 . 1 1 63 63 ASN H H 63 8.003 8.003 7.715 0.288 18714 350 1 1 . 1 1 64 64 SER N N 64 115.768 115.768 116.209 -0.441 18714 351 1 1 . 1 1 64 64 SER HA H 64 4.402 4.402 4.272 0.130 18714 352 1 1 . 1 1 64 64 SER C C 64 174.721 174.721 175.784 -1.063 18714 353 1 1 . 1 1 64 64 SER CA C 64 58.758 58.758 60.437 -1.679 18714 354 1 1 . 1 1 64 64 SER CB C 64 63.620 63.620 63.150 0.470 18714 355 1 1 . 1 1 64 64 SER H H 64 7.942 7.942 8.502 -0.560 18714 356 1 1 . 1 1 65 65 LYS N N 65 122.579 122.579 119.883 2.696 18714 357 1 1 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.239 0.071 18714 358 1 1 . 1 1 65 65 LYS C C 65 176.665 176.665 177.812 -1.147 18714 359 1 1 . 1 1 65 65 LYS CA C 65 56.366 56.366 57.860 -1.494 18714 360 1 1 . 1 1 65 65 LYS CB C 65 33.054 33.054 32.664 0.390 18714 361 1 1 . 1 1 65 65 LYS H H 65 8.319 8.319 8.095 0.224 18714 362 1 1 . 1 1 66 66 SER N N 66 115.560 115.560 111.450 4.110 18714 363 1 1 . 1 1 66 66 SER HA H 66 4.425 4.425 4.106 0.319 18714 364 1 1 . 1 1 66 66 SER CA C 66 58.577 58.577 61.648 -3.071 18714 365 1 1 . 1 1 66 66 SER CB C 66 63.670 63.670 61.324 2.346 18714 366 1 1 . 1 1 66 66 SER H H 66 8.184 8.184 8.607 -0.423 18714 367 1 1 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.760 -0.057 18714 368 1 1 . 1 1 67 67 ASN C C 67 175.196 175.196 175.710 -0.514 18714 369 1 1 . 1 1 67 67 ASN CA C 67 53.417 53.417 54.943 -1.526 18714 370 1 1 . 1 1 67 67 ASN CB C 67 38.593 38.593 39.396 -0.803 18714 371 1 1 . 1 1 68 68 GLN N N 68 120.106 120.106 119.093 1.013 18714 372 1 1 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.720 -0.417 18714 373 1 1 . 1 1 68 68 GLN C C 68 175.708 175.708 174.754 0.954 18714 374 1 1 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.019 1.153 18714 375 1 1 . 1 1 68 68 GLN CB C 68 29.172 29.172 30.520 -1.348 18714 376 1 1 . 1 1 68 68 GLN H H 68 8.283 8.283 8.261 0.022 18714 377 1 1 . 1 1 69 69 CYS N N 69 119.599 119.599 118.627 0.972 18714 378 1 1 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.811 -0.407 18714 379 1 1 . 1 1 69 69 CYS C C 69 174.412 174.412 174.304 0.108 18714 380 1 1 . 1 1 69 69 CYS CA C 69 58.693 58.693 58.037 0.656 18714 381 1 1 . 1 1 69 69 CYS CB C 69 27.610 27.610 30.704 -3.094 18714 382 1 1 . 1 1 69 69 CYS H H 69 8.313 8.313 8.521 -0.208 18714 383 1 1 . 1 1 70 70 LEU N N 70 123.832 123.832 119.974 3.858 18714 384 1 1 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.452 -0.185 18714 385 1 1 . 1 1 70 70 LEU C C 70 176.645 176.645 177.127 -0.482 18714 386 1 1 . 1 1 70 70 LEU CA C 70 55.283 55.283 55.484 -0.201 18714 387 1 1 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.433 -0.174 18714 388 1 1 . 1 1 70 70 LEU H H 70 8.201 8.201 8.364 -0.163 18714 389 1 1 . 1 1 71 71 HIS N N 71 119.423 119.423 116.836 2.587 18714 390 1 1 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.255 0.393 18714 391 1 1 . 1 1 71 71 HIS C C 71 174.494 174.494 174.220 0.274 18714 392 1 1 . 1 1 71 71 HIS CA C 71 55.424 55.424 56.256 -0.832 18714 393 1 1 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.030 0.657 18714 394 1 1 . 1 1 71 71 HIS H H 71 8.308 8.308 8.479 -0.171 18714 395 1 1 . 1 1 72 72 LEU N N 72 122.990 122.990 120.616 2.374 18714 396 1 1 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.319 0.014 18714 397 1 1 . 1 1 72 72 LEU C C 72 176.645 176.645 176.589 0.056 18714 398 1 1 . 1 1 72 72 LEU CA C 72 54.981 54.981 55.242 -0.261 18714 399 1 1 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.477 -0.296 18714 400 1 1 . 1 1 72 72 LEU H H 72 8.146 8.146 8.127 0.019 18714 401 1 1 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.642 0.091 18714 402 1 1 . 1 1 73 73 ASN C C 73 173.774 173.774 174.596 -0.822 18714 403 1 1 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.696 -0.663 18714 404 1 1 . 1 1 73 73 ASN CB C 73 38.928 38.928 39.010 -0.082 18714 405 1 1 . 1 1 73 73 ASN H H 73 8.428 8.428 8.645 -0.217 18714 406 1 2 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.489 -0.105 18714 407 1 2 . 1 1 4 4 PRO C C 4 176.388 176.388 176.786 -0.398 18714 408 1 2 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.656 0.441 18714 409 1 2 . 1 1 4 4 PRO CB C 4 32.056 32.056 32.059 -0.004 18714 410 1 2 . 1 1 5 5 ASP N N 5 120.482 120.482 125.888 -5.406 18714 411 1 2 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.242 0.302 18714 412 1 2 . 1 1 5 5 ASP C C 5 176.336 176.336 175.159 1.177 18714 413 1 2 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.686 -0.364 18714 414 1 2 . 1 1 5 5 ASP CB C 5 41.006 41.006 39.904 1.102 18714 415 1 2 . 1 1 5 5 ASP H H 5 8.415 8.415 8.642 -0.227 18714 416 1 2 . 1 1 6 6 SER N N 6 115.481 115.481 118.516 -3.035 18714 417 1 2 . 1 1 6 6 SER HA H 6 4.326 4.326 4.438 -0.112 18714 418 1 2 . 1 1 6 6 SER C C 6 174.494 174.494 173.058 1.436 18714 419 1 2 . 1 1 6 6 SER CA C 6 58.559 58.559 57.959 0.600 18714 420 1 2 . 1 1 6 6 SER CB C 6 63.461 63.461 62.373 1.088 18714 421 1 2 . 1 1 6 6 SER H H 6 8.146 8.146 7.495 0.651 18714 422 1 2 . 1 1 7 7 PHE N N 7 121.475 121.475 122.741 -1.266 18714 423 1 2 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.653 -0.094 18714 424 1 2 . 1 1 7 7 PHE C C 7 176.285 176.285 176.139 0.146 18714 425 1 2 . 1 1 7 7 PHE CA C 7 58.227 58.227 56.922 1.305 18714 426 1 2 . 1 1 7 7 PHE CB C 7 39.213 39.213 40.306 -1.093 18714 427 1 2 . 1 1 7 7 PHE H H 7 8.236 8.236 7.440 0.796 18714 428 1 2 . 1 1 8 8 GLY N N 8 109.715 109.715 112.233 -2.518 18714 429 1 2 . 1 1 8 8 GLY C C 8 174.124 174.124 174.210 -0.086 18714 430 1 2 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.166 1.200 18714 431 1 2 . 1 1 8 8 GLY H H 8 8.256 8.256 8.404 -0.148 18714 432 1 2 . 1 1 9 9 ILE N N 9 120.361 120.361 121.601 -1.240 18714 433 1 2 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.137 -0.025 18714 434 1 2 . 1 1 9 9 ILE C C 9 176.429 176.429 176.680 -0.251 18714 435 1 2 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.882 -0.429 18714 436 1 2 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.468 0.918 18714 437 1 2 . 1 1 9 9 ILE H H 9 7.975 7.975 8.337 -0.362 18714 438 1 2 . 1 1 10 10 ARG N N 10 124.698 124.698 127.584 -2.886 18714 439 1 2 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.451 -0.125 18714 440 1 2 . 1 1 10 10 ARG C C 10 175.925 175.925 175.852 0.073 18714 441 1 2 . 1 1 10 10 ARG CA C 10 55.824 55.824 55.485 0.339 18714 442 1 2 . 1 1 10 10 ARG CB C 10 30.482 30.482 30.570 -0.088 18714 443 1 2 . 1 1 10 10 ARG H H 10 8.407 8.407 8.699 -0.292 18714 444 1 2 . 1 1 11 11 ALA N N 11 124.966 124.966 124.565 0.401 18714 445 1 2 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.045 0.228 18714 446 1 2 . 1 1 11 11 ALA C C 11 177.715 177.715 175.744 1.971 18714 447 1 2 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.685 -0.160 18714 448 1 2 . 1 1 11 11 ALA CB C 11 19.094 19.094 18.290 0.804 18714 449 1 2 . 1 1 11 11 ALA H H 11 8.257 8.257 8.169 0.088 18714 450 1 2 . 1 1 12 12 LYS N N 12 120.850 120.850 120.787 0.063 18714 451 1 2 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.452 -0.127 18714 452 1 2 . 1 1 12 12 LYS C C 12 176.655 176.655 175.445 1.210 18714 453 1 2 . 1 1 12 12 LYS CA C 12 56.114 56.114 55.546 0.568 18714 454 1 2 . 1 1 12 12 LYS CB C 12 32.985 32.985 34.496 -1.511 18714 455 1 2 . 1 1 12 12 LYS H H 12 8.217 8.217 8.203 0.014 18714 456 1 2 . 1 1 13 13 LYS N N 13 122.258 122.258 125.936 -3.678 18714 457 1 2 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.509 0.099 18714 458 1 2 . 1 1 13 13 LYS C C 13 177.005 177.005 177.147 -0.142 18714 459 1 2 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.457 -0.582 18714 460 1 2 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.239 2.492 18714 461 1 2 . 1 1 13 13 LYS H H 13 8.317 8.317 8.459 -0.142 18714 462 1 2 . 1 1 14 14 THR N N 14 113.409 113.409 117.775 -4.366 18714 463 1 2 . 1 1 14 14 THR HA H 14 4.387 4.387 4.356 0.031 18714 464 1 2 . 1 1 14 14 THR C C 14 175.215 175.215 175.685 -0.470 18714 465 1 2 . 1 1 14 14 THR CA C 14 61.057 61.057 61.790 -0.733 18714 466 1 2 . 1 1 14 14 THR CB C 14 70.754 70.754 70.617 0.137 18714 467 1 2 . 1 1 14 14 THR H H 14 8.747 8.747 8.590 0.157 18714 468 1 2 . 1 1 15 15 LYS N N 15 120.711 120.711 120.611 0.100 18714 469 1 2 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.993 -0.030 18714 470 1 2 . 1 1 15 15 LYS C C 15 178.898 178.898 179.090 -0.192 18714 471 1 2 . 1 1 15 15 LYS CA C 15 59.587 59.587 60.272 -0.685 18714 472 1 2 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.208 -0.192 18714 473 1 2 . 1 1 15 15 LYS H H 15 8.804 8.804 8.632 0.172 18714 474 1 2 . 1 1 16 16 GLU N N 16 119.447 119.447 118.762 0.685 18714 475 1 2 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.012 0.031 18714 476 1 2 . 1 1 16 16 GLU C C 16 179.536 179.536 178.879 0.657 18714 477 1 2 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.149 0.962 18714 478 1 2 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.358 -0.661 18714 479 1 2 . 1 1 16 16 GLU H H 16 8.715 8.715 8.114 0.601 18714 480 1 2 . 1 1 17 17 GLN N N 17 119.610 119.610 119.194 0.416 18714 481 1 2 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.975 -0.114 18714 482 1 2 . 1 1 17 17 GLN C C 17 177.725 177.725 178.212 -0.487 18714 483 1 2 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.604 0.281 18714 484 1 2 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.963 -0.262 18714 485 1 2 . 1 1 17 17 GLN H H 17 7.811 7.811 7.622 0.189 18714 486 1 2 . 1 1 18 18 LEU N N 18 116.893 116.893 120.136 -3.243 18714 487 1 2 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.572 0.012 18714 488 1 2 . 1 1 18 18 LEU C C 18 178.250 178.250 177.951 0.299 18714 489 1 2 . 1 1 18 18 LEU CA C 18 57.228 57.228 56.908 0.320 18714 490 1 2 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.883 -0.220 18714 491 1 2 . 1 1 18 18 LEU H H 18 8.190 8.190 8.295 -0.105 18714 492 1 2 . 1 1 19 19 ALA N N 19 120.561 120.561 121.219 -0.658 18714 493 1 2 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.895 0.092 18714 494 1 2 . 1 1 19 19 ALA C C 19 180.071 180.071 179.446 0.625 18714 495 1 2 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.701 -0.570 18714 496 1 2 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.727 0.194 18714 497 1 2 . 1 1 19 19 ALA H H 19 8.013 8.013 7.759 0.254 18714 498 1 2 . 1 1 20 20 GLU N N 20 115.648 115.648 118.240 -2.592 18714 499 1 2 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.055 -0.018 18714 500 1 2 . 1 1 20 20 GLU C C 20 179.526 179.526 179.080 0.446 18714 501 1 2 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.903 -0.959 18714 502 1 2 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.020 -0.160 18714 503 1 2 . 1 1 20 20 GLU H H 20 7.165 7.165 7.892 -0.727 18714 504 1 2 . 1 1 21 21 LEU N N 21 120.140 120.140 119.831 0.309 18714 505 1 2 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.917 -0.359 18714 506 1 2 . 1 1 21 21 LEU C C 21 177.344 177.344 178.851 -1.507 18714 507 1 2 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.108 0.803 18714 508 1 2 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.348 -2.516 18714 509 1 2 . 1 1 21 21 LEU H H 21 7.428 7.428 7.296 0.132 18714 510 1 2 . 1 1 22 22 LYS N N 22 117.352 117.352 120.037 -2.685 18714 511 1 2 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.217 -0.241 18714 512 1 2 . 1 1 22 22 LYS C C 22 178.805 178.805 179.371 -0.566 18714 513 1 2 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.075 1.207 18714 514 1 2 . 1 1 22 22 LYS CB C 22 32.174 32.174 31.985 0.189 18714 515 1 2 . 1 1 22 22 LYS H H 22 8.021 8.021 7.640 0.381 18714 516 1 2 . 1 1 23 23 VAL N N 23 117.470 117.470 119.352 -1.882 18714 517 1 2 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.814 -0.117 18714 518 1 2 . 1 1 23 23 VAL C C 23 178.291 178.291 178.271 0.020 18714 519 1 2 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.586 -0.165 18714 520 1 2 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.878 0.832 18714 521 1 2 . 1 1 23 23 VAL H H 23 7.618 7.618 7.840 -0.222 18714 522 1 2 . 1 1 24 24 SER N N 24 113.371 113.371 115.162 -1.791 18714 523 1 2 . 1 1 24 24 SER HA H 24 4.247 4.247 4.287 -0.040 18714 524 1 2 . 1 1 24 24 SER C C 24 177.015 177.015 176.859 0.156 18714 525 1 2 . 1 1 24 24 SER CA C 24 61.550 61.550 61.520 0.030 18714 526 1 2 . 1 1 24 24 SER CB C 24 62.987 62.987 62.979 0.008 18714 527 1 2 . 1 1 24 24 SER H H 24 7.340 7.340 7.933 -0.593 18714 528 1 2 . 1 1 25 25 TYR N N 25 120.532 120.532 123.095 -2.563 18714 529 1 2 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.946 -0.694 18714 530 1 2 . 1 1 25 25 TYR C C 25 176.470 176.470 177.255 -0.785 18714 531 1 2 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.321 0.474 18714 532 1 2 . 1 1 25 25 TYR CB C 25 38.611 38.611 39.102 -0.491 18714 533 1 2 . 1 1 25 25 TYR H H 25 8.888 8.888 8.033 0.855 18714 534 1 2 . 1 1 26 26 LEU N N 26 115.079 115.079 117.930 -2.851 18714 535 1 2 . 1 1 26 26 LEU HA H 26 4.035 4.035 4.038 -0.003 18714 536 1 2 . 1 1 26 26 LEU C C 26 179.021 179.021 178.712 0.309 18714 537 1 2 . 1 1 26 26 LEU CA C 26 56.850 56.850 57.193 -0.343 18714 538 1 2 . 1 1 26 26 LEU CB C 26 41.983 41.983 42.253 -0.270 18714 539 1 2 . 1 1 26 26 LEU H H 26 7.953 7.953 7.911 0.042 18714 540 1 2 . 1 1 27 27 LYS N N 27 119.058 119.058 116.207 2.851 18714 541 1 2 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.108 0.061 18714 542 1 2 . 1 1 27 27 LYS C C 27 177.375 177.375 176.948 0.427 18714 543 1 2 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.947 0.555 18714 544 1 2 . 1 1 27 27 LYS CB C 27 32.633 32.633 32.996 -0.363 18714 545 1 2 . 1 1 27 27 LYS H H 27 7.503 7.503 7.766 -0.263 18714 546 1 2 . 1 1 28 28 ASN N N 28 116.296 116.296 117.318 -1.022 18714 547 1 2 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.780 -0.260 18714 548 1 2 . 1 1 28 28 ASN C C 28 174.134 174.134 174.945 -0.811 18714 549 1 2 . 1 1 28 28 ASN CA C 28 53.705 53.705 53.040 0.665 18714 550 1 2 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.827 -0.461 18714 551 1 2 . 1 1 28 28 ASN H H 28 8.163 8.163 7.604 0.559 18714 552 1 2 . 1 1 29 29 GLN N N 29 123.819 123.819 123.064 0.755 18714 553 1 2 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.684 0.166 18714 554 1 2 . 1 1 29 29 GLN C C 29 173.785 173.785 175.437 -1.652 18714 555 1 2 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.611 -0.009 18714 556 1 2 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.806 -0.577 18714 557 1 2 . 1 1 29 29 GLN H H 29 8.560 8.560 8.492 0.068 18714 558 1 2 . 1 1 30 30 PHE N N 30 116.997 116.997 118.412 -1.415 18714 559 1 2 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.781 -0.039 18714 560 1 2 . 1 1 30 30 PHE CA C 30 53.470 53.470 55.166 -1.696 18714 561 1 2 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.605 -0.469 18714 562 1 2 . 1 1 30 30 PHE H H 30 8.014 8.014 7.649 0.365 18714 563 1 2 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.368 -0.389 18714 564 1 2 . 1 1 31 31 PRO C C 31 177.285 177.285 175.846 1.439 18714 565 1 2 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.328 -0.064 18714 566 1 2 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.441 -1.665 18714 567 1 2 . 1 1 32 32 HIS N N 32 120.779 120.779 121.258 -0.479 18714 568 1 2 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.411 0.164 18714 569 1 2 . 1 1 32 32 HIS C C 32 176.601 176.601 175.961 0.640 18714 570 1 2 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.872 -1.456 18714 571 1 2 . 1 1 32 32 HIS CB C 32 31.396 31.396 31.245 0.151 18714 572 1 2 . 1 1 32 32 HIS H H 32 8.401 8.401 8.380 0.021 18714 573 1 2 . 1 1 33 33 ASP N N 33 124.390 124.390 123.340 1.050 18714 574 1 2 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.373 -0.097 18714 575 1 2 . 1 1 33 33 ASP C C 33 178.064 178.064 177.621 0.443 18714 576 1 2 . 1 1 33 33 ASP CA C 33 58.486 58.486 56.226 2.260 18714 577 1 2 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.557 -0.106 18714 578 1 2 . 1 1 33 33 ASP H H 33 8.691 8.691 8.097 0.594 18714 579 1 2 . 1 1 34 34 SER N N 34 114.256 114.256 115.754 -1.498 18714 580 1 2 . 1 1 34 34 SER HA H 34 4.109 4.109 4.233 -0.124 18714 581 1 2 . 1 1 34 34 SER C C 34 176.645 176.645 176.405 0.240 18714 582 1 2 . 1 1 34 34 SER CA C 34 60.282 60.282 61.587 -1.305 18714 583 1 2 . 1 1 34 34 SER CB C 34 61.931 61.931 63.426 -1.495 18714 584 1 2 . 1 1 34 34 SER H H 34 9.494 9.494 8.181 1.313 18714 585 1 2 . 1 1 35 35 GLU N N 35 126.075 126.075 122.632 3.443 18714 586 1 2 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.139 0.764 18714 587 1 2 . 1 1 35 35 GLU C C 35 177.715 177.715 178.369 -0.654 18714 588 1 2 . 1 1 35 35 GLU CA C 35 56.884 56.884 58.870 -1.986 18714 589 1 2 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.301 -0.780 18714 590 1 2 . 1 1 35 35 GLU H H 35 7.493 7.493 7.697 -0.204 18714 591 1 2 . 1 1 36 36 ILE N N 36 120.906 120.906 120.186 0.720 18714 592 1 2 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.732 -0.129 18714 593 1 2 . 1 1 36 36 ILE C C 36 177.725 177.725 178.139 -0.414 18714 594 1 2 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.175 -0.230 18714 595 1 2 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.702 -1.829 18714 596 1 2 . 1 1 36 36 ILE H H 36 7.697 7.697 7.402 0.295 18714 597 1 2 . 1 1 37 37 ILE N N 37 119.451 119.451 119.381 0.070 18714 598 1 2 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.716 0.243 18714 599 1 2 . 1 1 37 37 ILE C C 37 178.085 178.085 178.112 -0.027 18714 600 1 2 . 1 1 37 37 ILE CA C 37 64.734 64.734 64.145 0.589 18714 601 1 2 . 1 1 37 37 ILE CB C 37 37.781 37.781 36.541 1.240 18714 602 1 2 . 1 1 37 37 ILE H H 37 8.229 8.229 7.741 0.488 18714 603 1 2 . 1 1 38 38 ARG N N 38 122.344 122.344 119.877 2.467 18714 604 1 2 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.088 -0.120 18714 605 1 2 . 1 1 38 38 ARG C C 38 179.165 179.165 179.061 0.104 18714 606 1 2 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.447 0.474 18714 607 1 2 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.229 0.434 18714 608 1 2 . 1 1 38 38 ARG H H 38 7.664 7.664 7.403 0.261 18714 609 1 2 . 1 1 39 39 LEU N N 39 117.479 117.479 119.844 -2.365 18714 610 1 2 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.984 0.042 18714 611 1 2 . 1 1 39 39 LEU C C 39 181.316 181.316 178.924 2.392 18714 612 1 2 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.911 -0.331 18714 613 1 2 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.875 1.509 18714 614 1 2 . 1 1 39 39 LEU H H 39 8.629 8.629 8.254 0.375 18714 615 1 2 . 1 1 40 40 MET N N 40 126.468 126.468 116.851 9.617 18714 616 1 2 . 1 1 40 40 MET HA H 40 3.957 3.957 4.120 -0.163 18714 617 1 2 . 1 1 40 40 MET C C 40 178.466 178.466 178.013 0.453 18714 618 1 2 . 1 1 40 40 MET CA C 40 60.109 60.109 59.307 0.802 18714 619 1 2 . 1 1 40 40 MET CB C 40 34.065 34.065 32.483 1.582 18714 620 1 2 . 1 1 40 40 MET H H 40 9.112 9.112 8.107 1.005 18714 621 1 2 . 1 1 41 41 LYS N N 41 119.282 119.282 117.926 1.356 18714 622 1 2 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.099 -0.059 18714 623 1 2 . 1 1 41 41 LYS C C 41 178.805 178.805 178.461 0.344 18714 624 1 2 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.539 0.676 18714 625 1 2 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.217 -0.090 18714 626 1 2 . 1 1 41 41 LYS H H 41 7.721 7.721 7.356 0.365 18714 627 1 2 . 1 1 42 42 ILE N N 42 114.582 114.582 117.890 -3.308 18714 628 1 2 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.022 0.128 18714 629 1 2 . 1 1 42 42 ILE C C 42 177.365 177.365 177.903 -0.538 18714 630 1 2 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.227 -0.510 18714 631 1 2 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.707 1.123 18714 632 1 2 . 1 1 42 42 ILE H H 42 7.804 7.804 7.765 0.039 18714 633 1 2 . 1 1 43 43 THR N N 43 107.511 107.511 111.422 -3.911 18714 634 1 2 . 1 1 43 43 THR HA H 43 4.536 4.536 4.192 0.344 18714 635 1 2 . 1 1 43 43 THR C C 43 176.120 176.120 176.062 0.058 18714 636 1 2 . 1 1 43 43 THR CA C 43 63.136 63.136 63.785 -0.649 18714 637 1 2 . 1 1 43 43 THR CB C 43 72.060 72.060 69.796 2.264 18714 638 1 2 . 1 1 43 43 THR H H 43 8.313 8.313 8.261 0.052 18714 639 1 2 . 1 1 44 44 GLY N N 44 111.235 111.235 109.554 1.681 18714 640 1 2 . 1 1 44 44 GLY C C 44 174.134 174.134 174.736 -0.602 18714 641 1 2 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.771 1.034 18714 642 1 2 . 1 1 44 44 GLY H H 44 8.055 8.055 7.639 0.416 18714 643 1 2 . 1 1 45 45 LEU N N 45 120.586 120.586 120.133 0.453 18714 644 1 2 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.357 0.148 18714 645 1 2 . 1 1 45 45 LEU C C 45 176.634 176.634 176.612 0.022 18714 646 1 2 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.528 -0.771 18714 647 1 2 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.808 0.498 18714 648 1 2 . 1 1 45 45 LEU H H 45 7.708 7.708 7.542 0.166 18714 649 1 2 . 1 1 46 46 THR N N 46 109.308 109.308 107.391 1.917 18714 650 1 2 . 1 1 46 46 THR HA H 46 4.325 4.325 4.534 -0.209 18714 651 1 2 . 1 1 46 46 THR C C 46 175.215 175.215 175.654 -0.439 18714 652 1 2 . 1 1 46 46 THR CA C 46 60.914 60.914 60.491 0.423 18714 653 1 2 . 1 1 46 46 THR CB C 46 71.237 71.237 70.998 0.239 18714 654 1 2 . 1 1 46 46 THR H H 46 8.570 8.570 8.138 0.432 18714 655 1 2 . 1 1 47 47 LYS N N 47 121.342 121.342 122.624 -1.282 18714 656 1 2 . 1 1 47 47 LYS HA H 47 3.685 3.685 4.013 -0.328 18714 657 1 2 . 1 1 47 47 LYS C C 47 178.805 178.805 178.977 -0.172 18714 658 1 2 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.974 0.818 18714 659 1 2 . 1 1 47 47 LYS CB C 47 32.334 32.334 31.999 0.335 18714 660 1 2 . 1 1 47 47 LYS H H 47 8.797 8.797 8.822 -0.025 18714 661 1 2 . 1 1 48 48 GLY N N 48 104.143 104.143 105.829 -1.686 18714 662 1 2 . 1 1 48 48 GLY C C 48 177.149 177.149 176.377 0.772 18714 663 1 2 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.560 0.329 18714 664 1 2 . 1 1 48 48 GLY H H 48 8.715 8.715 8.400 0.315 18714 665 1 2 . 1 1 49 49 GLU N N 49 121.943 121.943 122.694 -0.751 18714 666 1 2 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.038 0.052 18714 667 1 2 . 1 1 49 49 GLU C C 49 179.886 179.886 179.200 0.686 18714 668 1 2 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.427 -0.244 18714 669 1 2 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.432 1.258 18714 670 1 2 . 1 1 49 49 GLU H H 49 7.851 7.851 7.587 0.264 18714 671 1 2 . 1 1 50 50 ILE N N 50 121.748 121.748 119.467 2.281 18714 672 1 2 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.793 -0.033 18714 673 1 2 . 1 1 50 50 ILE C C 50 177.735 177.735 178.140 -0.405 18714 674 1 2 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.128 0.990 18714 675 1 2 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.826 0.286 18714 676 1 2 . 1 1 50 50 ILE H H 50 8.224 8.224 7.798 0.426 18714 677 1 2 . 1 1 51 51 LYS N N 51 119.119 119.119 120.161 -1.042 18714 678 1 2 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.086 -0.025 18714 679 1 2 . 1 1 51 51 LYS C C 51 179.526 179.526 179.184 0.342 18714 680 1 2 . 1 1 51 51 LYS CA C 51 61.120 61.120 60.257 0.863 18714 681 1 2 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.194 -0.298 18714 682 1 2 . 1 1 51 51 LYS H H 51 8.842 8.842 7.683 1.159 18714 683 1 2 . 1 1 52 52 LYS N N 52 120.252 120.252 119.032 1.220 18714 684 1 2 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.122 0.072 18714 685 1 2 . 1 1 52 52 LYS C C 52 176.830 176.830 179.042 -2.212 18714 686 1 2 . 1 1 52 52 LYS CA C 52 58.750 58.750 58.919 -0.169 18714 687 1 2 . 1 1 52 52 LYS CB C 52 32.387 32.387 31.915 0.473 18714 688 1 2 . 1 1 52 52 LYS H H 52 8.208 8.208 8.007 0.201 18714 689 1 2 . 1 1 53 53 TRP N N 53 120.333 120.333 122.793 -2.460 18714 690 1 2 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.253 -0.064 18714 691 1 2 . 1 1 53 53 TRP C C 53 180.266 180.266 178.119 2.147 18714 692 1 2 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.709 1.010 18714 693 1 2 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.360 -1.206 18714 694 1 2 . 1 1 53 53 TRP H H 53 8.132 8.132 7.798 0.334 18714 695 1 2 . 1 1 54 54 PHE N N 54 120.742 120.742 116.268 4.474 18714 696 1 2 . 1 1 54 54 PHE HA H 54 3.714 3.714 4.104 -0.390 18714 697 1 2 . 1 1 54 54 PHE C C 54 177.488 177.488 178.376 -0.888 18714 698 1 2 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.113 1.780 18714 699 1 2 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.878 0.524 18714 700 1 2 . 1 1 54 54 PHE H H 54 8.903 8.903 8.200 0.703 18714 701 1 2 . 1 1 55 55 SER N N 55 113.136 113.136 114.730 -1.594 18714 702 1 2 . 1 1 55 55 SER HA H 55 4.063 4.063 4.182 -0.119 18714 703 1 2 . 1 1 55 55 SER C C 55 177.571 177.571 176.409 1.162 18714 704 1 2 . 1 1 55 55 SER CA C 55 62.419 62.419 61.983 0.436 18714 705 1 2 . 1 1 55 55 SER CB C 55 62.673 62.673 63.280 -0.607 18714 706 1 2 . 1 1 55 55 SER H H 55 8.136 8.136 8.330 -0.194 18714 707 1 2 . 1 1 56 56 ASP N N 56 122.871 122.871 120.318 2.553 18714 708 1 2 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.549 -0.251 18714 709 1 2 . 1 1 56 56 ASP C C 56 178.085 178.085 178.354 -0.269 18714 710 1 2 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.077 -0.114 18714 711 1 2 . 1 1 56 56 ASP CB C 56 39.721 39.721 41.072 -1.351 18714 712 1 2 . 1 1 56 56 ASP H H 56 9.091 9.091 7.759 1.332 18714 713 1 2 . 1 1 57 57 THR N N 57 118.957 118.957 116.974 1.983 18714 714 1 2 . 1 1 57 57 THR HA H 57 3.335 3.335 3.605 -0.270 18714 715 1 2 . 1 1 57 57 THR C C 57 175.925 175.925 175.834 0.091 18714 716 1 2 . 1 1 57 57 THR CA C 57 67.064 67.064 66.335 0.729 18714 717 1 2 . 1 1 57 57 THR CB C 57 67.387 67.387 67.643 -0.256 18714 718 1 2 . 1 1 57 57 THR H H 57 7.926 7.926 7.781 0.145 18714 719 1 2 . 1 1 58 58 ARG N N 58 120.980 120.980 120.960 0.020 18714 720 1 2 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.212 -0.011 18714 721 1 2 . 1 1 58 58 ARG C C 58 179.536 179.536 178.189 1.347 18714 722 1 2 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.015 0.961 18714 723 1 2 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.810 1.584 18714 724 1 2 . 1 1 58 58 ARG H H 58 8.139 8.139 7.501 0.638 18714 725 1 2 . 1 1 59 59 TYR N N 59 119.449 119.449 118.398 1.051 18714 726 1 2 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.368 -0.224 18714 727 1 2 . 1 1 59 59 TYR C C 59 178.075 178.075 177.150 0.925 18714 728 1 2 . 1 1 59 59 TYR CA C 59 61.320 61.320 60.918 0.402 18714 729 1 2 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.771 -0.769 18714 730 1 2 . 1 1 59 59 TYR H H 59 8.004 8.004 7.457 0.547 18714 731 1 2 . 1 1 60 60 ASN N N 60 118.169 118.169 117.328 0.841 18714 732 1 2 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.361 -0.007 18714 733 1 2 . 1 1 60 60 ASN C C 60 177.005 177.005 177.595 -0.590 18714 734 1 2 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.594 -0.434 18714 735 1 2 . 1 1 60 60 ASN CB C 60 38.292 38.292 37.713 0.579 18714 736 1 2 . 1 1 60 60 ASN H H 60 8.354 8.354 7.982 0.372 18714 737 1 2 . 1 1 61 61 GLN N N 61 118.671 118.671 116.771 1.900 18714 738 1 2 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.102 0.039 18714 739 1 2 . 1 1 61 61 GLN C C 61 177.046 177.046 177.333 -0.287 18714 740 1 2 . 1 1 61 61 GLN CA C 61 57.217 57.217 56.918 0.299 18714 741 1 2 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.172 0.294 18714 742 1 2 . 1 1 61 61 GLN H H 61 7.971 7.971 7.836 0.135 18714 743 1 2 . 1 1 62 62 ARG N N 62 119.140 119.140 117.294 1.846 18714 744 1 2 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.129 0.060 18714 745 1 2 . 1 1 62 62 ARG C C 62 176.655 176.655 176.867 -0.212 18714 746 1 2 . 1 1 62 62 ARG CA C 62 57.462 57.462 57.054 0.408 18714 747 1 2 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.272 -0.376 18714 748 1 2 . 1 1 62 62 ARG H H 62 7.690 7.690 7.348 0.342 18714 749 1 2 . 1 1 63 63 ASN N N 63 117.472 117.472 117.973 -0.501 18714 750 1 2 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.678 0.056 18714 751 1 2 . 1 1 63 63 ASN C C 63 175.194 175.194 175.642 -0.448 18714 752 1 2 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.616 0.525 18714 753 1 2 . 1 1 63 63 ASN CB C 63 38.875 38.875 39.580 -0.705 18714 754 1 2 . 1 1 63 63 ASN H H 63 8.003 8.003 7.322 0.681 18714 755 1 2 . 1 1 64 64 SER N N 64 115.768 115.768 120.708 -4.940 18714 756 1 2 . 1 1 64 64 SER HA H 64 4.402 4.402 4.293 0.109 18714 757 1 2 . 1 1 64 64 SER C C 64 174.721 174.721 175.771 -1.050 18714 758 1 2 . 1 1 64 64 SER CA C 64 58.758 58.758 60.165 -1.407 18714 759 1 2 . 1 1 64 64 SER CB C 64 63.620 63.620 63.222 0.398 18714 760 1 2 . 1 1 64 64 SER H H 64 7.942 7.942 8.914 -0.972 18714 761 1 2 . 1 1 65 65 LYS N N 65 122.579 122.579 123.292 -0.713 18714 762 1 2 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.346 -0.036 18714 763 1 2 . 1 1 65 65 LYS C C 65 176.665 176.665 175.267 1.398 18714 764 1 2 . 1 1 65 65 LYS CA C 65 56.366 56.366 55.583 0.784 18714 765 1 2 . 1 1 65 65 LYS CB C 65 33.054 33.054 31.190 1.864 18714 766 1 2 . 1 1 65 65 LYS H H 65 8.319 8.319 7.950 0.369 18714 767 1 2 . 1 1 66 66 SER N N 66 115.560 115.560 118.854 -3.294 18714 768 1 2 . 1 1 66 66 SER HA H 66 4.425 4.425 4.500 -0.075 18714 769 1 2 . 1 1 66 66 SER CA C 66 58.577 58.577 57.349 1.228 18714 770 1 2 . 1 1 66 66 SER CB C 66 63.670 63.670 62.558 1.112 18714 771 1 2 . 1 1 66 66 SER H H 66 8.184 8.184 7.969 0.215 18714 772 1 2 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.651 0.052 18714 773 1 2 . 1 1 67 67 ASN C C 67 175.196 175.196 175.063 0.133 18714 774 1 2 . 1 1 67 67 ASN CA C 67 53.417 53.417 54.345 -0.928 18714 775 1 2 . 1 1 67 67 ASN CB C 67 38.593 38.593 39.146 -0.553 18714 776 1 2 . 1 1 68 68 GLN N N 68 120.106 120.106 119.243 0.863 18714 777 1 2 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.330 -0.027 18714 778 1 2 . 1 1 68 68 GLN C C 68 175.708 175.708 175.960 -0.252 18714 779 1 2 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.659 0.513 18714 780 1 2 . 1 1 68 68 GLN CB C 68 29.172 29.172 27.176 1.996 18714 781 1 2 . 1 1 68 68 GLN H H 68 8.283 8.283 7.721 0.562 18714 782 1 2 . 1 1 69 69 CYS N N 69 119.599 119.599 122.803 -3.204 18714 783 1 2 . 1 1 69 69 CYS HA H 69 4.404 4.404 3.903 0.501 18714 784 1 2 . 1 1 69 69 CYS C C 69 174.412 174.412 175.381 -0.969 18714 785 1 2 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.685 -0.992 18714 786 1 2 . 1 1 69 69 CYS CB C 69 27.610 27.610 28.283 -0.673 18714 787 1 2 . 1 1 69 69 CYS H H 69 8.313 8.313 8.877 -0.564 18714 788 1 2 . 1 1 70 70 LEU N N 70 123.832 123.832 119.631 4.201 18714 789 1 2 . 1 1 70 70 LEU HA H 70 4.267 4.267 3.848 0.419 18714 790 1 2 . 1 1 70 70 LEU C C 70 176.645 176.645 175.717 0.928 18714 791 1 2 . 1 1 70 70 LEU CA C 70 55.283 55.283 56.784 -1.501 18714 792 1 2 . 1 1 70 70 LEU CB C 70 42.259 42.259 40.948 1.311 18714 793 1 2 . 1 1 70 70 LEU H H 70 8.201 8.201 8.430 -0.229 18714 794 1 2 . 1 1 71 71 HIS N N 71 119.423 119.423 120.056 -0.633 18714 795 1 2 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.475 0.173 18714 796 1 2 . 1 1 71 71 HIS C C 71 174.494 174.494 174.889 -0.395 18714 797 1 2 . 1 1 71 71 HIS CA C 71 55.424 55.424 57.139 -1.715 18714 798 1 2 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.852 -0.165 18714 799 1 2 . 1 1 71 71 HIS H H 71 8.308 8.308 7.637 0.671 18714 800 1 2 . 1 1 72 72 LEU N N 72 122.990 122.990 123.670 -0.680 18714 801 1 2 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.687 -0.354 18714 802 1 2 . 1 1 72 72 LEU C C 72 176.645 176.645 175.950 0.695 18714 803 1 2 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.004 0.977 18714 804 1 2 . 1 1 72 72 LEU CB C 72 42.181 42.181 43.300 -1.119 18714 805 1 2 . 1 1 72 72 LEU H H 72 8.146 8.146 8.183 -0.037 18714 806 1 2 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.888 -0.155 18714 807 1 2 . 1 1 73 73 ASN C C 73 173.774 173.774 174.875 -1.101 18714 808 1 2 . 1 1 73 73 ASN CA C 73 53.033 53.033 52.746 0.287 18714 809 1 2 . 1 1 73 73 ASN CB C 73 38.928 38.928 39.331 -0.403 18714 810 1 2 . 1 1 73 73 ASN H H 73 8.428 8.428 8.430 -0.002 18714 811 1 3 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.414 -0.030 18714 812 1 3 . 1 1 4 4 PRO C C 4 176.388 176.388 175.941 0.447 18714 813 1 3 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.956 0.141 18714 814 1 3 . 1 1 4 4 PRO CB C 4 32.056 32.056 32.061 -0.005 18714 815 1 3 . 1 1 5 5 ASP N N 5 120.482 120.482 117.684 2.798 18714 816 1 3 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.498 0.046 18714 817 1 3 . 1 1 5 5 ASP C C 5 176.336 176.336 175.555 0.781 18714 818 1 3 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.493 -0.171 18714 819 1 3 . 1 1 5 5 ASP CB C 5 41.006 41.006 40.862 0.144 18714 820 1 3 . 1 1 5 5 ASP H H 5 8.415 8.415 8.325 0.090 18714 821 1 3 . 1 1 6 6 SER N N 6 115.481 115.481 116.270 -0.789 18714 822 1 3 . 1 1 6 6 SER HA H 6 4.326 4.326 4.509 -0.183 18714 823 1 3 . 1 1 6 6 SER C C 6 174.494 174.494 174.805 -0.311 18714 824 1 3 . 1 1 6 6 SER CA C 6 58.559 58.559 58.295 0.264 18714 825 1 3 . 1 1 6 6 SER CB C 6 63.461 63.461 63.570 -0.109 18714 826 1 3 . 1 1 6 6 SER H H 6 8.146 8.146 8.326 -0.180 18714 827 1 3 . 1 1 7 7 PHE N N 7 121.475 121.475 129.200 -7.725 18714 828 1 3 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.379 0.180 18714 829 1 3 . 1 1 7 7 PHE C C 7 176.285 176.285 176.528 -0.243 18714 830 1 3 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.152 1.075 18714 831 1 3 . 1 1 7 7 PHE CB C 7 39.213 39.213 38.760 0.453 18714 832 1 3 . 1 1 7 7 PHE H H 7 8.236 8.236 8.998 -0.762 18714 833 1 3 . 1 1 8 8 GLY N N 8 109.715 109.715 117.894 -8.179 18714 834 1 3 . 1 1 8 8 GLY C C 8 174.124 174.124 174.492 -0.368 18714 835 1 3 . 1 1 8 8 GLY CA C 8 45.366 45.366 45.837 -0.471 18714 836 1 3 . 1 1 8 8 GLY H H 8 8.256 8.256 8.232 0.024 18714 837 1 3 . 1 1 9 9 ILE N N 9 120.361 120.361 124.007 -3.646 18714 838 1 3 . 1 1 9 9 ILE HA H 9 4.112 4.112 3.937 0.175 18714 839 1 3 . 1 1 9 9 ILE C C 9 176.429 176.429 175.466 0.963 18714 840 1 3 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.734 -0.281 18714 841 1 3 . 1 1 9 9 ILE CB C 9 38.386 38.386 36.223 2.163 18714 842 1 3 . 1 1 9 9 ILE H H 9 7.975 7.975 7.854 0.121 18714 843 1 3 . 1 1 10 10 ARG N N 10 124.698 124.698 127.492 -2.794 18714 844 1 3 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.303 0.023 18714 845 1 3 . 1 1 10 10 ARG C C 10 175.925 175.925 176.924 -0.999 18714 846 1 3 . 1 1 10 10 ARG CA C 10 55.824 55.824 56.363 -0.539 18714 847 1 3 . 1 1 10 10 ARG CB C 10 30.482 30.482 31.000 -0.518 18714 848 1 3 . 1 1 10 10 ARG H H 10 8.407 8.407 8.398 0.009 18714 849 1 3 . 1 1 11 11 ALA N N 11 124.966 124.966 122.360 2.606 18714 850 1 3 . 1 1 11 11 ALA HA H 11 4.273 4.273 3.873 0.400 18714 851 1 3 . 1 1 11 11 ALA C C 11 177.715 177.715 177.285 0.430 18714 852 1 3 . 1 1 11 11 ALA CA C 11 52.525 52.525 53.806 -1.281 18714 853 1 3 . 1 1 11 11 ALA CB C 11 19.094 19.094 17.136 1.958 18714 854 1 3 . 1 1 11 11 ALA H H 11 8.257 8.257 8.379 -0.122 18714 855 1 3 . 1 1 12 12 LYS N N 12 120.850 120.850 124.536 -3.686 18714 856 1 3 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.146 0.179 18714 857 1 3 . 1 1 12 12 LYS C C 12 176.655 176.655 175.772 0.883 18714 858 1 3 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.599 -0.485 18714 859 1 3 . 1 1 12 12 LYS CB C 12 32.985 32.985 32.345 0.640 18714 860 1 3 . 1 1 12 12 LYS H H 12 8.217 8.217 7.996 0.221 18714 861 1 3 . 1 1 13 13 LYS N N 13 122.258 122.258 126.210 -3.952 18714 862 1 3 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.655 -0.047 18714 863 1 3 . 1 1 13 13 LYS C C 13 177.005 177.005 176.730 0.275 18714 864 1 3 . 1 1 13 13 LYS CA C 13 55.875 55.875 55.205 0.670 18714 865 1 3 . 1 1 13 13 LYS CB C 13 33.731 33.731 34.105 -0.374 18714 866 1 3 . 1 1 13 13 LYS H H 13 8.317 8.317 8.375 -0.058 18714 867 1 3 . 1 1 14 14 THR N N 14 113.409 113.409 117.807 -4.398 18714 868 1 3 . 1 1 14 14 THR HA H 14 4.387 4.387 4.416 -0.029 18714 869 1 3 . 1 1 14 14 THR C C 14 175.215 175.215 175.468 -0.253 18714 870 1 3 . 1 1 14 14 THR CA C 14 61.057 61.057 61.489 -0.432 18714 871 1 3 . 1 1 14 14 THR CB C 14 70.754 70.754 70.640 0.114 18714 872 1 3 . 1 1 14 14 THR H H 14 8.747 8.747 8.917 -0.170 18714 873 1 3 . 1 1 15 15 LYS N N 15 120.711 120.711 122.292 -1.581 18714 874 1 3 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.974 -0.011 18714 875 1 3 . 1 1 15 15 LYS C C 15 178.898 178.898 178.589 0.309 18714 876 1 3 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.687 -0.100 18714 877 1 3 . 1 1 15 15 LYS CB C 15 32.016 32.016 31.864 0.152 18714 878 1 3 . 1 1 15 15 LYS H H 15 8.804 8.804 8.738 0.066 18714 879 1 3 . 1 1 16 16 GLU N N 16 119.447 119.447 116.184 3.263 18714 880 1 3 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.010 0.033 18714 881 1 3 . 1 1 16 16 GLU C C 16 179.536 179.536 178.811 0.725 18714 882 1 3 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.279 0.832 18714 883 1 3 . 1 1 16 16 GLU CB C 16 28.697 28.697 28.366 0.331 18714 884 1 3 . 1 1 16 16 GLU H H 16 8.715 8.715 8.764 -0.049 18714 885 1 3 . 1 1 17 17 GLN N N 17 119.610 119.610 119.784 -0.174 18714 886 1 3 . 1 1 17 17 GLN HA H 17 3.861 3.861 4.014 -0.153 18714 887 1 3 . 1 1 17 17 GLN C C 17 177.725 177.725 178.463 -0.738 18714 888 1 3 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.453 0.432 18714 889 1 3 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.699 0.002 18714 890 1 3 . 1 1 17 17 GLN H H 17 7.811 7.811 7.613 0.198 18714 891 1 3 . 1 1 18 18 LEU N N 18 116.893 116.893 119.332 -2.439 18714 892 1 3 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.680 -0.096 18714 893 1 3 . 1 1 18 18 LEU C C 18 178.250 178.250 178.737 -0.487 18714 894 1 3 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.141 0.087 18714 895 1 3 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.467 0.196 18714 896 1 3 . 1 1 18 18 LEU H H 18 8.190 8.190 7.701 0.489 18714 897 1 3 . 1 1 19 19 ALA N N 19 120.561 120.561 121.919 -1.358 18714 898 1 3 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.949 0.038 18714 899 1 3 . 1 1 19 19 ALA C C 19 180.071 180.071 179.661 0.410 18714 900 1 3 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.431 -0.300 18714 901 1 3 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.967 -0.046 18714 902 1 3 . 1 1 19 19 ALA H H 19 8.013 8.013 7.989 0.024 18714 903 1 3 . 1 1 20 20 GLU N N 20 115.648 115.648 118.230 -2.582 18714 904 1 3 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.021 0.016 18714 905 1 3 . 1 1 20 20 GLU C C 20 179.526 179.526 179.159 0.367 18714 906 1 3 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.692 -0.748 18714 907 1 3 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.050 -0.190 18714 908 1 3 . 1 1 20 20 GLU H H 20 7.165 7.165 7.597 -0.432 18714 909 1 3 . 1 1 21 21 LEU N N 21 120.140 120.140 119.625 0.515 18714 910 1 3 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.740 -0.182 18714 911 1 3 . 1 1 21 21 LEU C C 21 177.344 177.344 178.908 -1.564 18714 912 1 3 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.257 0.654 18714 913 1 3 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.474 -2.642 18714 914 1 3 . 1 1 21 21 LEU H H 21 7.428 7.428 7.333 0.095 18714 915 1 3 . 1 1 22 22 LYS N N 22 117.352 117.352 119.464 -2.112 18714 916 1 3 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.387 -0.411 18714 917 1 3 . 1 1 22 22 LYS C C 22 178.805 178.805 179.242 -0.437 18714 918 1 3 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.614 0.668 18714 919 1 3 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.437 -0.263 18714 920 1 3 . 1 1 22 22 LYS H H 22 8.021 8.021 7.550 0.471 18714 921 1 3 . 1 1 23 23 VAL N N 23 117.470 117.470 120.293 -2.823 18714 922 1 3 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.779 -0.082 18714 923 1 3 . 1 1 23 23 VAL C C 23 178.291 178.291 178.035 0.256 18714 924 1 3 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.402 0.019 18714 925 1 3 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.858 0.852 18714 926 1 3 . 1 1 23 23 VAL H H 23 7.618 7.618 7.873 -0.255 18714 927 1 3 . 1 1 24 24 SER N N 24 113.371 113.371 115.489 -2.118 18714 928 1 3 . 1 1 24 24 SER HA H 24 4.247 4.247 4.248 -0.001 18714 929 1 3 . 1 1 24 24 SER C C 24 177.015 177.015 176.868 0.147 18714 930 1 3 . 1 1 24 24 SER CA C 24 61.550 61.550 61.820 -0.270 18714 931 1 3 . 1 1 24 24 SER CB C 24 62.987 62.987 63.076 -0.089 18714 932 1 3 . 1 1 24 24 SER H H 24 7.340 7.340 7.860 -0.520 18714 933 1 3 . 1 1 25 25 TYR N N 25 120.532 120.532 123.241 -2.709 18714 934 1 3 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.981 -0.729 18714 935 1 3 . 1 1 25 25 TYR C C 25 176.470 176.470 177.407 -0.937 18714 936 1 3 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.358 0.437 18714 937 1 3 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.792 -0.181 18714 938 1 3 . 1 1 25 25 TYR H H 25 8.888 8.888 8.028 0.860 18714 939 1 3 . 1 1 26 26 LEU N N 26 115.079 115.079 117.106 -2.027 18714 940 1 3 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.929 0.106 18714 941 1 3 . 1 1 26 26 LEU C C 26 179.021 179.021 178.600 0.421 18714 942 1 3 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.858 -0.009 18714 943 1 3 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.992 -0.008 18714 944 1 3 . 1 1 26 26 LEU H H 26 7.953 7.953 8.033 -0.080 18714 945 1 3 . 1 1 27 27 LYS N N 27 119.058 119.058 117.935 1.123 18714 946 1 3 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.195 -0.026 18714 947 1 3 . 1 1 27 27 LYS C C 27 177.375 177.375 176.666 0.709 18714 948 1 3 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.955 0.546 18714 949 1 3 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.742 -1.109 18714 950 1 3 . 1 1 27 27 LYS H H 27 7.503 7.503 7.724 -0.221 18714 951 1 3 . 1 1 28 28 ASN N N 28 116.296 116.296 117.372 -1.076 18714 952 1 3 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.905 -0.385 18714 953 1 3 . 1 1 28 28 ASN C C 28 174.134 174.134 174.628 -0.494 18714 954 1 3 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.353 1.352 18714 955 1 3 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.081 -0.715 18714 956 1 3 . 1 1 28 28 ASN H H 28 8.163 8.163 8.307 -0.144 18714 957 1 3 . 1 1 29 29 GLN N N 29 123.819 123.819 120.953 2.866 18714 958 1 3 . 1 1 29 29 GLN HA H 29 3.850 3.850 4.096 -0.246 18714 959 1 3 . 1 1 29 29 GLN C C 29 173.785 173.785 174.792 -1.007 18714 960 1 3 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.738 -0.136 18714 961 1 3 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.831 -0.601 18714 962 1 3 . 1 1 29 29 GLN H H 29 8.560 8.560 8.563 -0.003 18714 963 1 3 . 1 1 30 30 PHE N N 30 116.997 116.997 116.533 0.464 18714 964 1 3 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.659 0.083 18714 965 1 3 . 1 1 30 30 PHE CA C 30 53.470 53.470 55.128 -1.658 18714 966 1 3 . 1 1 30 30 PHE CB C 30 39.136 39.136 38.959 0.177 18714 967 1 3 . 1 1 30 30 PHE H H 30 8.014 8.014 7.804 0.210 18714 968 1 3 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.609 -0.630 18714 969 1 3 . 1 1 31 31 PRO C C 31 177.285 177.285 175.917 1.368 18714 970 1 3 . 1 1 31 31 PRO CA C 31 62.264 62.264 61.981 0.283 18714 971 1 3 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.762 -1.985 18714 972 1 3 . 1 1 32 32 HIS N N 32 120.779 120.779 118.211 2.568 18714 973 1 3 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.562 0.013 18714 974 1 3 . 1 1 32 32 HIS C C 32 176.601 176.601 176.364 0.237 18714 975 1 3 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.170 -0.754 18714 976 1 3 . 1 1 32 32 HIS CB C 32 31.396 31.396 31.117 0.279 18714 977 1 3 . 1 1 32 32 HIS H H 32 8.401 8.401 8.495 -0.094 18714 978 1 3 . 1 1 33 33 ASP N N 33 124.390 124.390 121.170 3.220 18714 979 1 3 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.411 -0.135 18714 980 1 3 . 1 1 33 33 ASP C C 33 178.064 178.064 177.972 0.092 18714 981 1 3 . 1 1 33 33 ASP CA C 33 58.486 58.486 57.591 0.895 18714 982 1 3 . 1 1 33 33 ASP CB C 33 40.451 40.451 41.139 -0.688 18714 983 1 3 . 1 1 33 33 ASP H H 33 8.691 8.691 8.751 -0.060 18714 984 1 3 . 1 1 34 34 SER N N 34 114.256 114.256 115.183 -0.927 18714 985 1 3 . 1 1 34 34 SER HA H 34 4.109 4.109 4.114 -0.005 18714 986 1 3 . 1 1 34 34 SER C C 34 176.645 176.645 176.089 0.556 18714 987 1 3 . 1 1 34 34 SER CA C 34 60.282 60.282 61.321 -1.038 18714 988 1 3 . 1 1 34 34 SER CB C 34 61.931 61.931 62.713 -0.782 18714 989 1 3 . 1 1 34 34 SER H H 34 9.494 9.494 8.689 0.805 18714 990 1 3 . 1 1 35 35 GLU N N 35 126.075 126.075 122.649 3.426 18714 991 1 3 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.094 0.809 18714 992 1 3 . 1 1 35 35 GLU C C 35 177.715 177.715 178.569 -0.854 18714 993 1 3 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.064 -2.180 18714 994 1 3 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.175 -0.654 18714 995 1 3 . 1 1 35 35 GLU H H 35 7.493 7.493 8.226 -0.733 18714 996 1 3 . 1 1 36 36 ILE N N 36 120.906 120.906 119.927 0.979 18714 997 1 3 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.764 -0.161 18714 998 1 3 . 1 1 36 36 ILE C C 36 177.725 177.725 178.236 -0.511 18714 999 1 3 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.212 -0.267 18714 1000 1 3 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.931 -2.058 18714 1001 1 3 . 1 1 36 36 ILE H H 36 7.697 7.697 7.529 0.168 18714 1002 1 3 . 1 1 37 37 ILE N N 37 119.451 119.451 119.733 -0.282 18714 1003 1 3 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.613 0.346 18714 1004 1 3 . 1 1 37 37 ILE C C 37 178.085 178.085 177.833 0.252 18714 1005 1 3 . 1 1 37 37 ILE CA C 37 64.734 64.734 65.373 -0.639 18714 1006 1 3 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.461 0.320 18714 1007 1 3 . 1 1 37 37 ILE H H 37 8.229 8.229 7.917 0.312 18714 1008 1 3 . 1 1 38 38 ARG N N 38 122.344 122.344 120.295 2.049 18714 1009 1 3 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.013 -0.045 18714 1010 1 3 . 1 1 38 38 ARG C C 38 179.165 179.165 178.747 0.418 18714 1011 1 3 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.655 0.266 18714 1012 1 3 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.183 0.480 18714 1013 1 3 . 1 1 38 38 ARG H H 38 7.664 7.664 7.579 0.085 18714 1014 1 3 . 1 1 39 39 LEU N N 39 117.479 117.479 119.363 -1.884 18714 1015 1 3 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.935 0.091 18714 1016 1 3 . 1 1 39 39 LEU C C 39 181.316 181.316 179.357 1.959 18714 1017 1 3 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.639 -0.059 18714 1018 1 3 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.753 1.631 18714 1019 1 3 . 1 1 39 39 LEU H H 39 8.629 8.629 8.121 0.508 18714 1020 1 3 . 1 1 40 40 MET N N 40 126.468 126.468 117.173 9.295 18714 1021 1 3 . 1 1 40 40 MET HA H 40 3.957 3.957 4.191 -0.234 18714 1022 1 3 . 1 1 40 40 MET C C 40 178.466 178.466 178.669 -0.203 18714 1023 1 3 . 1 1 40 40 MET CA C 40 60.109 60.109 59.247 0.862 18714 1024 1 3 . 1 1 40 40 MET CB C 40 34.065 34.065 32.438 1.627 18714 1025 1 3 . 1 1 40 40 MET H H 40 9.112 9.112 8.061 1.051 18714 1026 1 3 . 1 1 41 41 LYS N N 41 119.282 119.282 119.022 0.260 18714 1027 1 3 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.109 -0.069 18714 1028 1 3 . 1 1 41 41 LYS C C 41 178.805 178.805 178.450 0.355 18714 1029 1 3 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.642 0.574 18714 1030 1 3 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.383 -0.257 18714 1031 1 3 . 1 1 41 41 LYS H H 41 7.721 7.721 7.507 0.214 18714 1032 1 3 . 1 1 42 42 ILE N N 42 114.582 114.582 118.427 -3.845 18714 1033 1 3 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.004 0.146 18714 1034 1 3 . 1 1 42 42 ILE C C 42 177.365 177.365 177.760 -0.395 18714 1035 1 3 . 1 1 42 42 ILE CA C 42 62.717 62.717 62.945 -0.228 18714 1036 1 3 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.712 1.118 18714 1037 1 3 . 1 1 42 42 ILE H H 42 7.804 7.804 7.988 -0.184 18714 1038 1 3 . 1 1 43 43 THR N N 43 107.511 107.511 111.074 -3.563 18714 1039 1 3 . 1 1 43 43 THR HA H 43 4.536 4.536 4.291 0.245 18714 1040 1 3 . 1 1 43 43 THR C C 43 176.120 176.120 175.772 0.348 18714 1041 1 3 . 1 1 43 43 THR CA C 43 63.136 63.136 63.362 -0.226 18714 1042 1 3 . 1 1 43 43 THR CB C 43 72.060 72.060 70.411 1.649 18714 1043 1 3 . 1 1 43 43 THR H H 43 8.313 8.313 7.999 0.314 18714 1044 1 3 . 1 1 44 44 GLY N N 44 111.235 111.235 109.187 2.048 18714 1045 1 3 . 1 1 44 44 GLY C C 44 174.134 174.134 174.040 0.094 18714 1046 1 3 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.703 1.102 18714 1047 1 3 . 1 1 44 44 GLY H H 44 8.055 8.055 7.875 0.180 18714 1048 1 3 . 1 1 45 45 LEU N N 45 120.586 120.586 121.165 -0.579 18714 1049 1 3 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.551 -0.046 18714 1050 1 3 . 1 1 45 45 LEU C C 45 176.634 176.634 176.932 -0.298 18714 1051 1 3 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.132 -0.375 18714 1052 1 3 . 1 1 45 45 LEU CB C 45 43.306 43.306 43.126 0.180 18714 1053 1 3 . 1 1 45 45 LEU H H 45 7.708 7.708 7.732 -0.024 18714 1054 1 3 . 1 1 46 46 THR N N 46 109.308 109.308 108.955 0.353 18714 1055 1 3 . 1 1 46 46 THR HA H 46 4.325 4.325 4.621 -0.296 18714 1056 1 3 . 1 1 46 46 THR C C 46 175.215 175.215 175.624 -0.409 18714 1057 1 3 . 1 1 46 46 THR CA C 46 60.914 60.914 60.429 0.485 18714 1058 1 3 . 1 1 46 46 THR CB C 46 71.237 71.237 71.043 0.194 18714 1059 1 3 . 1 1 46 46 THR H H 46 8.570 8.570 8.485 0.085 18714 1060 1 3 . 1 1 47 47 LYS N N 47 121.342 121.342 123.063 -1.721 18714 1061 1 3 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.987 -0.302 18714 1062 1 3 . 1 1 47 47 LYS C C 47 178.805 178.805 178.459 0.346 18714 1063 1 3 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.429 0.362 18714 1064 1 3 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.132 0.202 18714 1065 1 3 . 1 1 47 47 LYS H H 47 8.797 8.797 8.526 0.271 18714 1066 1 3 . 1 1 48 48 GLY N N 48 104.143 104.143 106.606 -2.463 18714 1067 1 3 . 1 1 48 48 GLY C C 48 177.149 177.149 176.356 0.793 18714 1068 1 3 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.908 -0.019 18714 1069 1 3 . 1 1 48 48 GLY H H 48 8.715 8.715 8.595 0.120 18714 1070 1 3 . 1 1 49 49 GLU N N 49 121.943 121.943 122.175 -0.232 18714 1071 1 3 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.030 0.060 18714 1072 1 3 . 1 1 49 49 GLU C C 49 179.886 179.886 179.294 0.592 18714 1073 1 3 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.010 0.173 18714 1074 1 3 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.650 1.040 18714 1075 1 3 . 1 1 49 49 GLU H H 49 7.851 7.851 7.589 0.262 18714 1076 1 3 . 1 1 50 50 ILE N N 50 121.748 121.748 120.429 1.319 18714 1077 1 3 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.784 -0.024 18714 1078 1 3 . 1 1 50 50 ILE C C 50 177.735 177.735 177.995 -0.260 18714 1079 1 3 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.177 0.941 18714 1080 1 3 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.894 0.218 18714 1081 1 3 . 1 1 50 50 ILE H H 50 8.224 8.224 7.971 0.254 18714 1082 1 3 . 1 1 51 51 LYS N N 51 119.119 119.119 119.733 -0.614 18714 1083 1 3 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.141 -0.080 18714 1084 1 3 . 1 1 51 51 LYS C C 51 179.526 179.526 179.036 0.490 18714 1085 1 3 . 1 1 51 51 LYS CA C 51 61.120 61.120 60.037 1.083 18714 1086 1 3 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.200 -0.304 18714 1087 1 3 . 1 1 51 51 LYS H H 51 8.842 8.842 8.272 0.570 18714 1088 1 3 . 1 1 52 52 LYS N N 52 120.252 120.252 120.095 0.157 18714 1089 1 3 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.056 0.138 18714 1090 1 3 . 1 1 52 52 LYS C C 52 176.830 176.830 178.177 -1.347 18714 1091 1 3 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.574 -0.824 18714 1092 1 3 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.309 0.079 18714 1093 1 3 . 1 1 52 52 LYS H H 52 8.208 8.208 7.620 0.588 18714 1094 1 3 . 1 1 53 53 TRP N N 53 120.333 120.333 121.987 -1.654 18714 1095 1 3 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.203 -0.014 18714 1096 1 3 . 1 1 53 53 TRP C C 53 180.266 180.266 178.005 2.261 18714 1097 1 3 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.513 1.206 18714 1098 1 3 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.320 -1.166 18714 1099 1 3 . 1 1 53 53 TRP H H 53 8.132 8.132 7.978 0.154 18714 1100 1 3 . 1 1 54 54 PHE N N 54 120.742 120.742 116.568 4.174 18714 1101 1 3 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.969 -0.255 18714 1102 1 3 . 1 1 54 54 PHE C C 54 177.488 177.488 178.358 -0.870 18714 1103 1 3 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.154 1.739 18714 1104 1 3 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.663 0.739 18714 1105 1 3 . 1 1 54 54 PHE H H 54 8.903 8.903 8.372 0.531 18714 1106 1 3 . 1 1 55 55 SER N N 55 113.136 113.136 115.463 -2.327 18714 1107 1 3 . 1 1 55 55 SER HA H 55 4.063 4.063 4.160 -0.097 18714 1108 1 3 . 1 1 55 55 SER C C 55 177.571 177.571 176.789 0.782 18714 1109 1 3 . 1 1 55 55 SER CA C 55 62.419 62.419 61.834 0.585 18714 1110 1 3 . 1 1 55 55 SER CB C 55 62.673 62.673 62.848 -0.175 18714 1111 1 3 . 1 1 55 55 SER H H 55 8.136 8.136 7.634 0.502 18714 1112 1 3 . 1 1 56 56 ASP N N 56 122.871 122.871 122.122 0.749 18714 1113 1 3 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.406 -0.108 18714 1114 1 3 . 1 1 56 56 ASP C C 56 178.085 178.085 178.528 -0.443 18714 1115 1 3 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.602 -0.639 18714 1116 1 3 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.476 -0.755 18714 1117 1 3 . 1 1 56 56 ASP H H 56 9.091 9.091 8.134 0.957 18714 1118 1 3 . 1 1 57 57 THR N N 57 118.957 118.957 115.314 3.643 18714 1119 1 3 . 1 1 57 57 THR HA H 57 3.335 3.335 3.724 -0.389 18714 1120 1 3 . 1 1 57 57 THR C C 57 175.925 175.925 175.917 0.008 18714 1121 1 3 . 1 1 57 57 THR CA C 57 67.064 67.064 65.474 1.590 18714 1122 1 3 . 1 1 57 57 THR CB C 57 67.387 67.387 67.609 -0.222 18714 1123 1 3 . 1 1 57 57 THR H H 57 7.926 7.926 7.794 0.132 18714 1124 1 3 . 1 1 58 58 ARG N N 58 120.980 120.980 122.389 -1.409 18714 1125 1 3 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.367 -0.166 18714 1126 1 3 . 1 1 58 58 ARG C C 58 179.536 179.536 178.358 1.178 18714 1127 1 3 . 1 1 58 58 ARG CA C 58 59.976 59.976 57.994 1.982 18714 1128 1 3 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.671 1.723 18714 1129 1 3 . 1 1 58 58 ARG H H 58 8.139 8.139 7.375 0.764 18714 1130 1 3 . 1 1 59 59 TYR N N 59 119.449 119.449 120.890 -1.441 18714 1131 1 3 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.178 -0.034 18714 1132 1 3 . 1 1 59 59 TYR C C 59 178.075 178.075 177.210 0.865 18714 1133 1 3 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.202 0.118 18714 1134 1 3 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.471 -0.469 18714 1135 1 3 . 1 1 59 59 TYR H H 59 8.004 8.004 8.023 -0.019 18714 1136 1 3 . 1 1 60 60 ASN N N 60 118.169 118.169 116.689 1.480 18714 1137 1 3 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.160 0.194 18714 1138 1 3 . 1 1 60 60 ASN C C 60 177.005 177.005 177.442 -0.437 18714 1139 1 3 . 1 1 60 60 ASN CA C 60 55.160 55.160 56.584 -1.424 18714 1140 1 3 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.264 0.028 18714 1141 1 3 . 1 1 60 60 ASN H H 60 8.354 8.354 7.763 0.591 18714 1142 1 3 . 1 1 61 61 GLN N N 61 118.671 118.671 117.101 1.570 18714 1143 1 3 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.079 0.062 18714 1144 1 3 . 1 1 61 61 GLN C C 61 177.046 177.046 178.114 -1.068 18714 1145 1 3 . 1 1 61 61 GLN CA C 61 57.217 57.217 58.456 -1.239 18714 1146 1 3 . 1 1 61 61 GLN CB C 61 28.466 28.466 29.066 -0.600 18714 1147 1 3 . 1 1 61 61 GLN H H 61 7.971 7.971 7.545 0.426 18714 1148 1 3 . 1 1 62 62 ARG N N 62 119.140 119.140 115.190 3.950 18714 1149 1 3 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.222 -0.033 18714 1150 1 3 . 1 1 62 62 ARG C C 62 176.655 176.655 176.658 -0.003 18714 1151 1 3 . 1 1 62 62 ARG CA C 62 57.462 57.462 57.363 0.099 18714 1152 1 3 . 1 1 62 62 ARG CB C 62 29.896 29.896 29.833 0.063 18714 1153 1 3 . 1 1 62 62 ARG H H 62 7.690 7.690 7.273 0.417 18714 1154 1 3 . 1 1 63 63 ASN N N 63 117.472 117.472 116.973 0.499 18714 1155 1 3 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.472 0.262 18714 1156 1 3 . 1 1 63 63 ASN C C 63 175.194 175.194 175.286 -0.092 18714 1157 1 3 . 1 1 63 63 ASN CA C 63 53.141 53.141 53.640 -0.499 18714 1158 1 3 . 1 1 63 63 ASN CB C 63 38.875 38.875 39.787 -0.912 18714 1159 1 3 . 1 1 63 63 ASN H H 63 8.003 8.003 7.702 0.301 18714 1160 1 3 . 1 1 64 64 SER N N 64 115.768 115.768 117.290 -1.522 18714 1161 1 3 . 1 1 64 64 SER HA H 64 4.402 4.402 4.438 -0.036 18714 1162 1 3 . 1 1 64 64 SER C C 64 174.721 174.721 176.062 -1.341 18714 1163 1 3 . 1 1 64 64 SER CA C 64 58.758 58.758 58.459 0.299 18714 1164 1 3 . 1 1 64 64 SER CB C 64 63.620 63.620 64.094 -0.474 18714 1165 1 3 . 1 1 64 64 SER H H 64 7.942 7.942 7.729 0.213 18714 1166 1 3 . 1 1 65 65 LYS N N 65 122.579 122.579 126.947 -4.368 18714 1167 1 3 . 1 1 65 65 LYS HA H 65 4.310 4.310 3.928 0.382 18714 1168 1 3 . 1 1 65 65 LYS C C 65 176.665 176.665 176.813 -0.148 18714 1169 1 3 . 1 1 65 65 LYS CA C 65 56.366 56.366 58.106 -1.740 18714 1170 1 3 . 1 1 65 65 LYS CB C 65 33.054 33.054 32.649 0.405 18714 1171 1 3 . 1 1 65 65 LYS H H 65 8.319 8.319 8.636 -0.317 18714 1172 1 3 . 1 1 66 66 SER N N 66 115.560 115.560 113.660 1.900 18714 1173 1 3 . 1 1 66 66 SER HA H 66 4.425 4.425 4.220 0.205 18714 1174 1 3 . 1 1 66 66 SER CA C 66 58.577 58.577 58.758 -0.181 18714 1175 1 3 . 1 1 66 66 SER CB C 66 63.670 63.670 63.163 0.507 18714 1176 1 3 . 1 1 66 66 SER H H 66 8.184 8.184 8.056 0.128 18714 1177 1 3 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.778 -0.075 18714 1178 1 3 . 1 1 67 67 ASN C C 67 175.196 175.196 174.570 0.626 18714 1179 1 3 . 1 1 67 67 ASN CA C 67 53.417 53.417 53.308 0.109 18714 1180 1 3 . 1 1 67 67 ASN CB C 67 38.593 38.593 39.336 -0.743 18714 1181 1 3 . 1 1 68 68 GLN N N 68 120.106 120.106 125.426 -5.320 18714 1182 1 3 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.320 -0.017 18714 1183 1 3 . 1 1 68 68 GLN C C 68 175.708 175.708 175.354 0.354 18714 1184 1 3 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.680 0.492 18714 1185 1 3 . 1 1 68 68 GLN CB C 68 29.172 29.172 28.548 0.624 18714 1186 1 3 . 1 1 68 68 GLN H H 68 8.283 8.283 8.639 -0.356 18714 1187 1 3 . 1 1 69 69 CYS N N 69 119.599 119.599 124.877 -5.278 18714 1188 1 3 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.243 0.161 18714 1189 1 3 . 1 1 69 69 CYS C C 69 174.412 174.412 174.152 0.260 18714 1190 1 3 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.618 -0.925 18714 1191 1 3 . 1 1 69 69 CYS CB C 69 27.610 27.610 28.675 -1.065 18714 1192 1 3 . 1 1 69 69 CYS H H 69 8.313 8.313 8.869 -0.556 18714 1193 1 3 . 1 1 70 70 LEU N N 70 123.832 123.832 121.235 2.597 18714 1194 1 3 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.247 0.020 18714 1195 1 3 . 1 1 70 70 LEU C C 70 176.645 176.645 175.407 1.238 18714 1196 1 3 . 1 1 70 70 LEU CA C 70 55.283 55.283 54.959 0.324 18714 1197 1 3 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.343 -0.083 18714 1198 1 3 . 1 1 70 70 LEU H H 70 8.201 8.201 7.752 0.449 18714 1199 1 3 . 1 1 71 71 HIS N N 71 119.423 119.423 126.107 -6.684 18714 1200 1 3 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.728 -0.080 18714 1201 1 3 . 1 1 71 71 HIS C C 71 174.494 174.494 174.962 -0.468 18714 1202 1 3 . 1 1 71 71 HIS CA C 71 55.424 55.424 55.380 0.044 18714 1203 1 3 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.960 -0.274 18714 1204 1 3 . 1 1 71 71 HIS H H 71 8.308 8.308 8.567 -0.259 18714 1205 1 3 . 1 1 72 72 LEU N N 72 122.990 122.990 123.171 -0.181 18714 1206 1 3 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.537 -0.204 18714 1207 1 3 . 1 1 72 72 LEU C C 72 176.645 176.645 177.389 -0.744 18714 1208 1 3 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.006 0.975 18714 1209 1 3 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.509 -0.328 18714 1210 1 3 . 1 1 72 72 LEU H H 72 8.146 8.146 8.388 -0.242 18714 1211 1 3 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.636 0.097 18714 1212 1 3 . 1 1 73 73 ASN C C 73 173.774 173.774 174.695 -0.921 18714 1213 1 3 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.165 -0.132 18714 1214 1 3 . 1 1 73 73 ASN CB C 73 38.928 38.928 38.092 0.836 18714 1215 1 3 . 1 1 73 73 ASN H H 73 8.428 8.428 8.373 0.055 18714 1216 1 4 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.340 0.044 18714 1217 1 4 . 1 1 4 4 PRO C C 4 176.388 176.388 176.242 0.146 18714 1218 1 4 . 1 1 4 4 PRO CA C 4 63.097 63.097 63.307 -0.210 18714 1219 1 4 . 1 1 4 4 PRO CB C 4 32.056 32.056 31.363 0.693 18714 1220 1 4 . 1 1 5 5 ASP N N 5 120.482 120.482 126.606 -6.124 18714 1221 1 4 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.640 -0.096 18714 1222 1 4 . 1 1 5 5 ASP C C 5 176.336 176.336 175.550 0.786 18714 1223 1 4 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.707 -0.385 18714 1224 1 4 . 1 1 5 5 ASP CB C 5 41.006 41.006 40.043 0.963 18714 1225 1 4 . 1 1 5 5 ASP H H 5 8.415 8.415 8.610 -0.195 18714 1226 1 4 . 1 1 6 6 SER N N 6 115.481 115.481 116.325 -0.844 18714 1227 1 4 . 1 1 6 6 SER HA H 6 4.326 4.326 4.492 -0.166 18714 1228 1 4 . 1 1 6 6 SER C C 6 174.494 174.494 174.125 0.369 18714 1229 1 4 . 1 1 6 6 SER CA C 6 58.559 58.559 57.269 1.290 18714 1230 1 4 . 1 1 6 6 SER CB C 6 63.461 63.461 64.284 -0.823 18714 1231 1 4 . 1 1 6 6 SER H H 6 8.146 8.146 7.742 0.404 18714 1232 1 4 . 1 1 7 7 PHE N N 7 121.475 121.475 120.735 0.740 18714 1233 1 4 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.620 -0.061 18714 1234 1 4 . 1 1 7 7 PHE C C 7 176.285 176.285 176.225 0.060 18714 1235 1 4 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.914 0.313 18714 1236 1 4 . 1 1 7 7 PHE CB C 7 39.213 39.213 39.400 -0.187 18714 1237 1 4 . 1 1 7 7 PHE H H 7 8.236 8.236 8.677 -0.441 18714 1238 1 4 . 1 1 8 8 GLY N N 8 109.715 109.715 110.455 -0.740 18714 1239 1 4 . 1 1 8 8 GLY C C 8 174.124 174.124 174.133 -0.009 18714 1240 1 4 . 1 1 8 8 GLY CA C 8 45.366 45.366 45.192 0.174 18714 1241 1 4 . 1 1 8 8 GLY H H 8 8.256 8.256 7.743 0.513 18714 1242 1 4 . 1 1 9 9 ILE N N 9 120.361 120.361 120.868 -0.507 18714 1243 1 4 . 1 1 9 9 ILE HA H 9 4.112 4.112 3.781 0.331 18714 1244 1 4 . 1 1 9 9 ILE C C 9 176.429 176.429 176.875 -0.446 18714 1245 1 4 . 1 1 9 9 ILE CA C 9 61.453 61.453 62.018 -0.565 18714 1246 1 4 . 1 1 9 9 ILE CB C 9 38.386 38.386 36.323 2.063 18714 1247 1 4 . 1 1 9 9 ILE H H 9 7.975 7.975 8.131 -0.156 18714 1248 1 4 . 1 1 10 10 ARG N N 10 124.698 124.698 125.837 -1.139 18714 1249 1 4 . 1 1 10 10 ARG HA H 10 4.326 4.326 3.819 0.507 18714 1250 1 4 . 1 1 10 10 ARG C C 10 175.925 175.925 175.717 0.208 18714 1251 1 4 . 1 1 10 10 ARG CA C 10 55.824 55.824 58.330 -2.506 18714 1252 1 4 . 1 1 10 10 ARG CB C 10 30.482 30.482 29.012 1.470 18714 1253 1 4 . 1 1 10 10 ARG H H 10 8.407 8.407 8.594 -0.187 18714 1254 1 4 . 1 1 11 11 ALA N N 11 124.966 124.966 124.738 0.228 18714 1255 1 4 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.207 0.066 18714 1256 1 4 . 1 1 11 11 ALA C C 11 177.715 177.715 176.218 1.497 18714 1257 1 4 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.451 0.074 18714 1258 1 4 . 1 1 11 11 ALA CB C 11 19.094 19.094 18.354 0.740 18714 1259 1 4 . 1 1 11 11 ALA H H 11 8.257 8.257 7.989 0.268 18714 1260 1 4 . 1 1 12 12 LYS N N 12 120.850 120.850 123.240 -2.390 18714 1261 1 4 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.486 -0.161 18714 1262 1 4 . 1 1 12 12 LYS C C 12 176.655 176.655 175.291 1.364 18714 1263 1 4 . 1 1 12 12 LYS CA C 12 56.114 56.114 55.594 0.520 18714 1264 1 4 . 1 1 12 12 LYS CB C 12 32.985 32.985 34.601 -1.616 18714 1265 1 4 . 1 1 12 12 LYS H H 12 8.217 8.217 7.754 0.463 18714 1266 1 4 . 1 1 13 13 LYS N N 13 122.258 122.258 123.254 -0.996 18714 1267 1 4 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.620 -0.012 18714 1268 1 4 . 1 1 13 13 LYS C C 13 177.005 177.005 176.050 0.955 18714 1269 1 4 . 1 1 13 13 LYS CA C 13 55.875 55.875 54.867 1.008 18714 1270 1 4 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.665 2.066 18714 1271 1 4 . 1 1 13 13 LYS H H 13 8.317 8.317 8.433 -0.116 18714 1272 1 4 . 1 1 14 14 THR N N 14 113.409 113.409 116.788 -3.379 18714 1273 1 4 . 1 1 14 14 THR HA H 14 4.387 4.387 4.598 -0.211 18714 1274 1 4 . 1 1 14 14 THR C C 14 175.215 175.215 175.432 -0.217 18714 1275 1 4 . 1 1 14 14 THR CA C 14 61.057 61.057 60.690 0.367 18714 1276 1 4 . 1 1 14 14 THR CB C 14 70.754 70.754 71.132 -0.378 18714 1277 1 4 . 1 1 14 14 THR H H 14 8.747 8.747 8.779 -0.032 18714 1278 1 4 . 1 1 15 15 LYS N N 15 120.711 120.711 121.568 -0.857 18714 1279 1 4 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.077 -0.114 18714 1280 1 4 . 1 1 15 15 LYS C C 15 178.898 178.898 178.773 0.125 18714 1281 1 4 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.436 0.151 18714 1282 1 4 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.199 -0.183 18714 1283 1 4 . 1 1 15 15 LYS H H 15 8.804 8.804 8.780 0.024 18714 1284 1 4 . 1 1 16 16 GLU N N 16 119.447 119.447 117.965 1.482 18714 1285 1 4 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.033 0.010 18714 1286 1 4 . 1 1 16 16 GLU C C 16 179.536 179.536 179.052 0.484 18714 1287 1 4 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.420 0.691 18714 1288 1 4 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.103 -0.406 18714 1289 1 4 . 1 1 16 16 GLU H H 16 8.715 8.715 8.514 0.201 18714 1290 1 4 . 1 1 17 17 GLN N N 17 119.610 119.610 119.022 0.588 18714 1291 1 4 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.966 -0.105 18714 1292 1 4 . 1 1 17 17 GLN C C 17 177.725 177.725 178.507 -0.782 18714 1293 1 4 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.675 0.210 18714 1294 1 4 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.783 -0.082 18714 1295 1 4 . 1 1 17 17 GLN H H 17 7.811 7.811 7.752 0.059 18714 1296 1 4 . 1 1 18 18 LEU N N 18 116.893 116.893 119.727 -2.834 18714 1297 1 4 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.673 -0.089 18714 1298 1 4 . 1 1 18 18 LEU C C 18 178.250 178.250 178.124 0.126 18714 1299 1 4 . 1 1 18 18 LEU CA C 18 57.228 57.228 56.953 0.275 18714 1300 1 4 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.925 -0.262 18714 1301 1 4 . 1 1 18 18 LEU H H 18 8.190 8.190 8.081 0.109 18714 1302 1 4 . 1 1 19 19 ALA N N 19 120.561 120.561 121.314 -0.753 18714 1303 1 4 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.950 0.037 18714 1304 1 4 . 1 1 19 19 ALA C C 19 180.071 180.071 179.684 0.387 18714 1305 1 4 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.246 -0.115 18714 1306 1 4 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.983 -0.062 18714 1307 1 4 . 1 1 19 19 ALA H H 19 8.013 8.013 7.867 0.146 18714 1308 1 4 . 1 1 20 20 GLU N N 20 115.648 115.648 118.466 -2.818 18714 1309 1 4 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.012 0.025 18714 1310 1 4 . 1 1 20 20 GLU C C 20 179.526 179.526 179.040 0.486 18714 1311 1 4 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.752 -0.808 18714 1312 1 4 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.136 -0.276 18714 1313 1 4 . 1 1 20 20 GLU H H 20 7.165 7.165 7.568 -0.403 18714 1314 1 4 . 1 1 21 21 LEU N N 21 120.140 120.140 119.270 0.870 18714 1315 1 4 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.743 -0.185 18714 1316 1 4 . 1 1 21 21 LEU C C 21 177.344 177.344 178.695 -1.351 18714 1317 1 4 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.209 0.702 18714 1318 1 4 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.376 -2.544 18714 1319 1 4 . 1 1 21 21 LEU H H 21 7.428 7.428 7.306 0.122 18714 1320 1 4 . 1 1 22 22 LYS N N 22 117.352 117.352 119.574 -2.222 18714 1321 1 4 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.275 -0.299 18714 1322 1 4 . 1 1 22 22 LYS C C 22 178.805 178.805 179.112 -0.307 18714 1323 1 4 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.608 0.674 18714 1324 1 4 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.312 -0.138 18714 1325 1 4 . 1 1 22 22 LYS H H 22 8.021 8.021 7.246 0.775 18714 1326 1 4 . 1 1 23 23 VAL N N 23 117.470 117.470 119.645 -2.175 18714 1327 1 4 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.752 -0.055 18714 1328 1 4 . 1 1 23 23 VAL C C 23 178.291 178.291 178.271 0.020 18714 1329 1 4 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.309 0.111 18714 1330 1 4 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.767 0.943 18714 1331 1 4 . 1 1 23 23 VAL H H 23 7.618 7.618 7.835 -0.217 18714 1332 1 4 . 1 1 24 24 SER N N 24 113.371 113.371 116.029 -2.658 18714 1333 1 4 . 1 1 24 24 SER HA H 24 4.247 4.247 4.266 -0.019 18714 1334 1 4 . 1 1 24 24 SER C C 24 177.015 177.015 176.336 0.679 18714 1335 1 4 . 1 1 24 24 SER CA C 24 61.550 61.550 61.886 -0.337 18714 1336 1 4 . 1 1 24 24 SER CB C 24 62.987 62.987 63.284 -0.297 18714 1337 1 4 . 1 1 24 24 SER H H 24 7.340 7.340 7.705 -0.365 18714 1338 1 4 . 1 1 25 25 TYR N N 25 120.532 120.532 123.594 -3.062 18714 1339 1 4 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.506 -0.254 18714 1340 1 4 . 1 1 25 25 TYR C C 25 176.470 176.470 177.520 -1.050 18714 1341 1 4 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.522 0.273 18714 1342 1 4 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.834 -0.223 18714 1343 1 4 . 1 1 25 25 TYR H H 25 8.888 8.888 7.997 0.891 18714 1344 1 4 . 1 1 26 26 LEU N N 26 115.079 115.079 117.245 -2.166 18714 1345 1 4 . 1 1 26 26 LEU HA H 26 4.035 4.035 4.098 -0.063 18714 1346 1 4 . 1 1 26 26 LEU C C 26 179.021 179.021 178.408 0.613 18714 1347 1 4 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.576 0.274 18714 1348 1 4 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.882 0.101 18714 1349 1 4 . 1 1 26 26 LEU H H 26 7.953 7.953 8.279 -0.326 18714 1350 1 4 . 1 1 27 27 LYS N N 27 119.058 119.058 118.938 0.120 18714 1351 1 4 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.279 -0.110 18714 1352 1 4 . 1 1 27 27 LYS C C 27 177.375 177.375 176.492 0.883 18714 1353 1 4 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.536 0.965 18714 1354 1 4 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.400 -0.767 18714 1355 1 4 . 1 1 27 27 LYS H H 27 7.503 7.503 7.705 -0.202 18714 1356 1 4 . 1 1 28 28 ASN N N 28 116.296 116.296 115.528 0.768 18714 1357 1 4 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.883 -0.363 18714 1358 1 4 . 1 1 28 28 ASN C C 28 174.134 174.134 174.782 -0.648 18714 1359 1 4 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.306 1.399 18714 1360 1 4 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.118 -0.752 18714 1361 1 4 . 1 1 28 28 ASN H H 28 8.163 8.163 7.947 0.216 18714 1362 1 4 . 1 1 29 29 GLN N N 29 123.819 123.819 121.103 2.716 18714 1363 1 4 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.641 0.209 18714 1364 1 4 . 1 1 29 29 GLN C C 29 173.785 173.785 174.957 -1.172 18714 1365 1 4 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.635 -0.033 18714 1366 1 4 . 1 1 29 29 GLN CB C 29 28.230 28.230 29.033 -0.803 18714 1367 1 4 . 1 1 29 29 GLN H H 29 8.560 8.560 8.458 0.102 18714 1368 1 4 . 1 1 30 30 PHE N N 30 116.997 116.997 117.894 -0.897 18714 1369 1 4 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.457 0.285 18714 1370 1 4 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.942 -1.472 18714 1371 1 4 . 1 1 30 30 PHE CB C 30 39.136 39.136 40.245 -1.109 18714 1372 1 4 . 1 1 30 30 PHE H H 30 8.014 8.014 7.512 0.502 18714 1373 1 4 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.536 -0.557 18714 1374 1 4 . 1 1 31 31 PRO C C 31 177.285 177.285 175.968 1.317 18714 1375 1 4 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.113 0.151 18714 1376 1 4 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.463 -1.686 18714 1377 1 4 . 1 1 32 32 HIS N N 32 120.779 120.779 117.053 3.726 18714 1378 1 4 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.549 0.026 18714 1379 1 4 . 1 1 32 32 HIS C C 32 176.601 176.601 176.705 -0.104 18714 1380 1 4 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.517 -1.101 18714 1381 1 4 . 1 1 32 32 HIS CB C 32 31.396 31.396 32.036 -0.640 18714 1382 1 4 . 1 1 32 32 HIS H H 32 8.401 8.401 8.622 -0.221 18714 1383 1 4 . 1 1 33 33 ASP N N 33 124.390 124.390 121.878 2.512 18714 1384 1 4 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.466 -0.190 18714 1385 1 4 . 1 1 33 33 ASP C C 33 178.064 178.064 178.078 -0.014 18714 1386 1 4 . 1 1 33 33 ASP CA C 33 58.486 58.486 57.175 1.311 18714 1387 1 4 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.779 -0.328 18714 1388 1 4 . 1 1 33 33 ASP H H 33 8.691 8.691 8.830 -0.139 18714 1389 1 4 . 1 1 34 34 SER N N 34 114.256 114.256 115.312 -1.056 18714 1390 1 4 . 1 1 34 34 SER HA H 34 4.109 4.109 4.101 0.008 18714 1391 1 4 . 1 1 34 34 SER C C 34 176.645 176.645 176.351 0.294 18714 1392 1 4 . 1 1 34 34 SER CA C 34 60.282 60.282 61.365 -1.083 18714 1393 1 4 . 1 1 34 34 SER CB C 34 61.931 61.931 62.778 -0.847 18714 1394 1 4 . 1 1 34 34 SER H H 34 9.494 9.494 8.439 1.055 18714 1395 1 4 . 1 1 35 35 GLU N N 35 126.075 126.075 122.911 3.164 18714 1396 1 4 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.172 0.731 18714 1397 1 4 . 1 1 35 35 GLU C C 35 177.715 177.715 178.727 -1.012 18714 1398 1 4 . 1 1 35 35 GLU CA C 35 56.884 56.884 58.731 -1.847 18714 1399 1 4 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.328 -0.808 18714 1400 1 4 . 1 1 35 35 GLU H H 35 7.493 7.493 7.723 -0.230 18714 1401 1 4 . 1 1 36 36 ILE N N 36 120.906 120.906 119.976 0.930 18714 1402 1 4 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.854 -0.251 18714 1403 1 4 . 1 1 36 36 ILE C C 36 177.725 177.725 178.119 -0.394 18714 1404 1 4 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.133 -0.188 18714 1405 1 4 . 1 1 36 36 ILE CB C 36 35.873 35.873 38.099 -2.226 18714 1406 1 4 . 1 1 36 36 ILE H H 36 7.697 7.697 7.466 0.231 18714 1407 1 4 . 1 1 37 37 ILE N N 37 119.451 119.451 120.382 -0.931 18714 1408 1 4 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.751 0.208 18714 1409 1 4 . 1 1 37 37 ILE C C 37 178.085 178.085 178.015 0.070 18714 1410 1 4 . 1 1 37 37 ILE CA C 37 64.734 64.734 64.854 -0.120 18714 1411 1 4 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.450 0.331 18714 1412 1 4 . 1 1 37 37 ILE H H 37 8.229 8.229 7.913 0.316 18714 1413 1 4 . 1 1 38 38 ARG N N 38 122.344 122.344 120.797 1.547 18714 1414 1 4 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.008 -0.040 18714 1415 1 4 . 1 1 38 38 ARG C C 38 179.165 179.165 178.703 0.462 18714 1416 1 4 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.768 0.153 18714 1417 1 4 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.084 0.579 18714 1418 1 4 . 1 1 38 38 ARG H H 38 7.664 7.664 7.719 -0.055 18714 1419 1 4 . 1 1 39 39 LEU N N 39 117.479 117.479 118.712 -1.233 18714 1420 1 4 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.983 0.043 18714 1421 1 4 . 1 1 39 39 LEU C C 39 181.316 181.316 179.006 2.310 18714 1422 1 4 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.622 -0.042 18714 1423 1 4 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.772 1.612 18714 1424 1 4 . 1 1 39 39 LEU H H 39 8.629 8.629 7.576 1.053 18714 1425 1 4 . 1 1 40 40 MET N N 40 126.468 126.468 118.319 8.149 18714 1426 1 4 . 1 1 40 40 MET HA H 40 3.957 3.957 4.101 -0.144 18714 1427 1 4 . 1 1 40 40 MET C C 40 178.466 178.466 179.020 -0.554 18714 1428 1 4 . 1 1 40 40 MET CA C 40 60.109 60.109 59.116 0.993 18714 1429 1 4 . 1 1 40 40 MET CB C 40 34.065 34.065 32.611 1.454 18714 1430 1 4 . 1 1 40 40 MET H H 40 9.112 9.112 8.080 1.032 18714 1431 1 4 . 1 1 41 41 LYS N N 41 119.282 119.282 118.446 0.836 18714 1432 1 4 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.092 -0.052 18714 1433 1 4 . 1 1 41 41 LYS C C 41 178.805 178.805 177.605 1.200 18714 1434 1 4 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.757 0.458 18714 1435 1 4 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.381 -0.254 18714 1436 1 4 . 1 1 41 41 LYS H H 41 7.721 7.721 7.850 -0.129 18714 1437 1 4 . 1 1 42 42 ILE N N 42 114.582 114.582 118.804 -4.222 18714 1438 1 4 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.152 -0.002 18714 1439 1 4 . 1 1 42 42 ILE C C 42 177.365 177.365 177.951 -0.586 18714 1440 1 4 . 1 1 42 42 ILE CA C 42 62.717 62.717 62.580 0.138 18714 1441 1 4 . 1 1 42 42 ILE CB C 42 38.830 38.830 38.207 0.623 18714 1442 1 4 . 1 1 42 42 ILE H H 42 7.804 7.804 7.412 0.392 18714 1443 1 4 . 1 1 43 43 THR N N 43 107.511 107.511 111.557 -4.046 18714 1444 1 4 . 1 1 43 43 THR HA H 43 4.536 4.536 4.281 0.255 18714 1445 1 4 . 1 1 43 43 THR C C 43 176.120 176.120 176.229 -0.109 18714 1446 1 4 . 1 1 43 43 THR CA C 43 63.136 63.136 63.049 0.087 18714 1447 1 4 . 1 1 43 43 THR CB C 43 72.060 72.060 69.847 2.213 18714 1448 1 4 . 1 1 43 43 THR H H 43 8.313 8.313 8.180 0.133 18714 1449 1 4 . 1 1 44 44 GLY N N 44 111.235 111.235 110.974 0.261 18714 1450 1 4 . 1 1 44 44 GLY C C 44 174.134 174.134 174.449 -0.315 18714 1451 1 4 . 1 1 44 44 GLY CA C 44 45.805 45.805 45.702 0.103 18714 1452 1 4 . 1 1 44 44 GLY H H 44 8.055 8.055 7.866 0.189 18714 1453 1 4 . 1 1 45 45 LEU N N 45 120.586 120.586 118.631 1.955 18714 1454 1 4 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.521 -0.016 18714 1455 1 4 . 1 1 45 45 LEU C C 45 176.634 176.634 176.750 -0.116 18714 1456 1 4 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.955 -0.198 18714 1457 1 4 . 1 1 45 45 LEU CB C 45 43.306 43.306 43.012 0.294 18714 1458 1 4 . 1 1 45 45 LEU H H 45 7.708 7.708 7.487 0.221 18714 1459 1 4 . 1 1 46 46 THR N N 46 109.308 109.308 109.350 -0.042 18714 1460 1 4 . 1 1 46 46 THR HA H 46 4.325 4.325 4.736 -0.411 18714 1461 1 4 . 1 1 46 46 THR C C 46 175.215 175.215 175.014 0.201 18714 1462 1 4 . 1 1 46 46 THR CA C 46 60.914 60.914 60.075 0.839 18714 1463 1 4 . 1 1 46 46 THR CB C 46 71.237 71.237 71.880 -0.644 18714 1464 1 4 . 1 1 46 46 THR H H 46 8.570 8.570 8.444 0.126 18714 1465 1 4 . 1 1 47 47 LYS N N 47 121.342 121.342 121.919 -0.577 18714 1466 1 4 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.973 -0.287 18714 1467 1 4 . 1 1 47 47 LYS C C 47 178.805 178.805 178.183 0.622 18714 1468 1 4 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.797 0.995 18714 1469 1 4 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.249 0.085 18714 1470 1 4 . 1 1 47 47 LYS H H 47 8.797 8.797 8.921 -0.124 18714 1471 1 4 . 1 1 48 48 GLY N N 48 104.143 104.143 106.868 -2.725 18714 1472 1 4 . 1 1 48 48 GLY C C 48 177.149 177.149 176.394 0.755 18714 1473 1 4 . 1 1 48 48 GLY CA C 48 46.889 46.889 47.155 -0.266 18714 1474 1 4 . 1 1 48 48 GLY H H 48 8.715 8.715 7.814 0.901 18714 1475 1 4 . 1 1 49 49 GLU N N 49 121.943 121.943 121.842 0.101 18714 1476 1 4 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.119 -0.029 18714 1477 1 4 . 1 1 49 49 GLU C C 49 179.886 179.886 179.433 0.453 18714 1478 1 4 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.278 -0.095 18714 1479 1 4 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.401 1.289 18714 1480 1 4 . 1 1 49 49 GLU H H 49 7.851 7.851 7.685 0.166 18714 1481 1 4 . 1 1 50 50 ILE N N 50 121.748 121.748 120.712 1.036 18714 1482 1 4 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.510 0.250 18714 1483 1 4 . 1 1 50 50 ILE C C 50 177.735 177.735 177.586 0.149 18714 1484 1 4 . 1 1 50 50 ILE CA C 50 66.118 66.118 64.933 1.185 18714 1485 1 4 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.566 0.546 18714 1486 1 4 . 1 1 50 50 ILE H H 50 8.224 8.224 7.422 0.802 18714 1487 1 4 . 1 1 51 51 LYS N N 51 119.119 119.119 120.064 -0.945 18714 1488 1 4 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.247 -0.186 18714 1489 1 4 . 1 1 51 51 LYS C C 51 179.526 179.526 179.320 0.206 18714 1490 1 4 . 1 1 51 51 LYS CA C 51 61.120 61.120 58.870 2.250 18714 1491 1 4 . 1 1 51 51 LYS CB C 51 31.896 31.896 31.935 -0.039 18714 1492 1 4 . 1 1 51 51 LYS H H 51 8.842 8.842 8.250 0.592 18714 1493 1 4 . 1 1 52 52 LYS N N 52 120.252 120.252 120.052 0.200 18714 1494 1 4 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.147 0.047 18714 1495 1 4 . 1 1 52 52 LYS C C 52 176.830 176.830 178.870 -2.040 18714 1496 1 4 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.676 -0.926 18714 1497 1 4 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.083 0.304 18714 1498 1 4 . 1 1 52 52 LYS H H 52 8.208 8.208 7.904 0.304 18714 1499 1 4 . 1 1 53 53 TRP N N 53 120.333 120.333 122.021 -1.688 18714 1500 1 4 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.242 -0.053 18714 1501 1 4 . 1 1 53 53 TRP C C 53 180.266 180.266 178.275 1.991 18714 1502 1 4 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.646 1.073 18714 1503 1 4 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.240 -1.086 18714 1504 1 4 . 1 1 53 53 TRP H H 53 8.132 8.132 7.709 0.423 18714 1505 1 4 . 1 1 54 54 PHE N N 54 120.742 120.742 116.382 4.360 18714 1506 1 4 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.905 -0.191 18714 1507 1 4 . 1 1 54 54 PHE C C 54 177.488 177.488 178.249 -0.761 18714 1508 1 4 . 1 1 54 54 PHE CA C 54 63.893 63.893 60.898 2.995 18714 1509 1 4 . 1 1 54 54 PHE CB C 54 39.402 39.402 37.972 1.430 18714 1510 1 4 . 1 1 54 54 PHE H H 54 8.903 8.903 8.030 0.873 18714 1511 1 4 . 1 1 55 55 SER N N 55 113.136 113.136 115.700 -2.564 18714 1512 1 4 . 1 1 55 55 SER HA H 55 4.063 4.063 4.347 -0.284 18714 1513 1 4 . 1 1 55 55 SER C C 55 177.571 177.571 176.498 1.073 18714 1514 1 4 . 1 1 55 55 SER CA C 55 62.419 62.419 62.102 0.317 18714 1515 1 4 . 1 1 55 55 SER CB C 55 62.673 62.673 63.209 -0.536 18714 1516 1 4 . 1 1 55 55 SER H H 55 8.136 8.136 7.917 0.219 18714 1517 1 4 . 1 1 56 56 ASP N N 56 122.871 122.871 121.832 1.039 18714 1518 1 4 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.485 -0.187 18714 1519 1 4 . 1 1 56 56 ASP C C 56 178.085 178.085 178.468 -0.383 18714 1520 1 4 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.517 -0.554 18714 1521 1 4 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.517 -0.796 18714 1522 1 4 . 1 1 56 56 ASP H H 56 9.091 9.091 8.101 0.990 18714 1523 1 4 . 1 1 57 57 THR N N 57 118.957 118.957 115.533 3.424 18714 1524 1 4 . 1 1 57 57 THR HA H 57 3.335 3.335 3.769 -0.434 18714 1525 1 4 . 1 1 57 57 THR C C 57 175.925 175.925 175.930 -0.005 18714 1526 1 4 . 1 1 57 57 THR CA C 57 67.064 67.064 65.766 1.298 18714 1527 1 4 . 1 1 57 57 THR CB C 57 67.387 67.387 67.794 -0.407 18714 1528 1 4 . 1 1 57 57 THR H H 57 7.926 7.926 7.957 -0.031 18714 1529 1 4 . 1 1 58 58 ARG N N 58 120.980 120.980 122.175 -1.195 18714 1530 1 4 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.232 -0.031 18714 1531 1 4 . 1 1 58 58 ARG C C 58 179.536 179.536 178.490 1.046 18714 1532 1 4 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.656 0.320 18714 1533 1 4 . 1 1 58 58 ARG CB C 58 31.394 31.394 30.083 1.311 18714 1534 1 4 . 1 1 58 58 ARG H H 58 8.139 8.139 7.421 0.718 18714 1535 1 4 . 1 1 59 59 TYR N N 59 119.449 119.449 120.634 -1.185 18714 1536 1 4 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.157 -0.013 18714 1537 1 4 . 1 1 59 59 TYR C C 59 178.075 178.075 177.036 1.039 18714 1538 1 4 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.119 0.201 18714 1539 1 4 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.436 -0.434 18714 1540 1 4 . 1 1 59 59 TYR H H 59 8.004 8.004 7.803 0.201 18714 1541 1 4 . 1 1 60 60 ASN N N 60 118.169 118.169 116.464 1.705 18714 1542 1 4 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.357 -0.003 18714 1543 1 4 . 1 1 60 60 ASN C C 60 177.005 177.005 176.782 0.223 18714 1544 1 4 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.931 -0.771 18714 1545 1 4 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.443 -0.151 18714 1546 1 4 . 1 1 60 60 ASN H H 60 8.354 8.354 7.896 0.458 18714 1547 1 4 . 1 1 61 61 GLN N N 61 118.671 118.671 117.749 0.922 18714 1548 1 4 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.130 0.011 18714 1549 1 4 . 1 1 61 61 GLN C C 61 177.046 177.046 178.249 -1.203 18714 1550 1 4 . 1 1 61 61 GLN CA C 61 57.217 57.217 58.133 -0.916 18714 1551 1 4 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.813 -0.347 18714 1552 1 4 . 1 1 61 61 GLN H H 61 7.971 7.971 7.535 0.436 18714 1553 1 4 . 1 1 62 62 ARG N N 62 119.140 119.140 117.844 1.296 18714 1554 1 4 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.132 0.057 18714 1555 1 4 . 1 1 62 62 ARG C C 62 176.655 176.655 177.544 -0.889 18714 1556 1 4 . 1 1 62 62 ARG CA C 62 57.462 57.462 58.217 -0.755 18714 1557 1 4 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.007 -0.111 18714 1558 1 4 . 1 1 62 62 ARG H H 62 7.690 7.690 7.678 0.012 18714 1559 1 4 . 1 1 63 63 ASN N N 63 117.472 117.472 118.951 -1.479 18714 1560 1 4 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.703 0.031 18714 1561 1 4 . 1 1 63 63 ASN C C 63 175.194 175.194 174.425 0.769 18714 1562 1 4 . 1 1 63 63 ASN CA C 63 53.141 53.141 51.766 1.375 18714 1563 1 4 . 1 1 63 63 ASN CB C 63 38.875 38.875 38.259 0.616 18714 1564 1 4 . 1 1 63 63 ASN H H 63 8.003 8.003 7.815 0.188 18714 1565 1 4 . 1 1 64 64 SER N N 64 115.768 115.768 115.758 0.010 18714 1566 1 4 . 1 1 64 64 SER HA H 64 4.402 4.402 4.478 -0.076 18714 1567 1 4 . 1 1 64 64 SER C C 64 174.721 174.721 173.937 0.784 18714 1568 1 4 . 1 1 64 64 SER CA C 64 58.758 58.758 58.299 0.459 18714 1569 1 4 . 1 1 64 64 SER CB C 64 63.620 63.620 61.818 1.802 18714 1570 1 4 . 1 1 64 64 SER H H 64 7.942 7.942 8.019 -0.077 18714 1571 1 4 . 1 1 65 65 LYS N N 65 122.579 122.579 122.875 -0.296 18714 1572 1 4 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.309 0.001 18714 1573 1 4 . 1 1 65 65 LYS C C 65 176.665 176.665 175.246 1.419 18714 1574 1 4 . 1 1 65 65 LYS CA C 65 56.366 56.366 56.479 -0.113 18714 1575 1 4 . 1 1 65 65 LYS CB C 65 33.054 33.054 33.733 -0.679 18714 1576 1 4 . 1 1 65 65 LYS H H 65 8.319 8.319 7.668 0.651 18714 1577 1 4 . 1 1 66 66 SER N N 66 115.560 115.560 116.437 -0.877 18714 1578 1 4 . 1 1 66 66 SER HA H 66 4.425 4.425 4.141 0.284 18714 1579 1 4 . 1 1 66 66 SER CA C 66 58.577 58.577 58.748 -0.171 18714 1580 1 4 . 1 1 66 66 SER CB C 66 63.670 63.670 62.267 1.403 18714 1581 1 4 . 1 1 66 66 SER H H 66 8.184 8.184 8.692 -0.508 18714 1582 1 4 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.584 0.119 18714 1583 1 4 . 1 1 67 67 ASN C C 67 175.196 175.196 174.552 0.644 18714 1584 1 4 . 1 1 67 67 ASN CA C 67 53.417 53.417 53.451 -0.034 18714 1585 1 4 . 1 1 67 67 ASN CB C 67 38.593 38.593 38.186 0.407 18714 1586 1 4 . 1 1 68 68 GLN N N 68 120.106 120.106 123.452 -3.346 18714 1587 1 4 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.522 -0.219 18714 1588 1 4 . 1 1 68 68 GLN C C 68 175.708 175.708 174.736 0.972 18714 1589 1 4 . 1 1 68 68 GLN CA C 68 56.172 56.172 54.740 1.432 18714 1590 1 4 . 1 1 68 68 GLN CB C 68 29.172 29.172 30.442 -1.270 18714 1591 1 4 . 1 1 68 68 GLN H H 68 8.283 8.283 8.348 -0.065 18714 1592 1 4 . 1 1 69 69 CYS N N 69 119.599 119.599 120.449 -0.850 18714 1593 1 4 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.446 -0.042 18714 1594 1 4 . 1 1 69 69 CYS C C 69 174.412 174.412 174.798 -0.386 18714 1595 1 4 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.126 -0.433 18714 1596 1 4 . 1 1 69 69 CYS CB C 69 27.610 27.610 25.248 2.362 18714 1597 1 4 . 1 1 69 69 CYS H H 69 8.313 8.313 8.566 -0.253 18714 1598 1 4 . 1 1 70 70 LEU N N 70 123.832 123.832 127.038 -3.206 18714 1599 1 4 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.254 0.013 18714 1600 1 4 . 1 1 70 70 LEU C C 70 176.645 176.645 176.761 -0.116 18714 1601 1 4 . 1 1 70 70 LEU CA C 70 55.283 55.283 54.929 0.354 18714 1602 1 4 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.557 -0.298 18714 1603 1 4 . 1 1 70 70 LEU H H 70 8.201 8.201 8.249 -0.048 18714 1604 1 4 . 1 1 71 71 HIS N N 71 119.423 119.423 118.792 0.631 18714 1605 1 4 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.954 -0.306 18714 1606 1 4 . 1 1 71 71 HIS C C 71 174.494 174.494 174.729 -0.235 18714 1607 1 4 . 1 1 71 71 HIS CA C 71 55.424 55.424 55.392 0.032 18714 1608 1 4 . 1 1 71 71 HIS CB C 71 29.687 29.687 31.129 -1.442 18714 1609 1 4 . 1 1 71 71 HIS H H 71 8.308 8.308 8.210 0.098 18714 1610 1 4 . 1 1 72 72 LEU N N 72 122.990 122.990 121.151 1.839 18714 1611 1 4 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.672 -0.339 18714 1612 1 4 . 1 1 72 72 LEU C C 72 176.645 176.645 176.243 0.402 18714 1613 1 4 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.144 0.837 18714 1614 1 4 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.272 -0.091 18714 1615 1 4 . 1 1 72 72 LEU H H 72 8.146 8.146 8.395 -0.249 18714 1616 1 4 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.676 0.057 18714 1617 1 4 . 1 1 73 73 ASN C C 73 173.774 173.774 174.695 -0.921 18714 1618 1 4 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.212 -0.179 18714 1619 1 4 . 1 1 73 73 ASN CB C 73 38.928 38.928 38.519 0.409 18714 1620 1 4 . 1 1 73 73 ASN H H 73 8.428 8.428 8.706 -0.278 18714 1621 1 5 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.300 0.084 18714 1622 1 5 . 1 1 4 4 PRO C C 4 176.388 176.388 175.984 0.404 18714 1623 1 5 . 1 1 4 4 PRO CA C 4 63.097 63.097 63.263 -0.166 18714 1624 1 5 . 1 1 4 4 PRO CB C 4 32.056 32.056 31.036 1.020 18714 1625 1 5 . 1 1 5 5 ASP N N 5 120.482 120.482 124.872 -4.390 18714 1626 1 5 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.679 -0.135 18714 1627 1 5 . 1 1 5 5 ASP C C 5 176.336 176.336 176.544 -0.208 18714 1628 1 5 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.956 -0.634 18714 1629 1 5 . 1 1 5 5 ASP CB C 5 41.006 41.006 41.953 -0.947 18714 1630 1 5 . 1 1 5 5 ASP H H 5 8.415 8.415 8.154 0.261 18714 1631 1 5 . 1 1 6 6 SER N N 6 115.481 115.481 115.857 -0.376 18714 1632 1 5 . 1 1 6 6 SER HA H 6 4.326 4.326 4.155 0.171 18714 1633 1 5 . 1 1 6 6 SER C C 6 174.494 174.494 173.963 0.531 18714 1634 1 5 . 1 1 6 6 SER CA C 6 58.559 58.559 58.923 -0.364 18714 1635 1 5 . 1 1 6 6 SER CB C 6 63.461 63.461 62.489 0.972 18714 1636 1 5 . 1 1 6 6 SER H H 6 8.146 8.146 8.833 -0.687 18714 1637 1 5 . 1 1 7 7 PHE N N 7 121.475 121.475 123.696 -2.221 18714 1638 1 5 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.284 0.275 18714 1639 1 5 . 1 1 7 7 PHE C C 7 176.285 176.285 176.060 0.225 18714 1640 1 5 . 1 1 7 7 PHE CA C 7 58.227 58.227 58.834 -0.607 18714 1641 1 5 . 1 1 7 7 PHE CB C 7 39.213 39.213 38.724 0.489 18714 1642 1 5 . 1 1 7 7 PHE H H 7 8.236 8.236 8.081 0.155 18714 1643 1 5 . 1 1 8 8 GLY N N 8 109.715 109.715 115.725 -6.010 18714 1644 1 5 . 1 1 8 8 GLY C C 8 174.124 174.124 172.604 1.520 18714 1645 1 5 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.490 0.875 18714 1646 1 5 . 1 1 8 8 GLY H H 8 8.256 8.256 7.684 0.572 18714 1647 1 5 . 1 1 9 9 ILE N N 9 120.361 120.361 122.951 -2.590 18714 1648 1 5 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.112 0.000 18714 1649 1 5 . 1 1 9 9 ILE C C 9 176.429 176.429 176.304 0.125 18714 1650 1 5 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.034 0.419 18714 1651 1 5 . 1 1 9 9 ILE CB C 9 38.386 38.386 36.654 1.732 18714 1652 1 5 . 1 1 9 9 ILE H H 9 7.975 7.975 8.261 -0.286 18714 1653 1 5 . 1 1 10 10 ARG N N 10 124.698 124.698 124.027 0.671 18714 1654 1 5 . 1 1 10 10 ARG HA H 10 4.326 4.326 3.990 0.336 18714 1655 1 5 . 1 1 10 10 ARG C C 10 175.925 175.925 175.711 0.214 18714 1656 1 5 . 1 1 10 10 ARG CA C 10 55.824 55.824 56.263 -0.439 18714 1657 1 5 . 1 1 10 10 ARG CB C 10 30.482 30.482 28.594 1.888 18714 1658 1 5 . 1 1 10 10 ARG H H 10 8.407 8.407 8.759 -0.352 18714 1659 1 5 . 1 1 11 11 ALA N N 11 124.966 124.966 122.416 2.550 18714 1660 1 5 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.373 -0.100 18714 1661 1 5 . 1 1 11 11 ALA C C 11 177.715 177.715 176.553 1.162 18714 1662 1 5 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.128 0.397 18714 1663 1 5 . 1 1 11 11 ALA CB C 11 19.094 19.094 18.431 0.663 18714 1664 1 5 . 1 1 11 11 ALA H H 11 8.257 8.257 7.971 0.286 18714 1665 1 5 . 1 1 12 12 LYS N N 12 120.850 120.850 121.868 -1.018 18714 1666 1 5 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.510 -0.185 18714 1667 1 5 . 1 1 12 12 LYS C C 12 176.655 176.655 174.496 2.159 18714 1668 1 5 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.382 -0.268 18714 1669 1 5 . 1 1 12 12 LYS CB C 12 32.985 32.985 35.269 -2.284 18714 1670 1 5 . 1 1 12 12 LYS H H 12 8.217 8.217 7.699 0.518 18714 1671 1 5 . 1 1 13 13 LYS N N 13 122.258 122.258 126.455 -4.197 18714 1672 1 5 . 1 1 13 13 LYS HA H 13 4.608 4.608 5.061 -0.453 18714 1673 1 5 . 1 1 13 13 LYS C C 13 177.005 177.005 177.002 0.003 18714 1674 1 5 . 1 1 13 13 LYS CA C 13 55.875 55.875 54.856 1.018 18714 1675 1 5 . 1 1 13 13 LYS CB C 13 33.731 33.731 33.878 -0.147 18714 1676 1 5 . 1 1 13 13 LYS H H 13 8.317 8.317 8.364 -0.047 18714 1677 1 5 . 1 1 14 14 THR N N 14 113.409 113.409 117.858 -4.449 18714 1678 1 5 . 1 1 14 14 THR HA H 14 4.387 4.387 4.510 -0.123 18714 1679 1 5 . 1 1 14 14 THR C C 14 175.215 175.215 175.371 -0.156 18714 1680 1 5 . 1 1 14 14 THR CA C 14 61.057 61.057 60.918 0.139 18714 1681 1 5 . 1 1 14 14 THR CB C 14 70.754 70.754 70.708 0.046 18714 1682 1 5 . 1 1 14 14 THR H H 14 8.747 8.747 8.772 -0.025 18714 1683 1 5 . 1 1 15 15 LYS N N 15 120.711 120.711 121.663 -0.952 18714 1684 1 5 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.010 -0.047 18714 1685 1 5 . 1 1 15 15 LYS C C 15 178.898 178.898 178.802 0.096 18714 1686 1 5 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.572 0.015 18714 1687 1 5 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.454 -0.438 18714 1688 1 5 . 1 1 15 15 LYS H H 15 8.804 8.804 8.695 0.109 18714 1689 1 5 . 1 1 16 16 GLU N N 16 119.447 119.447 118.990 0.457 18714 1690 1 5 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.034 0.009 18714 1691 1 5 . 1 1 16 16 GLU C C 16 179.536 179.536 178.863 0.673 18714 1692 1 5 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.339 0.772 18714 1693 1 5 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.433 -0.736 18714 1694 1 5 . 1 1 16 16 GLU H H 16 8.715 8.715 8.407 0.308 18714 1695 1 5 . 1 1 17 17 GLN N N 17 119.610 119.610 118.996 0.614 18714 1696 1 5 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.946 -0.085 18714 1697 1 5 . 1 1 17 17 GLN C C 17 177.725 177.725 178.525 -0.800 18714 1698 1 5 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.547 0.338 18714 1699 1 5 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.728 -0.027 18714 1700 1 5 . 1 1 17 17 GLN H H 17 7.811 7.811 7.791 0.020 18714 1701 1 5 . 1 1 18 18 LEU N N 18 116.893 116.893 119.922 -3.029 18714 1702 1 5 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.694 -0.110 18714 1703 1 5 . 1 1 18 18 LEU C C 18 178.250 178.250 178.054 0.196 18714 1704 1 5 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.080 0.149 18714 1705 1 5 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.944 -0.281 18714 1706 1 5 . 1 1 18 18 LEU H H 18 8.190 8.190 8.083 0.107 18714 1707 1 5 . 1 1 19 19 ALA N N 19 120.561 120.561 120.965 -0.404 18714 1708 1 5 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.963 0.024 18714 1709 1 5 . 1 1 19 19 ALA C C 19 180.071 180.071 179.637 0.434 18714 1710 1 5 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.261 -0.130 18714 1711 1 5 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.954 -0.034 18714 1712 1 5 . 1 1 19 19 ALA H H 19 8.013 8.013 7.850 0.163 18714 1713 1 5 . 1 1 20 20 GLU N N 20 115.648 115.648 118.535 -2.887 18714 1714 1 5 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.013 0.024 18714 1715 1 5 . 1 1 20 20 GLU C C 20 179.526 179.526 179.132 0.394 18714 1716 1 5 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.997 -1.053 18714 1717 1 5 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.116 -0.256 18714 1718 1 5 . 1 1 20 20 GLU H H 20 7.165 7.165 7.640 -0.475 18714 1719 1 5 . 1 1 21 21 LEU N N 21 120.140 120.140 119.603 0.537 18714 1720 1 5 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.959 -0.401 18714 1721 1 5 . 1 1 21 21 LEU C C 21 177.344 177.344 179.034 -1.690 18714 1722 1 5 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.211 0.700 18714 1723 1 5 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.547 -2.715 18714 1724 1 5 . 1 1 21 21 LEU H H 21 7.428 7.428 7.335 0.093 18714 1725 1 5 . 1 1 22 22 LYS N N 22 117.352 117.352 119.871 -2.519 18714 1726 1 5 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.300 -0.324 18714 1727 1 5 . 1 1 22 22 LYS C C 22 178.805 178.805 179.353 -0.548 18714 1728 1 5 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.065 1.217 18714 1729 1 5 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.062 0.112 18714 1730 1 5 . 1 1 22 22 LYS H H 22 8.021 8.021 7.530 0.491 18714 1731 1 5 . 1 1 23 23 VAL N N 23 117.470 117.470 119.832 -2.362 18714 1732 1 5 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.817 -0.120 18714 1733 1 5 . 1 1 23 23 VAL C C 23 178.291 178.291 178.248 0.043 18714 1734 1 5 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.493 -0.072 18714 1735 1 5 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.885 0.825 18714 1736 1 5 . 1 1 23 23 VAL H H 23 7.618 7.618 7.956 -0.338 18714 1737 1 5 . 1 1 24 24 SER N N 24 113.371 113.371 115.529 -2.158 18714 1738 1 5 . 1 1 24 24 SER HA H 24 4.247 4.247 4.233 0.014 18714 1739 1 5 . 1 1 24 24 SER C C 24 177.015 177.015 176.628 0.387 18714 1740 1 5 . 1 1 24 24 SER CA C 24 61.550 61.550 61.926 -0.376 18714 1741 1 5 . 1 1 24 24 SER CB C 24 62.987 62.987 63.187 -0.200 18714 1742 1 5 . 1 1 24 24 SER H H 24 7.340 7.340 7.921 -0.581 18714 1743 1 5 . 1 1 25 25 TYR N N 25 120.532 120.532 122.928 -2.396 18714 1744 1 5 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.889 -0.637 18714 1745 1 5 . 1 1 25 25 TYR C C 25 176.470 176.470 177.006 -0.536 18714 1746 1 5 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.388 0.407 18714 1747 1 5 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.755 -0.144 18714 1748 1 5 . 1 1 25 25 TYR H H 25 8.888 8.888 7.964 0.924 18714 1749 1 5 . 1 1 26 26 LEU N N 26 115.079 115.079 117.768 -2.689 18714 1750 1 5 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.962 0.073 18714 1751 1 5 . 1 1 26 26 LEU C C 26 179.021 179.021 178.970 0.051 18714 1752 1 5 . 1 1 26 26 LEU CA C 26 56.850 56.850 57.008 -0.158 18714 1753 1 5 . 1 1 26 26 LEU CB C 26 41.983 41.983 42.031 -0.048 18714 1754 1 5 . 1 1 26 26 LEU H H 26 7.953 7.953 8.068 -0.115 18714 1755 1 5 . 1 1 27 27 LYS N N 27 119.058 119.058 117.340 1.718 18714 1756 1 5 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.167 0.002 18714 1757 1 5 . 1 1 27 27 LYS C C 27 177.375 177.375 176.748 0.627 18714 1758 1 5 . 1 1 27 27 LYS CA C 27 58.501 58.501 58.001 0.500 18714 1759 1 5 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.387 -0.754 18714 1760 1 5 . 1 1 27 27 LYS H H 27 7.503 7.503 7.727 -0.224 18714 1761 1 5 . 1 1 28 28 ASN N N 28 116.296 116.296 115.583 0.713 18714 1762 1 5 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.872 -0.352 18714 1763 1 5 . 1 1 28 28 ASN C C 28 174.134 174.134 174.570 -0.436 18714 1764 1 5 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.940 0.765 18714 1765 1 5 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.207 -0.841 18714 1766 1 5 . 1 1 28 28 ASN H H 28 8.163 8.163 7.864 0.299 18714 1767 1 5 . 1 1 29 29 GLN N N 29 123.819 123.819 121.412 2.407 18714 1768 1 5 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.945 -0.095 18714 1769 1 5 . 1 1 29 29 GLN C C 29 173.785 173.785 175.138 -1.353 18714 1770 1 5 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.048 0.554 18714 1771 1 5 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.630 -0.400 18714 1772 1 5 . 1 1 29 29 GLN H H 29 8.560 8.560 8.491 0.069 18714 1773 1 5 . 1 1 30 30 PHE N N 30 116.997 116.997 119.896 -2.899 18714 1774 1 5 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.738 0.004 18714 1775 1 5 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.844 -1.374 18714 1776 1 5 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.320 -0.184 18714 1777 1 5 . 1 1 30 30 PHE H H 30 8.014 8.014 7.626 0.388 18714 1778 1 5 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.505 -0.526 18714 1779 1 5 . 1 1 31 31 PRO C C 31 177.285 177.285 176.519 0.766 18714 1780 1 5 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.431 -0.167 18714 1781 1 5 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.061 -1.284 18714 1782 1 5 . 1 1 32 32 HIS N N 32 120.779 120.779 123.370 -2.591 18714 1783 1 5 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.538 0.037 18714 1784 1 5 . 1 1 32 32 HIS C C 32 176.601 176.601 176.840 -0.239 18714 1785 1 5 . 1 1 32 32 HIS CA C 32 55.416 55.416 57.046 -1.630 18714 1786 1 5 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.399 0.997 18714 1787 1 5 . 1 1 32 32 HIS H H 32 8.401 8.401 8.458 -0.057 18714 1788 1 5 . 1 1 33 33 ASP N N 33 124.390 124.390 123.358 1.032 18714 1789 1 5 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.288 -0.012 18714 1790 1 5 . 1 1 33 33 ASP C C 33 178.064 178.064 177.838 0.226 18714 1791 1 5 . 1 1 33 33 ASP CA C 33 58.486 58.486 58.333 0.153 18714 1792 1 5 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.770 -0.319 18714 1793 1 5 . 1 1 33 33 ASP H H 33 8.691 8.691 8.958 -0.267 18714 1794 1 5 . 1 1 34 34 SER N N 34 114.256 114.256 114.194 0.062 18714 1795 1 5 . 1 1 34 34 SER HA H 34 4.109 4.109 4.149 -0.040 18714 1796 1 5 . 1 1 34 34 SER C C 34 176.645 176.645 176.407 0.238 18714 1797 1 5 . 1 1 34 34 SER CA C 34 60.282 60.282 61.096 -0.814 18714 1798 1 5 . 1 1 34 34 SER CB C 34 61.931 61.931 62.853 -0.922 18714 1799 1 5 . 1 1 34 34 SER H H 34 9.494 9.494 8.302 1.192 18714 1800 1 5 . 1 1 35 35 GLU N N 35 126.075 126.075 122.843 3.232 18714 1801 1 5 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.145 0.758 18714 1802 1 5 . 1 1 35 35 GLU C C 35 177.715 177.715 178.733 -1.018 18714 1803 1 5 . 1 1 35 35 GLU CA C 35 56.884 56.884 58.618 -1.734 18714 1804 1 5 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.535 -1.014 18714 1805 1 5 . 1 1 35 35 GLU H H 35 7.493 7.493 7.712 -0.219 18714 1806 1 5 . 1 1 36 36 ILE N N 36 120.906 120.906 119.953 0.953 18714 1807 1 5 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.751 -0.148 18714 1808 1 5 . 1 1 36 36 ILE C C 36 177.725 177.725 178.101 -0.376 18714 1809 1 5 . 1 1 36 36 ILE CA C 36 64.945 64.945 64.996 -0.051 18714 1810 1 5 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.957 -2.084 18714 1811 1 5 . 1 1 36 36 ILE H H 36 7.697 7.697 8.036 -0.339 18714 1812 1 5 . 1 1 37 37 ILE N N 37 119.451 119.451 119.842 -0.391 18714 1813 1 5 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.725 0.234 18714 1814 1 5 . 1 1 37 37 ILE C C 37 178.085 178.085 178.067 0.018 18714 1815 1 5 . 1 1 37 37 ILE CA C 37 64.734 64.734 64.788 -0.054 18714 1816 1 5 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.356 0.424 18714 1817 1 5 . 1 1 37 37 ILE H H 37 8.229 8.229 7.545 0.684 18714 1818 1 5 . 1 1 38 38 ARG N N 38 122.344 122.344 120.813 1.531 18714 1819 1 5 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.023 -0.055 18714 1820 1 5 . 1 1 38 38 ARG C C 38 179.165 179.165 178.682 0.483 18714 1821 1 5 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.747 0.174 18714 1822 1 5 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.109 0.554 18714 1823 1 5 . 1 1 38 38 ARG H H 38 7.664 7.664 7.381 0.283 18714 1824 1 5 . 1 1 39 39 LEU N N 39 117.479 117.479 119.043 -1.564 18714 1825 1 5 . 1 1 39 39 LEU HA H 39 4.026 4.026 4.018 0.008 18714 1826 1 5 . 1 1 39 39 LEU C C 39 181.316 181.316 179.289 2.027 18714 1827 1 5 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.465 0.115 18714 1828 1 5 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.872 1.512 18714 1829 1 5 . 1 1 39 39 LEU H H 39 8.629 8.629 7.992 0.637 18714 1830 1 5 . 1 1 40 40 MET N N 40 126.468 126.468 118.389 8.079 18714 1831 1 5 . 1 1 40 40 MET HA H 40 3.957 3.957 4.262 -0.305 18714 1832 1 5 . 1 1 40 40 MET C C 40 178.466 178.466 178.104 0.362 18714 1833 1 5 . 1 1 40 40 MET CA C 40 60.109 60.109 59.155 0.954 18714 1834 1 5 . 1 1 40 40 MET CB C 40 34.065 34.065 32.729 1.336 18714 1835 1 5 . 1 1 40 40 MET H H 40 9.112 9.112 8.087 1.025 18714 1836 1 5 . 1 1 41 41 LYS N N 41 119.282 119.282 118.435 0.847 18714 1837 1 5 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.113 -0.073 18714 1838 1 5 . 1 1 41 41 LYS C C 41 178.805 178.805 178.366 0.439 18714 1839 1 5 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.668 0.547 18714 1840 1 5 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.428 -0.301 18714 1841 1 5 . 1 1 41 41 LYS H H 41 7.721 7.721 7.440 0.281 18714 1842 1 5 . 1 1 42 42 ILE N N 42 114.582 114.582 119.820 -5.238 18714 1843 1 5 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.015 0.135 18714 1844 1 5 . 1 1 42 42 ILE C C 42 177.365 177.365 178.198 -0.833 18714 1845 1 5 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.551 -0.834 18714 1846 1 5 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.870 0.960 18714 1847 1 5 . 1 1 42 42 ILE H H 42 7.804 7.804 7.823 -0.019 18714 1848 1 5 . 1 1 43 43 THR N N 43 107.511 107.511 110.340 -2.829 18714 1849 1 5 . 1 1 43 43 THR HA H 43 4.536 4.536 4.260 0.276 18714 1850 1 5 . 1 1 43 43 THR C C 43 176.120 176.120 175.946 0.174 18714 1851 1 5 . 1 1 43 43 THR CA C 43 63.136 63.136 64.285 -1.149 18714 1852 1 5 . 1 1 43 43 THR CB C 43 72.060 72.060 69.976 2.084 18714 1853 1 5 . 1 1 43 43 THR H H 43 8.313 8.313 8.283 0.030 18714 1854 1 5 . 1 1 44 44 GLY N N 44 111.235 111.235 110.734 0.501 18714 1855 1 5 . 1 1 44 44 GLY C C 44 174.134 174.134 174.321 -0.187 18714 1856 1 5 . 1 1 44 44 GLY CA C 44 45.805 45.805 45.454 0.351 18714 1857 1 5 . 1 1 44 44 GLY H H 44 8.055 8.055 7.649 0.406 18714 1858 1 5 . 1 1 45 45 LEU N N 45 120.586 120.586 119.679 0.907 18714 1859 1 5 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.560 -0.055 18714 1860 1 5 . 1 1 45 45 LEU C C 45 176.634 176.634 177.097 -0.463 18714 1861 1 5 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.497 0.260 18714 1862 1 5 . 1 1 45 45 LEU CB C 45 43.306 43.306 43.134 0.172 18714 1863 1 5 . 1 1 45 45 LEU H H 45 7.708 7.708 7.371 0.337 18714 1864 1 5 . 1 1 46 46 THR N N 46 109.308 109.308 108.865 0.443 18714 1865 1 5 . 1 1 46 46 THR HA H 46 4.325 4.325 4.356 -0.031 18714 1866 1 5 . 1 1 46 46 THR C C 46 175.215 175.215 175.499 -0.284 18714 1867 1 5 . 1 1 46 46 THR CA C 46 60.914 60.914 61.261 -0.347 18714 1868 1 5 . 1 1 46 46 THR CB C 46 71.237 71.237 69.998 1.239 18714 1869 1 5 . 1 1 46 46 THR H H 46 8.570 8.570 8.396 0.174 18714 1870 1 5 . 1 1 47 47 LYS N N 47 121.342 121.342 123.728 -2.386 18714 1871 1 5 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.929 -0.244 18714 1872 1 5 . 1 1 47 47 LYS C C 47 178.805 178.805 178.385 0.420 18714 1873 1 5 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.460 0.332 18714 1874 1 5 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.088 0.246 18714 1875 1 5 . 1 1 47 47 LYS H H 47 8.797 8.797 8.941 -0.144 18714 1876 1 5 . 1 1 48 48 GLY N N 48 104.143 104.143 106.473 -2.330 18714 1877 1 5 . 1 1 48 48 GLY C C 48 177.149 177.149 176.691 0.458 18714 1878 1 5 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.886 0.003 18714 1879 1 5 . 1 1 48 48 GLY H H 48 8.715 8.715 8.440 0.275 18714 1880 1 5 . 1 1 49 49 GLU N N 49 121.943 121.943 121.896 0.047 18714 1881 1 5 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.203 -0.113 18714 1882 1 5 . 1 1 49 49 GLU C C 49 179.886 179.886 179.229 0.657 18714 1883 1 5 . 1 1 49 49 GLU CA C 49 59.183 59.183 58.491 0.692 18714 1884 1 5 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.308 1.382 18714 1885 1 5 . 1 1 49 49 GLU H H 49 7.851 7.851 7.788 0.062 18714 1886 1 5 . 1 1 50 50 ILE N N 50 121.748 121.748 121.052 0.696 18714 1887 1 5 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.765 -0.005 18714 1888 1 5 . 1 1 50 50 ILE C C 50 177.735 177.735 178.221 -0.486 18714 1889 1 5 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.631 0.487 18714 1890 1 5 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.875 0.237 18714 1891 1 5 . 1 1 50 50 ILE H H 50 8.224 8.224 8.106 0.118 18714 1892 1 5 . 1 1 51 51 LYS N N 51 119.119 119.119 118.803 0.316 18714 1893 1 5 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.080 -0.019 18714 1894 1 5 . 1 1 51 51 LYS C C 51 179.526 179.526 178.934 0.592 18714 1895 1 5 . 1 1 51 51 LYS CA C 51 61.120 61.120 60.213 0.907 18714 1896 1 5 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.186 -0.290 18714 1897 1 5 . 1 1 51 51 LYS H H 51 8.842 8.842 8.391 0.451 18714 1898 1 5 . 1 1 52 52 LYS N N 52 120.252 120.252 120.035 0.217 18714 1899 1 5 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.106 0.088 18714 1900 1 5 . 1 1 52 52 LYS C C 52 176.830 176.830 178.729 -1.899 18714 1901 1 5 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.246 -0.496 18714 1902 1 5 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.351 0.036 18714 1903 1 5 . 1 1 52 52 LYS H H 52 8.208 8.208 7.627 0.581 18714 1904 1 5 . 1 1 53 53 TRP N N 53 120.333 120.333 122.037 -1.704 18714 1905 1 5 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.223 -0.034 18714 1906 1 5 . 1 1 53 53 TRP C C 53 180.266 180.266 178.267 1.999 18714 1907 1 5 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.338 1.381 18714 1908 1 5 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.521 -1.367 18714 1909 1 5 . 1 1 53 53 TRP H H 53 8.132 8.132 7.945 0.187 18714 1910 1 5 . 1 1 54 54 PHE N N 54 120.742 120.742 117.236 3.506 18714 1911 1 5 . 1 1 54 54 PHE HA H 54 3.714 3.714 4.042 -0.328 18714 1912 1 5 . 1 1 54 54 PHE C C 54 177.488 177.488 178.012 -0.524 18714 1913 1 5 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.439 1.454 18714 1914 1 5 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.957 0.445 18714 1915 1 5 . 1 1 54 54 PHE H H 54 8.903 8.903 8.589 0.314 18714 1916 1 5 . 1 1 55 55 SER N N 55 113.136 113.136 115.675 -2.539 18714 1917 1 5 . 1 1 55 55 SER HA H 55 4.063 4.063 4.152 -0.089 18714 1918 1 5 . 1 1 55 55 SER C C 55 177.571 177.571 176.088 1.483 18714 1919 1 5 . 1 1 55 55 SER CA C 55 62.419 62.419 62.688 -0.270 18714 1920 1 5 . 1 1 55 55 SER CB C 55 62.673 62.673 63.081 -0.408 18714 1921 1 5 . 1 1 55 55 SER H H 55 8.136 8.136 8.498 -0.362 18714 1922 1 5 . 1 1 56 56 ASP N N 56 122.871 122.871 121.570 1.301 18714 1923 1 5 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.499 -0.201 18714 1924 1 5 . 1 1 56 56 ASP C C 56 178.085 178.085 178.060 0.025 18714 1925 1 5 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.392 -0.429 18714 1926 1 5 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.882 -1.161 18714 1927 1 5 . 1 1 56 56 ASP H H 56 9.091 9.091 8.007 1.084 18714 1928 1 5 . 1 1 57 57 THR N N 57 118.957 118.957 116.065 2.892 18714 1929 1 5 . 1 1 57 57 THR HA H 57 3.335 3.335 3.641 -0.306 18714 1930 1 5 . 1 1 57 57 THR C C 57 175.925 175.925 176.751 -0.826 18714 1931 1 5 . 1 1 57 57 THR CA C 57 67.064 67.064 66.134 0.930 18714 1932 1 5 . 1 1 57 57 THR CB C 57 67.387 67.387 67.780 -0.393 18714 1933 1 5 . 1 1 57 57 THR H H 57 7.926 7.926 7.741 0.185 18714 1934 1 5 . 1 1 58 58 ARG N N 58 120.980 120.980 121.444 -0.464 18714 1935 1 5 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.272 -0.071 18714 1936 1 5 . 1 1 58 58 ARG C C 58 179.536 179.536 178.348 1.188 18714 1937 1 5 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.080 0.896 18714 1938 1 5 . 1 1 58 58 ARG CB C 58 31.394 31.394 30.391 1.003 18714 1939 1 5 . 1 1 58 58 ARG H H 58 8.139 8.139 7.829 0.310 18714 1940 1 5 . 1 1 59 59 TYR N N 59 119.449 119.449 121.084 -1.635 18714 1941 1 5 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.118 0.026 18714 1942 1 5 . 1 1 59 59 TYR C C 59 178.075 178.075 177.034 1.041 18714 1943 1 5 . 1 1 59 59 TYR CA C 59 61.320 61.320 60.918 0.402 18714 1944 1 5 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.242 -0.240 18714 1945 1 5 . 1 1 59 59 TYR H H 59 8.004 8.004 8.013 -0.009 18714 1946 1 5 . 1 1 60 60 ASN N N 60 118.169 118.169 116.134 2.035 18714 1947 1 5 . 1 1 60 60 ASN HA H 60 4.354 4.354 3.858 0.496 18714 1948 1 5 . 1 1 60 60 ASN C C 60 177.005 177.005 176.853 0.152 18714 1949 1 5 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.821 -0.661 18714 1950 1 5 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.102 0.190 18714 1951 1 5 . 1 1 60 60 ASN H H 60 8.354 8.354 8.090 0.264 18714 1952 1 5 . 1 1 61 61 GLN N N 61 118.671 118.671 117.101 1.570 18714 1953 1 5 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.069 0.072 18714 1954 1 5 . 1 1 61 61 GLN C C 61 177.046 177.046 178.505 -1.459 18714 1955 1 5 . 1 1 61 61 GLN CA C 61 57.217 57.217 58.072 -0.855 18714 1956 1 5 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.252 0.214 18714 1957 1 5 . 1 1 61 61 GLN H H 61 7.971 7.971 7.544 0.427 18714 1958 1 5 . 1 1 62 62 ARG N N 62 119.140 119.140 119.672 -0.532 18714 1959 1 5 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.109 0.080 18714 1960 1 5 . 1 1 62 62 ARG C C 62 176.655 176.655 177.662 -1.007 18714 1961 1 5 . 1 1 62 62 ARG CA C 62 57.462 57.462 58.431 -0.969 18714 1962 1 5 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.161 -0.265 18714 1963 1 5 . 1 1 62 62 ARG H H 62 7.690 7.690 7.609 0.081 18714 1964 1 5 . 1 1 63 63 ASN N N 63 117.472 117.472 115.624 1.848 18714 1965 1 5 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.852 -0.118 18714 1966 1 5 . 1 1 63 63 ASN C C 63 175.194 175.194 173.961 1.233 18714 1967 1 5 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.224 0.917 18714 1968 1 5 . 1 1 63 63 ASN CB C 63 38.875 38.875 38.232 0.643 18714 1969 1 5 . 1 1 63 63 ASN H H 63 8.003 8.003 7.696 0.307 18714 1970 1 5 . 1 1 64 64 SER N N 64 115.768 115.768 116.391 -0.623 18714 1971 1 5 . 1 1 64 64 SER HA H 64 4.402 4.402 4.341 0.061 18714 1972 1 5 . 1 1 64 64 SER C C 64 174.721 174.721 174.000 0.721 18714 1973 1 5 . 1 1 64 64 SER CA C 64 58.758 58.758 59.238 -0.480 18714 1974 1 5 . 1 1 64 64 SER CB C 64 63.620 63.620 62.273 1.347 18714 1975 1 5 . 1 1 64 64 SER H H 64 7.942 7.942 7.668 0.274 18714 1976 1 5 . 1 1 65 65 LYS N N 65 122.579 122.579 126.752 -4.173 18714 1977 1 5 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.485 -0.175 18714 1978 1 5 . 1 1 65 65 LYS C C 65 176.665 176.665 176.805 -0.140 18714 1979 1 5 . 1 1 65 65 LYS CA C 65 56.366 56.366 54.134 2.232 18714 1980 1 5 . 1 1 65 65 LYS CB C 65 33.054 33.054 33.577 -0.523 18714 1981 1 5 . 1 1 65 65 LYS H H 65 8.319 8.319 7.755 0.564 18714 1982 1 5 . 1 1 66 66 SER N N 66 115.560 115.560 116.238 -0.678 18714 1983 1 5 . 1 1 66 66 SER HA H 66 4.425 4.425 4.160 0.265 18714 1984 1 5 . 1 1 66 66 SER CA C 66 58.577 58.577 62.004 -3.427 18714 1985 1 5 . 1 1 66 66 SER CB C 66 63.670 63.670 62.954 0.716 18714 1986 1 5 . 1 1 66 66 SER H H 66 8.184 8.184 8.486 -0.302 18714 1987 1 5 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.495 0.208 18714 1988 1 5 . 1 1 67 67 ASN C C 67 175.196 175.196 175.574 -0.378 18714 1989 1 5 . 1 1 67 67 ASN CA C 67 53.417 53.417 54.697 -1.280 18714 1990 1 5 . 1 1 67 67 ASN CB C 67 38.593 38.593 37.053 1.540 18714 1991 1 5 . 1 1 68 68 GLN N N 68 120.106 120.106 119.034 1.072 18714 1992 1 5 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.293 0.010 18714 1993 1 5 . 1 1 68 68 GLN C C 68 175.708 175.708 175.481 0.227 18714 1994 1 5 . 1 1 68 68 GLN CA C 68 56.172 56.172 57.073 -0.901 18714 1995 1 5 . 1 1 68 68 GLN CB C 68 29.172 29.172 29.415 -0.243 18714 1996 1 5 . 1 1 68 68 GLN H H 68 8.283 8.283 8.525 -0.242 18714 1997 1 5 . 1 1 69 69 CYS N N 69 119.599 119.599 119.352 0.247 18714 1998 1 5 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.657 -0.253 18714 1999 1 5 . 1 1 69 69 CYS C C 69 174.412 174.412 173.696 0.716 18714 2000 1 5 . 1 1 69 69 CYS CA C 69 58.693 58.693 58.635 0.058 18714 2001 1 5 . 1 1 69 69 CYS CB C 69 27.610 27.610 28.032 -0.422 18714 2002 1 5 . 1 1 69 69 CYS H H 69 8.313 8.313 8.152 0.161 18714 2003 1 5 . 1 1 70 70 LEU N N 70 123.832 123.832 124.167 -0.335 18714 2004 1 5 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.516 -0.249 18714 2005 1 5 . 1 1 70 70 LEU C C 70 176.645 176.645 175.299 1.346 18714 2006 1 5 . 1 1 70 70 LEU CA C 70 55.283 55.283 55.717 -0.434 18714 2007 1 5 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.813 -0.554 18714 2008 1 5 . 1 1 70 70 LEU H H 70 8.201 8.201 8.435 -0.234 18714 2009 1 5 . 1 1 71 71 HIS N N 71 119.423 119.423 121.693 -2.270 18714 2010 1 5 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.577 0.071 18714 2011 1 5 . 1 1 71 71 HIS C C 71 174.494 174.494 174.823 -0.329 18714 2012 1 5 . 1 1 71 71 HIS CA C 71 55.424 55.424 55.741 -0.317 18714 2013 1 5 . 1 1 71 71 HIS CB C 71 29.687 29.687 28.557 1.130 18714 2014 1 5 . 1 1 71 71 HIS H H 71 8.308 8.308 8.011 0.297 18714 2015 1 5 . 1 1 72 72 LEU N N 72 122.990 122.990 129.468 -6.478 18714 2016 1 5 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.432 -0.099 18714 2017 1 5 . 1 1 72 72 LEU C C 72 176.645 176.645 175.845 0.800 18714 2018 1 5 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.366 0.615 18714 2019 1 5 . 1 1 72 72 LEU CB C 72 42.181 42.181 41.767 0.414 18714 2020 1 5 . 1 1 72 72 LEU H H 72 8.146 8.146 8.277 -0.131 18714 2021 1 5 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.740 -0.007 18714 2022 1 5 . 1 1 73 73 ASN C C 73 173.774 173.774 174.003 -0.229 18714 2023 1 5 . 1 1 73 73 ASN CA C 73 53.033 53.033 52.559 0.474 18714 2024 1 5 . 1 1 73 73 ASN CB C 73 38.928 38.928 39.986 -1.058 18714 2025 1 5 . 1 1 73 73 ASN H H 73 8.428 8.428 8.586 -0.158 18714 2026 1 6 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.629 -0.245 18714 2027 1 6 . 1 1 4 4 PRO C C 4 176.388 176.388 176.420 -0.032 18714 2028 1 6 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.401 0.696 18714 2029 1 6 . 1 1 4 4 PRO CB C 4 32.056 32.056 32.541 -0.485 18714 2030 1 6 . 1 1 5 5 ASP N N 5 120.482 120.482 120.397 0.085 18714 2031 1 6 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.817 -0.273 18714 2032 1 6 . 1 1 5 5 ASP C C 5 176.336 176.336 175.785 0.551 18714 2033 1 6 . 1 1 5 5 ASP CA C 5 54.322 54.322 55.350 -1.028 18714 2034 1 6 . 1 1 5 5 ASP CB C 5 41.006 41.006 40.502 0.504 18714 2035 1 6 . 1 1 5 5 ASP H H 5 8.415 8.415 8.457 -0.042 18714 2036 1 6 . 1 1 6 6 SER N N 6 115.481 115.481 118.006 -2.525 18714 2037 1 6 . 1 1 6 6 SER HA H 6 4.326 4.326 4.553 -0.227 18714 2038 1 6 . 1 1 6 6 SER C C 6 174.494 174.494 174.897 -0.403 18714 2039 1 6 . 1 1 6 6 SER CA C 6 58.559 58.559 58.174 0.385 18714 2040 1 6 . 1 1 6 6 SER CB C 6 63.461 63.461 64.373 -0.912 18714 2041 1 6 . 1 1 6 6 SER H H 6 8.146 8.146 8.206 -0.060 18714 2042 1 6 . 1 1 7 7 PHE N N 7 121.475 121.475 117.227 4.248 18714 2043 1 6 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.288 0.271 18714 2044 1 6 . 1 1 7 7 PHE C C 7 176.285 176.285 176.406 -0.121 18714 2045 1 6 . 1 1 7 7 PHE CA C 7 58.227 58.227 58.152 0.075 18714 2046 1 6 . 1 1 7 7 PHE CB C 7 39.213 39.213 36.453 2.760 18714 2047 1 6 . 1 1 7 7 PHE H H 7 8.236 8.236 8.429 -0.193 18714 2048 1 6 . 1 1 8 8 GLY N N 8 109.715 109.715 106.486 3.229 18714 2049 1 6 . 1 1 8 8 GLY C C 8 174.124 174.124 174.927 -0.803 18714 2050 1 6 . 1 1 8 8 GLY CA C 8 45.366 45.366 45.879 -0.513 18714 2051 1 6 . 1 1 8 8 GLY H H 8 8.256 8.256 7.886 0.370 18714 2052 1 6 . 1 1 9 9 ILE N N 9 120.361 120.361 120.778 -0.417 18714 2053 1 6 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.252 -0.140 18714 2054 1 6 . 1 1 9 9 ILE C C 9 176.429 176.429 175.701 0.728 18714 2055 1 6 . 1 1 9 9 ILE CA C 9 61.453 61.453 60.283 1.170 18714 2056 1 6 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.380 1.006 18714 2057 1 6 . 1 1 9 9 ILE H H 9 7.975 7.975 7.814 0.161 18714 2058 1 6 . 1 1 10 10 ARG N N 10 124.698 124.698 127.459 -2.761 18714 2059 1 6 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.414 -0.088 18714 2060 1 6 . 1 1 10 10 ARG C C 10 175.925 175.925 175.797 0.128 18714 2061 1 6 . 1 1 10 10 ARG CA C 10 55.824 55.824 55.946 -0.122 18714 2062 1 6 . 1 1 10 10 ARG CB C 10 30.482 30.482 30.622 -0.140 18714 2063 1 6 . 1 1 10 10 ARG H H 10 8.407 8.407 8.545 -0.138 18714 2064 1 6 . 1 1 11 11 ALA N N 11 124.966 124.966 122.881 2.085 18714 2065 1 6 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.311 -0.038 18714 2066 1 6 . 1 1 11 11 ALA C C 11 177.715 177.715 177.471 0.244 18714 2067 1 6 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.156 0.369 18714 2068 1 6 . 1 1 11 11 ALA CB C 11 19.094 19.094 18.532 0.562 18714 2069 1 6 . 1 1 11 11 ALA H H 11 8.257 8.257 7.874 0.383 18714 2070 1 6 . 1 1 12 12 LYS N N 12 120.850 120.850 124.081 -3.231 18714 2071 1 6 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.253 0.072 18714 2072 1 6 . 1 1 12 12 LYS C C 12 176.655 176.655 175.988 0.667 18714 2073 1 6 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.361 -0.247 18714 2074 1 6 . 1 1 12 12 LYS CB C 12 32.985 32.985 32.697 0.288 18714 2075 1 6 . 1 1 12 12 LYS H H 12 8.217 8.217 8.644 -0.427 18714 2076 1 6 . 1 1 13 13 LYS N N 13 122.258 122.258 119.712 2.546 18714 2077 1 6 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.278 0.330 18714 2078 1 6 . 1 1 13 13 LYS C C 13 177.005 177.005 177.343 -0.338 18714 2079 1 6 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.693 -0.818 18714 2080 1 6 . 1 1 13 13 LYS CB C 13 33.731 33.731 32.566 1.165 18714 2081 1 6 . 1 1 13 13 LYS H H 13 8.317 8.317 7.521 0.796 18714 2082 1 6 . 1 1 14 14 THR N N 14 113.409 113.409 116.422 -3.013 18714 2083 1 6 . 1 1 14 14 THR HA H 14 4.387 4.387 4.384 0.003 18714 2084 1 6 . 1 1 14 14 THR C C 14 175.215 175.215 175.966 -0.751 18714 2085 1 6 . 1 1 14 14 THR CA C 14 61.057 61.057 61.588 -0.531 18714 2086 1 6 . 1 1 14 14 THR CB C 14 70.754 70.754 70.194 0.560 18714 2087 1 6 . 1 1 14 14 THR H H 14 8.747 8.747 8.322 0.425 18714 2088 1 6 . 1 1 15 15 LYS N N 15 120.711 120.711 123.098 -2.387 18714 2089 1 6 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.937 0.026 18714 2090 1 6 . 1 1 15 15 LYS C C 15 178.898 178.898 178.969 -0.071 18714 2091 1 6 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.944 -0.357 18714 2092 1 6 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.082 -0.066 18714 2093 1 6 . 1 1 15 15 LYS H H 15 8.804 8.804 8.798 0.006 18714 2094 1 6 . 1 1 16 16 GLU N N 16 119.447 119.447 118.555 0.892 18714 2095 1 6 . 1 1 16 16 GLU HA H 16 4.043 4.043 3.948 0.095 18714 2096 1 6 . 1 1 16 16 GLU C C 16 179.536 179.536 178.842 0.694 18714 2097 1 6 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.623 0.488 18714 2098 1 6 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.186 -0.489 18714 2099 1 6 . 1 1 16 16 GLU H H 16 8.715 8.715 8.560 0.155 18714 2100 1 6 . 1 1 17 17 GLN N N 17 119.610 119.610 118.820 0.790 18714 2101 1 6 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.927 -0.066 18714 2102 1 6 . 1 1 17 17 GLN C C 17 177.725 177.725 178.231 -0.506 18714 2103 1 6 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.572 0.313 18714 2104 1 6 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.893 -0.192 18714 2105 1 6 . 1 1 17 17 GLN H H 17 7.811 7.811 7.421 0.390 18714 2106 1 6 . 1 1 18 18 LEU N N 18 116.893 116.893 120.166 -3.273 18714 2107 1 6 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.470 0.114 18714 2108 1 6 . 1 1 18 18 LEU C C 18 178.250 178.250 178.350 -0.100 18714 2109 1 6 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.532 -0.304 18714 2110 1 6 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.903 -0.240 18714 2111 1 6 . 1 1 18 18 LEU H H 18 8.190 8.190 8.170 0.020 18714 2112 1 6 . 1 1 19 19 ALA N N 19 120.561 120.561 120.765 -0.204 18714 2113 1 6 . 1 1 19 19 ALA HA H 19 3.987 3.987 4.052 -0.065 18714 2114 1 6 . 1 1 19 19 ALA C C 19 180.071 180.071 179.501 0.570 18714 2115 1 6 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.499 -0.368 18714 2116 1 6 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.978 -0.057 18714 2117 1 6 . 1 1 19 19 ALA H H 19 8.013 8.013 7.795 0.218 18714 2118 1 6 . 1 1 20 20 GLU N N 20 115.648 115.648 118.698 -3.050 18714 2119 1 6 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.069 -0.032 18714 2120 1 6 . 1 1 20 20 GLU C C 20 179.526 179.526 179.005 0.521 18714 2121 1 6 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.868 -0.924 18714 2122 1 6 . 1 1 20 20 GLU CB C 20 28.860 28.860 28.995 -0.135 18714 2123 1 6 . 1 1 20 20 GLU H H 20 7.165 7.165 7.775 -0.610 18714 2124 1 6 . 1 1 21 21 LEU N N 21 120.140 120.140 119.662 0.478 18714 2125 1 6 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.801 -0.243 18714 2126 1 6 . 1 1 21 21 LEU C C 21 177.344 177.344 178.836 -1.492 18714 2127 1 6 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.266 0.645 18714 2128 1 6 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.417 -2.585 18714 2129 1 6 . 1 1 21 21 LEU H H 21 7.428 7.428 7.672 -0.244 18714 2130 1 6 . 1 1 22 22 LYS N N 22 117.352 117.352 119.801 -2.449 18714 2131 1 6 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.389 -0.413 18714 2132 1 6 . 1 1 22 22 LYS C C 22 178.805 178.805 179.173 -0.368 18714 2133 1 6 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.878 0.404 18714 2134 1 6 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.359 -0.185 18714 2135 1 6 . 1 1 22 22 LYS H H 22 8.021 8.021 7.438 0.583 18714 2136 1 6 . 1 1 23 23 VAL N N 23 117.470 117.470 119.381 -1.911 18714 2137 1 6 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.675 0.022 18714 2138 1 6 . 1 1 23 23 VAL C C 23 178.291 178.291 177.837 0.454 18714 2139 1 6 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.480 -0.059 18714 2140 1 6 . 1 1 23 23 VAL CB C 23 31.710 31.710 31.436 0.274 18714 2141 1 6 . 1 1 23 23 VAL H H 23 7.618 7.618 7.664 -0.046 18714 2142 1 6 . 1 1 24 24 SER N N 24 113.371 113.371 115.011 -1.640 18714 2143 1 6 . 1 1 24 24 SER HA H 24 4.247 4.247 4.226 0.021 18714 2144 1 6 . 1 1 24 24 SER C C 24 177.015 177.015 176.554 0.461 18714 2145 1 6 . 1 1 24 24 SER CA C 24 61.550 61.550 61.432 0.118 18714 2146 1 6 . 1 1 24 24 SER CB C 24 62.987 62.987 63.212 -0.225 18714 2147 1 6 . 1 1 24 24 SER H H 24 7.340 7.340 7.669 -0.329 18714 2148 1 6 . 1 1 25 25 TYR N N 25 120.532 120.532 123.467 -2.935 18714 2149 1 6 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.636 -0.385 18714 2150 1 6 . 1 1 25 25 TYR C C 25 176.470 176.470 177.225 -0.755 18714 2151 1 6 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.387 0.408 18714 2152 1 6 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.860 -0.249 18714 2153 1 6 . 1 1 25 25 TYR H H 25 8.888 8.888 8.118 0.770 18714 2154 1 6 . 1 1 26 26 LEU N N 26 115.079 115.079 117.802 -2.723 18714 2155 1 6 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.962 0.073 18714 2156 1 6 . 1 1 26 26 LEU C C 26 179.021 179.021 178.649 0.372 18714 2157 1 6 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.964 -0.114 18714 2158 1 6 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.726 0.257 18714 2159 1 6 . 1 1 26 26 LEU H H 26 7.953 7.953 8.164 -0.211 18714 2160 1 6 . 1 1 27 27 LYS N N 27 119.058 119.058 117.816 1.242 18714 2161 1 6 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.192 -0.024 18714 2162 1 6 . 1 1 27 27 LYS C C 27 177.375 177.375 176.375 1.000 18714 2163 1 6 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.322 1.179 18714 2164 1 6 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.228 -0.595 18714 2165 1 6 . 1 1 27 27 LYS H H 27 7.503 7.503 7.925 -0.422 18714 2166 1 6 . 1 1 28 28 ASN N N 28 116.296 116.296 114.363 1.933 18714 2167 1 6 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.714 -0.194 18714 2168 1 6 . 1 1 28 28 ASN C C 28 174.134 174.134 173.900 0.234 18714 2169 1 6 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.418 1.287 18714 2170 1 6 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.471 -1.105 18714 2171 1 6 . 1 1 28 28 ASN H H 28 8.163 8.163 7.962 0.201 18714 2172 1 6 . 1 1 29 29 GLN N N 29 123.819 123.819 119.715 4.104 18714 2173 1 6 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.722 0.128 18714 2174 1 6 . 1 1 29 29 GLN C C 29 173.785 173.785 173.441 0.344 18714 2175 1 6 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.770 -0.168 18714 2176 1 6 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.735 -0.505 18714 2177 1 6 . 1 1 29 29 GLN H H 29 8.560 8.560 8.382 0.178 18714 2178 1 6 . 1 1 30 30 PHE N N 30 116.997 116.997 115.890 1.107 18714 2179 1 6 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.776 -0.034 18714 2180 1 6 . 1 1 30 30 PHE CA C 30 53.470 53.470 53.942 -0.472 18714 2181 1 6 . 1 1 30 30 PHE CB C 30 39.136 39.136 38.617 0.520 18714 2182 1 6 . 1 1 30 30 PHE H H 30 8.014 8.014 7.752 0.262 18714 2183 1 6 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.638 -0.659 18714 2184 1 6 . 1 1 31 31 PRO C C 31 177.285 177.285 177.113 0.172 18714 2185 1 6 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.163 0.101 18714 2186 1 6 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.454 -1.677 18714 2187 1 6 . 1 1 32 32 HIS N N 32 120.779 120.779 118.342 2.437 18714 2188 1 6 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.454 0.121 18714 2189 1 6 . 1 1 32 32 HIS C C 32 176.601 176.601 176.115 0.486 18714 2190 1 6 . 1 1 32 32 HIS CA C 32 55.416 55.416 58.209 -2.793 18714 2191 1 6 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.087 1.309 18714 2192 1 6 . 1 1 32 32 HIS H H 32 8.401 8.401 8.974 -0.573 18714 2193 1 6 . 1 1 33 33 ASP N N 33 124.390 124.390 115.614 8.776 18714 2194 1 6 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.674 -0.398 18714 2195 1 6 . 1 1 33 33 ASP C C 33 178.064 178.064 176.628 1.436 18714 2196 1 6 . 1 1 33 33 ASP CA C 33 58.486 58.486 55.118 3.368 18714 2197 1 6 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.755 -0.304 18714 2198 1 6 . 1 1 33 33 ASP H H 33 8.691 8.691 8.395 0.296 18714 2199 1 6 . 1 1 34 34 SER N N 34 114.256 114.256 116.199 -1.943 18714 2200 1 6 . 1 1 34 34 SER HA H 34 4.109 4.109 4.177 -0.068 18714 2201 1 6 . 1 1 34 34 SER C C 34 176.645 176.645 176.248 0.397 18714 2202 1 6 . 1 1 34 34 SER CA C 34 60.282 60.282 61.279 -0.997 18714 2203 1 6 . 1 1 34 34 SER CB C 34 61.931 61.931 63.161 -1.230 18714 2204 1 6 . 1 1 34 34 SER H H 34 9.494 9.494 8.247 1.247 18714 2205 1 6 . 1 1 35 35 GLU N N 35 126.075 126.075 122.360 3.715 18714 2206 1 6 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.074 0.829 18714 2207 1 6 . 1 1 35 35 GLU C C 35 177.715 177.715 178.583 -0.868 18714 2208 1 6 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.150 -2.266 18714 2209 1 6 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.356 -0.835 18714 2210 1 6 . 1 1 35 35 GLU H H 35 7.493 7.493 8.661 -1.168 18714 2211 1 6 . 1 1 36 36 ILE N N 36 120.906 120.906 119.030 1.876 18714 2212 1 6 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.878 -0.275 18714 2213 1 6 . 1 1 36 36 ILE C C 36 177.725 177.725 178.223 -0.498 18714 2214 1 6 . 1 1 36 36 ILE CA C 36 64.945 64.945 64.530 0.415 18714 2215 1 6 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.974 -2.101 18714 2216 1 6 . 1 1 36 36 ILE H H 36 7.697 7.697 7.294 0.403 18714 2217 1 6 . 1 1 37 37 ILE N N 37 119.451 119.451 120.514 -1.063 18714 2218 1 6 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.569 0.390 18714 2219 1 6 . 1 1 37 37 ILE C C 37 178.085 178.085 177.813 0.272 18714 2220 1 6 . 1 1 37 37 ILE CA C 37 64.734 64.734 65.539 -0.805 18714 2221 1 6 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.492 0.289 18714 2222 1 6 . 1 1 37 37 ILE H H 37 8.229 8.229 7.975 0.254 18714 2223 1 6 . 1 1 38 38 ARG N N 38 122.344 122.344 120.473 1.871 18714 2224 1 6 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.004 -0.036 18714 2225 1 6 . 1 1 38 38 ARG C C 38 179.165 179.165 178.712 0.453 18714 2226 1 6 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.811 0.110 18714 2227 1 6 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.139 0.524 18714 2228 1 6 . 1 1 38 38 ARG H H 38 7.664 7.664 7.881 -0.217 18714 2229 1 6 . 1 1 39 39 LEU N N 39 117.479 117.479 119.154 -1.675 18714 2230 1 6 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.934 0.092 18714 2231 1 6 . 1 1 39 39 LEU C C 39 181.316 181.316 178.958 2.358 18714 2232 1 6 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.807 -0.227 18714 2233 1 6 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.766 1.619 18714 2234 1 6 . 1 1 39 39 LEU H H 39 8.629 8.629 7.896 0.733 18714 2235 1 6 . 1 1 40 40 MET N N 40 126.468 126.468 118.196 8.272 18714 2236 1 6 . 1 1 40 40 MET HA H 40 3.957 3.957 4.225 -0.268 18714 2237 1 6 . 1 1 40 40 MET C C 40 178.466 178.466 179.139 -0.673 18714 2238 1 6 . 1 1 40 40 MET CA C 40 60.109 60.109 59.157 0.952 18714 2239 1 6 . 1 1 40 40 MET CB C 40 34.065 34.065 32.500 1.565 18714 2240 1 6 . 1 1 40 40 MET H H 40 9.112 9.112 8.047 1.065 18714 2241 1 6 . 1 1 41 41 LYS N N 41 119.282 119.282 118.618 0.664 18714 2242 1 6 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.097 -0.057 18714 2243 1 6 . 1 1 41 41 LYS C C 41 178.805 178.805 178.610 0.195 18714 2244 1 6 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.625 0.590 18714 2245 1 6 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.360 -0.233 18714 2246 1 6 . 1 1 41 41 LYS H H 41 7.721 7.721 7.600 0.121 18714 2247 1 6 . 1 1 42 42 ILE N N 42 114.582 114.582 118.397 -3.815 18714 2248 1 6 . 1 1 42 42 ILE HA H 42 4.150 4.150 3.973 0.177 18714 2249 1 6 . 1 1 42 42 ILE C C 42 177.365 177.365 177.925 -0.560 18714 2250 1 6 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.485 -0.768 18714 2251 1 6 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.719 1.111 18714 2252 1 6 . 1 1 42 42 ILE H H 42 7.804 7.804 7.934 -0.130 18714 2253 1 6 . 1 1 43 43 THR N N 43 107.511 107.511 111.213 -3.702 18714 2254 1 6 . 1 1 43 43 THR HA H 43 4.536 4.536 4.197 0.339 18714 2255 1 6 . 1 1 43 43 THR C C 43 176.120 176.120 176.108 0.012 18714 2256 1 6 . 1 1 43 43 THR CA C 43 63.136 63.136 63.891 -0.755 18714 2257 1 6 . 1 1 43 43 THR CB C 43 72.060 72.060 69.834 2.226 18714 2258 1 6 . 1 1 43 43 THR H H 43 8.313 8.313 8.198 0.115 18714 2259 1 6 . 1 1 44 44 GLY N N 44 111.235 111.235 110.028 1.207 18714 2260 1 6 . 1 1 44 44 GLY C C 44 174.134 174.134 174.661 -0.527 18714 2261 1 6 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.820 0.985 18714 2262 1 6 . 1 1 44 44 GLY H H 44 8.055 8.055 7.771 0.284 18714 2263 1 6 . 1 1 45 45 LEU N N 45 120.586 120.586 121.972 -1.386 18714 2264 1 6 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.482 0.023 18714 2265 1 6 . 1 1 45 45 LEU C C 45 176.634 176.634 177.591 -0.957 18714 2266 1 6 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.069 -0.312 18714 2267 1 6 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.954 0.352 18714 2268 1 6 . 1 1 45 45 LEU H H 45 7.708 7.708 7.633 0.075 18714 2269 1 6 . 1 1 46 46 THR N N 46 109.308 109.308 110.057 -0.749 18714 2270 1 6 . 1 1 46 46 THR HA H 46 4.325 4.325 4.502 -0.177 18714 2271 1 6 . 1 1 46 46 THR C C 46 175.215 175.215 175.672 -0.457 18714 2272 1 6 . 1 1 46 46 THR CA C 46 60.914 60.914 60.760 0.154 18714 2273 1 6 . 1 1 46 46 THR CB C 46 71.237 71.237 70.829 0.408 18714 2274 1 6 . 1 1 46 46 THR H H 46 8.570 8.570 8.424 0.146 18714 2275 1 6 . 1 1 47 47 LYS N N 47 121.342 121.342 123.406 -2.064 18714 2276 1 6 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.983 -0.298 18714 2277 1 6 . 1 1 47 47 LYS C C 47 178.805 178.805 178.618 0.187 18714 2278 1 6 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.362 0.430 18714 2279 1 6 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.131 0.203 18714 2280 1 6 . 1 1 47 47 LYS H H 47 8.797 8.797 8.283 0.514 18714 2281 1 6 . 1 1 48 48 GLY N N 48 104.143 104.143 106.708 -2.565 18714 2282 1 6 . 1 1 48 48 GLY C C 48 177.149 177.149 176.396 0.753 18714 2283 1 6 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.976 -0.087 18714 2284 1 6 . 1 1 48 48 GLY H H 48 8.715 8.715 8.625 0.090 18714 2285 1 6 . 1 1 49 49 GLU N N 49 121.943 121.943 122.320 -0.377 18714 2286 1 6 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.053 0.037 18714 2287 1 6 . 1 1 49 49 GLU C C 49 179.886 179.886 179.242 0.644 18714 2288 1 6 . 1 1 49 49 GLU CA C 49 59.183 59.183 58.968 0.215 18714 2289 1 6 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.611 1.079 18714 2290 1 6 . 1 1 49 49 GLU H H 49 7.851 7.851 7.597 0.254 18714 2291 1 6 . 1 1 50 50 ILE N N 50 121.748 121.748 120.553 1.195 18714 2292 1 6 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.547 0.213 18714 2293 1 6 . 1 1 50 50 ILE C C 50 177.735 177.735 177.900 -0.165 18714 2294 1 6 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.257 0.861 18714 2295 1 6 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.827 0.285 18714 2296 1 6 . 1 1 50 50 ILE H H 50 8.224 8.224 7.989 0.235 18714 2297 1 6 . 1 1 51 51 LYS N N 51 119.119 119.119 118.813 0.306 18714 2298 1 6 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.575 -0.514 18714 2299 1 6 . 1 1 51 51 LYS C C 51 179.526 179.526 179.190 0.336 18714 2300 1 6 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.474 1.646 18714 2301 1 6 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.422 -0.526 18714 2302 1 6 . 1 1 51 51 LYS H H 51 8.842 8.842 8.095 0.747 18714 2303 1 6 . 1 1 52 52 LYS N N 52 120.252 120.252 121.080 -0.828 18714 2304 1 6 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.162 0.032 18714 2305 1 6 . 1 1 52 52 LYS C C 52 176.830 176.830 178.174 -1.344 18714 2306 1 6 . 1 1 52 52 LYS CA C 52 58.750 58.750 58.847 -0.097 18714 2307 1 6 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.025 0.362 18714 2308 1 6 . 1 1 52 52 LYS H H 52 8.208 8.208 7.877 0.331 18714 2309 1 6 . 1 1 53 53 TRP N N 53 120.333 120.333 121.262 -0.929 18714 2310 1 6 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.302 -0.113 18714 2311 1 6 . 1 1 53 53 TRP C C 53 180.266 180.266 178.019 2.247 18714 2312 1 6 . 1 1 53 53 TRP CA C 53 62.719 62.719 60.846 1.873 18714 2313 1 6 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.249 -1.095 18714 2314 1 6 . 1 1 53 53 TRP H H 53 8.132 8.132 7.758 0.374 18714 2315 1 6 . 1 1 54 54 PHE N N 54 120.742 120.742 116.503 4.239 18714 2316 1 6 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.843 -0.129 18714 2317 1 6 . 1 1 54 54 PHE C C 54 177.488 177.488 177.802 -0.314 18714 2318 1 6 . 1 1 54 54 PHE CA C 54 63.893 63.893 61.598 2.295 18714 2319 1 6 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.189 1.213 18714 2320 1 6 . 1 1 54 54 PHE H H 54 8.903 8.903 7.946 0.957 18714 2321 1 6 . 1 1 55 55 SER N N 55 113.136 113.136 114.632 -1.496 18714 2322 1 6 . 1 1 55 55 SER HA H 55 4.063 4.063 4.177 -0.114 18714 2323 1 6 . 1 1 55 55 SER C C 55 177.571 177.571 176.381 1.190 18714 2324 1 6 . 1 1 55 55 SER CA C 55 62.419 62.419 61.744 0.675 18714 2325 1 6 . 1 1 55 55 SER CB C 55 62.673 62.673 62.902 -0.229 18714 2326 1 6 . 1 1 55 55 SER H H 55 8.136 8.136 7.787 0.349 18714 2327 1 6 . 1 1 56 56 ASP N N 56 122.871 122.871 120.878 1.993 18714 2328 1 6 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.504 -0.206 18714 2329 1 6 . 1 1 56 56 ASP C C 56 178.085 178.085 178.121 -0.036 18714 2330 1 6 . 1 1 56 56 ASP CA C 56 56.963 56.963 56.846 0.117 18714 2331 1 6 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.441 -0.720 18714 2332 1 6 . 1 1 56 56 ASP H H 56 9.091 9.091 7.674 1.417 18714 2333 1 6 . 1 1 57 57 THR N N 57 118.957 118.957 116.428 2.529 18714 2334 1 6 . 1 1 57 57 THR HA H 57 3.335 3.335 3.607 -0.272 18714 2335 1 6 . 1 1 57 57 THR C C 57 175.925 175.925 175.950 -0.025 18714 2336 1 6 . 1 1 57 57 THR CA C 57 67.064 67.064 65.775 1.289 18714 2337 1 6 . 1 1 57 57 THR CB C 57 67.387 67.387 67.659 -0.272 18714 2338 1 6 . 1 1 57 57 THR H H 57 7.926 7.926 7.507 0.419 18714 2339 1 6 . 1 1 58 58 ARG N N 58 120.980 120.980 121.892 -0.912 18714 2340 1 6 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.127 0.074 18714 2341 1 6 . 1 1 58 58 ARG C C 58 179.536 179.536 178.318 1.218 18714 2342 1 6 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.441 0.535 18714 2343 1 6 . 1 1 58 58 ARG CB C 58 31.394 31.394 30.004 1.390 18714 2344 1 6 . 1 1 58 58 ARG H H 58 8.139 8.139 7.463 0.676 18714 2345 1 6 . 1 1 59 59 TYR N N 59 119.449 119.449 119.834 -0.385 18714 2346 1 6 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.086 0.058 18714 2347 1 6 . 1 1 59 59 TYR C C 59 178.075 178.075 177.170 0.905 18714 2348 1 6 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.198 0.122 18714 2349 1 6 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.265 -0.263 18714 2350 1 6 . 1 1 59 59 TYR H H 59 8.004 8.004 7.732 0.272 18714 2351 1 6 . 1 1 60 60 ASN N N 60 118.169 118.169 116.507 1.662 18714 2352 1 6 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.116 0.238 18714 2353 1 6 . 1 1 60 60 ASN C C 60 177.005 177.005 176.925 0.080 18714 2354 1 6 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.565 -0.405 18714 2355 1 6 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.546 -0.254 18714 2356 1 6 . 1 1 60 60 ASN H H 60 8.354 8.354 7.759 0.595 18714 2357 1 6 . 1 1 61 61 GLN N N 61 118.671 118.671 118.311 0.360 18714 2358 1 6 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.060 0.081 18714 2359 1 6 . 1 1 61 61 GLN C C 61 177.046 177.046 177.576 -0.530 18714 2360 1 6 . 1 1 61 61 GLN CA C 61 57.217 57.217 58.195 -0.978 18714 2361 1 6 . 1 1 61 61 GLN CB C 61 28.466 28.466 29.035 -0.569 18714 2362 1 6 . 1 1 61 61 GLN H H 61 7.971 7.971 7.855 0.116 18714 2363 1 6 . 1 1 62 62 ARG N N 62 119.140 119.140 115.265 3.875 18714 2364 1 6 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.323 -0.134 18714 2365 1 6 . 1 1 62 62 ARG C C 62 176.655 176.655 176.920 -0.265 18714 2366 1 6 . 1 1 62 62 ARG CA C 62 57.462 57.462 56.863 0.599 18714 2367 1 6 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.715 -0.819 18714 2368 1 6 . 1 1 62 62 ARG H H 62 7.690 7.690 7.473 0.217 18714 2369 1 6 . 1 1 63 63 ASN N N 63 117.472 117.472 119.161 -1.689 18714 2370 1 6 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.812 -0.078 18714 2371 1 6 . 1 1 63 63 ASN C C 63 175.194 175.194 174.284 0.910 18714 2372 1 6 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.118 1.023 18714 2373 1 6 . 1 1 63 63 ASN CB C 63 38.875 38.875 38.908 -0.033 18714 2374 1 6 . 1 1 63 63 ASN H H 63 8.003 8.003 7.818 0.185 18714 2375 1 6 . 1 1 64 64 SER N N 64 115.768 115.768 118.746 -2.978 18714 2376 1 6 . 1 1 64 64 SER HA H 64 4.402 4.402 4.473 -0.071 18714 2377 1 6 . 1 1 64 64 SER C C 64 174.721 174.721 174.643 0.078 18714 2378 1 6 . 1 1 64 64 SER CA C 64 58.758 58.758 58.788 -0.030 18714 2379 1 6 . 1 1 64 64 SER CB C 64 63.620 63.620 64.151 -0.531 18714 2380 1 6 . 1 1 64 64 SER H H 64 7.942 7.942 8.259 -0.317 18714 2381 1 6 . 1 1 65 65 LYS N N 65 122.579 122.579 122.767 -0.188 18714 2382 1 6 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.505 -0.195 18714 2383 1 6 . 1 1 65 65 LYS C C 65 176.665 176.665 175.028 1.637 18714 2384 1 6 . 1 1 65 65 LYS CA C 65 56.366 56.366 55.904 0.462 18714 2385 1 6 . 1 1 65 65 LYS CB C 65 33.054 33.054 34.382 -1.328 18714 2386 1 6 . 1 1 65 65 LYS H H 65 8.319 8.319 8.012 0.307 18714 2387 1 6 . 1 1 66 66 SER N N 66 115.560 115.560 119.638 -4.078 18714 2388 1 6 . 1 1 66 66 SER HA H 66 4.425 4.425 4.396 0.029 18714 2389 1 6 . 1 1 66 66 SER CA C 66 58.577 58.577 58.759 -0.182 18714 2390 1 6 . 1 1 66 66 SER CB C 66 63.670 63.670 63.174 0.496 18714 2391 1 6 . 1 1 66 66 SER H H 66 8.184 8.184 8.483 -0.299 18714 2392 1 6 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.875 -0.172 18714 2393 1 6 . 1 1 67 67 ASN C C 67 175.196 175.196 174.595 0.601 18714 2394 1 6 . 1 1 67 67 ASN CA C 67 53.417 53.417 52.302 1.115 18714 2395 1 6 . 1 1 67 67 ASN CB C 67 38.593 38.593 39.513 -0.920 18714 2396 1 6 . 1 1 68 68 GLN N N 68 120.106 120.106 120.119 -0.013 18714 2397 1 6 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.299 0.004 18714 2398 1 6 . 1 1 68 68 GLN C C 68 175.708 175.708 176.091 -0.383 18714 2399 1 6 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.944 0.228 18714 2400 1 6 . 1 1 68 68 GLN CB C 68 29.172 29.172 28.624 0.548 18714 2401 1 6 . 1 1 68 68 GLN H H 68 8.283 8.283 8.591 -0.308 18714 2402 1 6 . 1 1 69 69 CYS N N 69 119.599 119.599 122.547 -2.948 18714 2403 1 6 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.130 0.274 18714 2404 1 6 . 1 1 69 69 CYS C C 69 174.412 174.412 173.466 0.946 18714 2405 1 6 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.342 -0.649 18714 2406 1 6 . 1 1 69 69 CYS CB C 69 27.610 27.610 26.883 0.727 18714 2407 1 6 . 1 1 69 69 CYS H H 69 8.313 8.313 8.755 -0.442 18714 2408 1 6 . 1 1 70 70 LEU N N 70 123.832 123.832 127.242 -3.410 18714 2409 1 6 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.313 -0.046 18714 2410 1 6 . 1 1 70 70 LEU C C 70 176.645 176.645 176.527 0.118 18714 2411 1 6 . 1 1 70 70 LEU CA C 70 55.283 55.283 55.242 0.041 18714 2412 1 6 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.492 -0.233 18714 2413 1 6 . 1 1 70 70 LEU H H 70 8.201 8.201 8.144 0.057 18714 2414 1 6 . 1 1 71 71 HIS N N 71 119.423 119.423 120.489 -1.066 18714 2415 1 6 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.771 -0.123 18714 2416 1 6 . 1 1 71 71 HIS C C 71 174.494 174.494 174.788 -0.294 18714 2417 1 6 . 1 1 71 71 HIS CA C 71 55.424 55.424 54.933 0.491 18714 2418 1 6 . 1 1 71 71 HIS CB C 71 29.687 29.687 32.348 -2.661 18714 2419 1 6 . 1 1 71 71 HIS H H 71 8.308 8.308 8.581 -0.273 18714 2420 1 6 . 1 1 72 72 LEU N N 72 122.990 122.990 123.750 -0.760 18714 2421 1 6 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.361 -0.028 18714 2422 1 6 . 1 1 72 72 LEU C C 72 176.645 176.645 176.352 0.293 18714 2423 1 6 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.893 0.088 18714 2424 1 6 . 1 1 72 72 LEU CB C 72 42.181 42.181 40.690 1.491 18714 2425 1 6 . 1 1 72 72 LEU H H 72 8.146 8.146 8.560 -0.414 18714 2426 1 6 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.894 -0.161 18714 2427 1 6 . 1 1 73 73 ASN C C 73 173.774 173.774 174.650 -0.876 18714 2428 1 6 . 1 1 73 73 ASN CA C 73 53.033 53.033 52.515 0.518 18714 2429 1 6 . 1 1 73 73 ASN CB C 73 38.928 38.928 39.957 -1.029 18714 2430 1 6 . 1 1 73 73 ASN H H 73 8.428 8.428 8.398 0.030 18714 2431 1 7 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.597 -0.213 18714 2432 1 7 . 1 1 4 4 PRO C C 4 176.388 176.388 175.868 0.520 18714 2433 1 7 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.504 0.593 18714 2434 1 7 . 1 1 4 4 PRO CB C 4 32.056 32.056 32.394 -0.338 18714 2435 1 7 . 1 1 5 5 ASP N N 5 120.482 120.482 122.870 -2.388 18714 2436 1 7 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.668 -0.124 18714 2437 1 7 . 1 1 5 5 ASP C C 5 176.336 176.336 175.953 0.383 18714 2438 1 7 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.167 0.155 18714 2439 1 7 . 1 1 5 5 ASP CB C 5 41.006 41.006 40.692 0.314 18714 2440 1 7 . 1 1 5 5 ASP H H 5 8.415 8.415 8.632 -0.217 18714 2441 1 7 . 1 1 6 6 SER N N 6 115.481 115.481 115.381 0.100 18714 2442 1 7 . 1 1 6 6 SER HA H 6 4.326 4.326 4.320 0.006 18714 2443 1 7 . 1 1 6 6 SER C C 6 174.494 174.494 174.834 -0.340 18714 2444 1 7 . 1 1 6 6 SER CA C 6 58.559 58.559 58.492 0.067 18714 2445 1 7 . 1 1 6 6 SER CB C 6 63.461 63.461 63.692 -0.231 18714 2446 1 7 . 1 1 6 6 SER H H 6 8.146 8.146 7.801 0.345 18714 2447 1 7 . 1 1 7 7 PHE N N 7 121.475 121.475 126.735 -5.260 18714 2448 1 7 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.263 0.296 18714 2449 1 7 . 1 1 7 7 PHE C C 7 176.285 176.285 174.037 2.248 18714 2450 1 7 . 1 1 7 7 PHE CA C 7 58.227 58.227 58.425 -0.198 18714 2451 1 7 . 1 1 7 7 PHE CB C 7 39.213 39.213 38.945 0.268 18714 2452 1 7 . 1 1 7 7 PHE H H 7 8.236 8.236 8.408 -0.172 18714 2453 1 7 . 1 1 8 8 GLY N N 8 109.715 109.715 113.645 -3.930 18714 2454 1 7 . 1 1 8 8 GLY C C 8 174.124 174.124 173.402 0.722 18714 2455 1 7 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.616 0.750 18714 2456 1 7 . 1 1 8 8 GLY H H 8 8.256 8.256 7.985 0.271 18714 2457 1 7 . 1 1 9 9 ILE N N 9 120.361 120.361 122.387 -2.026 18714 2458 1 7 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.148 -0.036 18714 2459 1 7 . 1 1 9 9 ILE C C 9 176.429 176.429 175.942 0.487 18714 2460 1 7 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.392 0.061 18714 2461 1 7 . 1 1 9 9 ILE CB C 9 38.386 38.386 35.652 2.734 18714 2462 1 7 . 1 1 9 9 ILE H H 9 7.975 7.975 8.166 -0.191 18714 2463 1 7 . 1 1 10 10 ARG N N 10 124.698 124.698 126.082 -1.384 18714 2464 1 7 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.433 -0.107 18714 2465 1 7 . 1 1 10 10 ARG C C 10 175.925 175.925 176.054 -0.129 18714 2466 1 7 . 1 1 10 10 ARG CA C 10 55.824 55.824 55.898 -0.074 18714 2467 1 7 . 1 1 10 10 ARG CB C 10 30.482 30.482 30.495 -0.013 18714 2468 1 7 . 1 1 10 10 ARG H H 10 8.407 8.407 8.243 0.164 18714 2469 1 7 . 1 1 11 11 ALA N N 11 124.966 124.966 125.869 -0.903 18714 2470 1 7 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.525 -0.252 18714 2471 1 7 . 1 1 11 11 ALA C C 11 177.715 177.715 177.307 0.408 18714 2472 1 7 . 1 1 11 11 ALA CA C 11 52.525 52.525 51.532 0.993 18714 2473 1 7 . 1 1 11 11 ALA CB C 11 19.094 19.094 18.963 0.131 18714 2474 1 7 . 1 1 11 11 ALA H H 11 8.257 8.257 8.142 0.115 18714 2475 1 7 . 1 1 12 12 LYS N N 12 120.850 120.850 125.624 -4.774 18714 2476 1 7 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.348 -0.023 18714 2477 1 7 . 1 1 12 12 LYS C C 12 176.655 176.655 175.836 0.819 18714 2478 1 7 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.347 -0.233 18714 2479 1 7 . 1 1 12 12 LYS CB C 12 32.985 32.985 33.197 -0.212 18714 2480 1 7 . 1 1 12 12 LYS H H 12 8.217 8.217 8.521 -0.304 18714 2481 1 7 . 1 1 13 13 LYS N N 13 122.258 122.258 117.642 4.616 18714 2482 1 7 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.033 0.575 18714 2483 1 7 . 1 1 13 13 LYS C C 13 177.005 177.005 176.472 0.533 18714 2484 1 7 . 1 1 13 13 LYS CA C 13 55.875 55.875 57.167 -1.292 18714 2485 1 7 . 1 1 13 13 LYS CB C 13 33.731 33.731 32.009 1.722 18714 2486 1 7 . 1 1 13 13 LYS H H 13 8.317 8.317 8.478 -0.161 18714 2487 1 7 . 1 1 14 14 THR N N 14 113.409 113.409 114.429 -1.020 18714 2488 1 7 . 1 1 14 14 THR HA H 14 4.387 4.387 4.463 -0.076 18714 2489 1 7 . 1 1 14 14 THR C C 14 175.215 175.215 175.968 -0.753 18714 2490 1 7 . 1 1 14 14 THR CA C 14 61.057 61.057 61.327 -0.270 18714 2491 1 7 . 1 1 14 14 THR CB C 14 70.754 70.754 70.854 -0.100 18714 2492 1 7 . 1 1 14 14 THR H H 14 8.747 8.747 8.430 0.317 18714 2493 1 7 . 1 1 15 15 LYS N N 15 120.711 120.711 124.389 -3.678 18714 2494 1 7 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.849 0.114 18714 2495 1 7 . 1 1 15 15 LYS C C 15 178.898 178.898 178.295 0.603 18714 2496 1 7 . 1 1 15 15 LYS CA C 15 59.587 59.587 60.292 -0.705 18714 2497 1 7 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.216 -0.200 18714 2498 1 7 . 1 1 15 15 LYS H H 15 8.804 8.804 8.922 -0.118 18714 2499 1 7 . 1 1 16 16 GLU N N 16 119.447 119.447 117.183 2.264 18714 2500 1 7 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.048 -0.005 18714 2501 1 7 . 1 1 16 16 GLU C C 16 179.536 179.536 179.223 0.313 18714 2502 1 7 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.151 0.960 18714 2503 1 7 . 1 1 16 16 GLU CB C 16 28.697 28.697 28.959 -0.262 18714 2504 1 7 . 1 1 16 16 GLU H H 16 8.715 8.715 8.516 0.199 18714 2505 1 7 . 1 1 17 17 GLN N N 17 119.610 119.610 119.554 0.056 18714 2506 1 7 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.928 -0.067 18714 2507 1 7 . 1 1 17 17 GLN C C 17 177.725 177.725 178.485 -0.760 18714 2508 1 7 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.841 0.044 18714 2509 1 7 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.668 0.034 18714 2510 1 7 . 1 1 17 17 GLN H H 17 7.811 7.811 7.446 0.365 18714 2511 1 7 . 1 1 18 18 LEU N N 18 116.893 116.893 119.629 -2.736 18714 2512 1 7 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.734 -0.150 18714 2513 1 7 . 1 1 18 18 LEU C C 18 178.250 178.250 178.326 -0.076 18714 2514 1 7 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.092 0.136 18714 2515 1 7 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.922 -0.259 18714 2516 1 7 . 1 1 18 18 LEU H H 18 8.190 8.190 7.781 0.409 18714 2517 1 7 . 1 1 19 19 ALA N N 19 120.561 120.561 121.519 -0.958 18714 2518 1 7 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.939 0.048 18714 2519 1 7 . 1 1 19 19 ALA C C 19 180.071 180.071 179.606 0.465 18714 2520 1 7 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.399 -0.268 18714 2521 1 7 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.973 -0.052 18714 2522 1 7 . 1 1 19 19 ALA H H 19 8.013 8.013 7.992 0.021 18714 2523 1 7 . 1 1 20 20 GLU N N 20 115.648 115.648 118.436 -2.788 18714 2524 1 7 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.030 0.007 18714 2525 1 7 . 1 1 20 20 GLU C C 20 179.526 179.526 179.221 0.305 18714 2526 1 7 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.813 -0.869 18714 2527 1 7 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.162 -0.302 18714 2528 1 7 . 1 1 20 20 GLU H H 20 7.165 7.165 7.762 -0.597 18714 2529 1 7 . 1 1 21 21 LEU N N 21 120.140 120.140 119.995 0.145 18714 2530 1 7 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.781 -0.223 18714 2531 1 7 . 1 1 21 21 LEU C C 21 177.344 177.344 178.606 -1.262 18714 2532 1 7 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.167 0.744 18714 2533 1 7 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.567 -2.735 18714 2534 1 7 . 1 1 21 21 LEU H H 21 7.428 7.428 7.432 -0.004 18714 2535 1 7 . 1 1 22 22 LYS N N 22 117.352 117.352 119.837 -2.485 18714 2536 1 7 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.207 -0.231 18714 2537 1 7 . 1 1 22 22 LYS C C 22 178.805 178.805 179.283 -0.478 18714 2538 1 7 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.714 0.568 18714 2539 1 7 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.358 -0.184 18714 2540 1 7 . 1 1 22 22 LYS H H 22 8.021 8.021 7.564 0.457 18714 2541 1 7 . 1 1 23 23 VAL N N 23 117.470 117.470 119.627 -2.157 18714 2542 1 7 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.770 -0.073 18714 2543 1 7 . 1 1 23 23 VAL C C 23 178.291 178.291 178.016 0.275 18714 2544 1 7 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.454 -0.033 18714 2545 1 7 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.916 0.794 18714 2546 1 7 . 1 1 23 23 VAL H H 23 7.618 7.618 8.209 -0.591 18714 2547 1 7 . 1 1 24 24 SER N N 24 113.371 113.371 115.827 -2.456 18714 2548 1 7 . 1 1 24 24 SER HA H 24 4.247 4.247 4.273 -0.026 18714 2549 1 7 . 1 1 24 24 SER C C 24 177.015 177.015 176.987 0.028 18714 2550 1 7 . 1 1 24 24 SER CA C 24 61.550 61.550 61.803 -0.253 18714 2551 1 7 . 1 1 24 24 SER CB C 24 62.987 62.987 63.102 -0.115 18714 2552 1 7 . 1 1 24 24 SER H H 24 7.340 7.340 7.988 -0.648 18714 2553 1 7 . 1 1 25 25 TYR N N 25 120.532 120.532 123.214 -2.682 18714 2554 1 7 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.965 -0.713 18714 2555 1 7 . 1 1 25 25 TYR C C 25 176.470 176.470 177.237 -0.767 18714 2556 1 7 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.204 0.591 18714 2557 1 7 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.716 -0.105 18714 2558 1 7 . 1 1 25 25 TYR H H 25 8.888 8.888 7.986 0.902 18714 2559 1 7 . 1 1 26 26 LEU N N 26 115.079 115.079 117.908 -2.829 18714 2560 1 7 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.948 0.087 18714 2561 1 7 . 1 1 26 26 LEU C C 26 179.021 179.021 178.736 0.285 18714 2562 1 7 . 1 1 26 26 LEU CA C 26 56.850 56.850 57.090 -0.240 18714 2563 1 7 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.980 0.003 18714 2564 1 7 . 1 1 26 26 LEU H H 26 7.953 7.953 7.817 0.136 18714 2565 1 7 . 1 1 27 27 LYS N N 27 119.058 119.058 117.514 1.544 18714 2566 1 7 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.104 0.065 18714 2567 1 7 . 1 1 27 27 LYS C C 27 177.375 177.375 176.959 0.416 18714 2568 1 7 . 1 1 27 27 LYS CA C 27 58.501 58.501 58.640 -0.139 18714 2569 1 7 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.121 -0.488 18714 2570 1 7 . 1 1 27 27 LYS H H 27 7.503 7.503 7.893 -0.390 18714 2571 1 7 . 1 1 28 28 ASN N N 28 116.296 116.296 114.734 1.562 18714 2572 1 7 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.938 -0.418 18714 2573 1 7 . 1 1 28 28 ASN C C 28 174.134 174.134 174.735 -0.601 18714 2574 1 7 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.732 0.973 18714 2575 1 7 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.058 -0.692 18714 2576 1 7 . 1 1 28 28 ASN H H 28 8.163 8.163 7.980 0.183 18714 2577 1 7 . 1 1 29 29 GLN N N 29 123.819 123.819 121.625 2.194 18714 2578 1 7 . 1 1 29 29 GLN HA H 29 3.850 3.850 4.183 -0.333 18714 2579 1 7 . 1 1 29 29 GLN C C 29 173.785 173.785 175.108 -1.323 18714 2580 1 7 . 1 1 29 29 GLN CA C 29 57.602 57.602 56.879 0.723 18714 2581 1 7 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.963 -0.733 18714 2582 1 7 . 1 1 29 29 GLN H H 29 8.560 8.560 8.690 -0.130 18714 2583 1 7 . 1 1 30 30 PHE N N 30 116.997 116.997 117.981 -0.984 18714 2584 1 7 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.575 0.167 18714 2585 1 7 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.876 -1.406 18714 2586 1 7 . 1 1 30 30 PHE CB C 30 39.136 39.136 40.565 -1.429 18714 2587 1 7 . 1 1 30 30 PHE H H 30 8.014 8.014 7.542 0.472 18714 2588 1 7 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.349 -0.370 18714 2589 1 7 . 1 1 31 31 PRO C C 31 177.285 177.285 176.485 0.800 18714 2590 1 7 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.559 -0.295 18714 2591 1 7 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.831 -2.054 18714 2592 1 7 . 1 1 32 32 HIS N N 32 120.779 120.779 122.047 -1.268 18714 2593 1 7 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.253 0.322 18714 2594 1 7 . 1 1 32 32 HIS C C 32 176.601 176.601 175.974 0.627 18714 2595 1 7 . 1 1 32 32 HIS CA C 32 55.416 55.416 59.218 -3.803 18714 2596 1 7 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.168 1.228 18714 2597 1 7 . 1 1 32 32 HIS H H 32 8.401 8.401 8.491 -0.090 18714 2598 1 7 . 1 1 33 33 ASP N N 33 124.390 124.390 112.735 11.655 18714 2599 1 7 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.675 -0.399 18714 2600 1 7 . 1 1 33 33 ASP C C 33 178.064 178.064 177.559 0.505 18714 2601 1 7 . 1 1 33 33 ASP CA C 33 58.486 58.486 55.625 2.861 18714 2602 1 7 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.507 -0.056 18714 2603 1 7 . 1 1 33 33 ASP H H 33 8.691 8.691 8.099 0.592 18714 2604 1 7 . 1 1 34 34 SER N N 34 114.256 114.256 117.283 -3.027 18714 2605 1 7 . 1 1 34 34 SER HA H 34 4.109 4.109 4.082 0.027 18714 2606 1 7 . 1 1 34 34 SER C C 34 176.645 176.645 176.083 0.562 18714 2607 1 7 . 1 1 34 34 SER CA C 34 60.282 60.282 61.703 -1.421 18714 2608 1 7 . 1 1 34 34 SER CB C 34 61.931 61.931 63.028 -1.097 18714 2609 1 7 . 1 1 34 34 SER H H 34 9.494 9.494 8.631 0.863 18714 2610 1 7 . 1 1 35 35 GLU N N 35 126.075 126.075 121.463 4.612 18714 2611 1 7 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.108 0.795 18714 2612 1 7 . 1 1 35 35 GLU C C 35 177.715 177.715 178.551 -0.836 18714 2613 1 7 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.021 -2.137 18714 2614 1 7 . 1 1 35 35 GLU CB C 35 28.521 28.521 28.939 -0.418 18714 2615 1 7 . 1 1 35 35 GLU H H 35 7.493 7.493 8.758 -1.265 18714 2616 1 7 . 1 1 36 36 ILE N N 36 120.906 120.906 119.804 1.102 18714 2617 1 7 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.907 -0.304 18714 2618 1 7 . 1 1 36 36 ILE C C 36 177.725 177.725 178.084 -0.359 18714 2619 1 7 . 1 1 36 36 ILE CA C 36 64.945 64.945 64.741 0.204 18714 2620 1 7 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.723 -1.850 18714 2621 1 7 . 1 1 36 36 ILE H H 36 7.697 7.697 7.686 0.011 18714 2622 1 7 . 1 1 37 37 ILE N N 37 119.451 119.451 120.197 -0.746 18714 2623 1 7 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.698 0.261 18714 2624 1 7 . 1 1 37 37 ILE C C 37 178.085 178.085 177.942 0.143 18714 2625 1 7 . 1 1 37 37 ILE CA C 37 64.734 64.734 63.664 1.069 18714 2626 1 7 . 1 1 37 37 ILE CB C 37 37.781 37.781 36.265 1.516 18714 2627 1 7 . 1 1 37 37 ILE H H 37 8.229 8.229 8.226 0.003 18714 2628 1 7 . 1 1 38 38 ARG N N 38 122.344 122.344 120.510 1.834 18714 2629 1 7 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.020 -0.052 18714 2630 1 7 . 1 1 38 38 ARG C C 38 179.165 179.165 178.793 0.372 18714 2631 1 7 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.731 0.190 18714 2632 1 7 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.166 0.497 18714 2633 1 7 . 1 1 38 38 ARG H H 38 7.664 7.664 7.382 0.282 18714 2634 1 7 . 1 1 39 39 LEU N N 39 117.479 117.479 119.213 -1.734 18714 2635 1 7 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.916 0.110 18714 2636 1 7 . 1 1 39 39 LEU C C 39 181.316 181.316 179.551 1.765 18714 2637 1 7 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.743 -0.163 18714 2638 1 7 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.813 1.571 18714 2639 1 7 . 1 1 39 39 LEU H H 39 8.629 8.629 7.948 0.681 18714 2640 1 7 . 1 1 40 40 MET N N 40 126.468 126.468 116.837 9.631 18714 2641 1 7 . 1 1 40 40 MET HA H 40 3.957 3.957 4.451 -0.494 18714 2642 1 7 . 1 1 40 40 MET C C 40 178.466 178.466 178.170 0.296 18714 2643 1 7 . 1 1 40 40 MET CA C 40 60.109 60.109 58.909 1.200 18714 2644 1 7 . 1 1 40 40 MET CB C 40 34.065 34.065 32.856 1.209 18714 2645 1 7 . 1 1 40 40 MET H H 40 9.112 9.112 8.326 0.786 18714 2646 1 7 . 1 1 41 41 LYS N N 41 119.282 119.282 118.066 1.216 18714 2647 1 7 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.114 -0.074 18714 2648 1 7 . 1 1 41 41 LYS C C 41 178.805 178.805 178.500 0.305 18714 2649 1 7 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.503 0.712 18714 2650 1 7 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.409 -0.282 18714 2651 1 7 . 1 1 41 41 LYS H H 41 7.721 7.721 7.523 0.198 18714 2652 1 7 . 1 1 42 42 ILE N N 42 114.582 114.582 120.287 -5.705 18714 2653 1 7 . 1 1 42 42 ILE HA H 42 4.150 4.150 3.994 0.156 18714 2654 1 7 . 1 1 42 42 ILE C C 42 177.365 177.365 178.262 -0.897 18714 2655 1 7 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.776 -1.059 18714 2656 1 7 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.629 1.202 18714 2657 1 7 . 1 1 42 42 ILE H H 42 7.804 7.804 8.170 -0.366 18714 2658 1 7 . 1 1 43 43 THR N N 43 107.511 107.511 111.090 -3.579 18714 2659 1 7 . 1 1 43 43 THR HA H 43 4.536 4.536 4.248 0.287 18714 2660 1 7 . 1 1 43 43 THR C C 43 176.120 176.120 176.155 -0.035 18714 2661 1 7 . 1 1 43 43 THR CA C 43 63.136 63.136 63.700 -0.564 18714 2662 1 7 . 1 1 43 43 THR CB C 43 72.060 72.060 70.698 1.362 18714 2663 1 7 . 1 1 43 43 THR H H 43 8.313 8.313 8.287 0.026 18714 2664 1 7 . 1 1 44 44 GLY N N 44 111.235 111.235 110.673 0.562 18714 2665 1 7 . 1 1 44 44 GLY C C 44 174.134 174.134 174.578 -0.444 18714 2666 1 7 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.744 1.061 18714 2667 1 7 . 1 1 44 44 GLY H H 44 8.055 8.055 7.693 0.362 18714 2668 1 7 . 1 1 45 45 LEU N N 45 120.586 120.586 123.217 -2.631 18714 2669 1 7 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.410 0.095 18714 2670 1 7 . 1 1 45 45 LEU C C 45 176.634 176.634 176.459 0.175 18714 2671 1 7 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.356 -0.599 18714 2672 1 7 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.592 0.714 18714 2673 1 7 . 1 1 45 45 LEU H H 45 7.708 7.708 7.630 0.078 18714 2674 1 7 . 1 1 46 46 THR N N 46 109.308 109.308 112.248 -2.940 18714 2675 1 7 . 1 1 46 46 THR HA H 46 4.325 4.325 4.424 -0.099 18714 2676 1 7 . 1 1 46 46 THR C C 46 175.215 175.215 175.678 -0.463 18714 2677 1 7 . 1 1 46 46 THR CA C 46 60.914 60.914 61.106 -0.192 18714 2678 1 7 . 1 1 46 46 THR CB C 46 71.237 71.237 70.009 1.228 18714 2679 1 7 . 1 1 46 46 THR H H 46 8.570 8.570 8.263 0.307 18714 2680 1 7 . 1 1 47 47 LYS N N 47 121.342 121.342 122.675 -1.333 18714 2681 1 7 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.973 -0.288 18714 2682 1 7 . 1 1 47 47 LYS C C 47 178.805 178.805 178.764 0.041 18714 2683 1 7 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.932 0.860 18714 2684 1 7 . 1 1 47 47 LYS CB C 47 32.334 32.334 31.908 0.426 18714 2685 1 7 . 1 1 47 47 LYS H H 47 8.797 8.797 8.633 0.164 18714 2686 1 7 . 1 1 48 48 GLY N N 48 104.143 104.143 105.989 -1.846 18714 2687 1 7 . 1 1 48 48 GLY C C 48 177.149 177.149 176.343 0.806 18714 2688 1 7 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.791 0.098 18714 2689 1 7 . 1 1 48 48 GLY H H 48 8.715 8.715 8.546 0.169 18714 2690 1 7 . 1 1 49 49 GLU N N 49 121.943 121.943 122.612 -0.669 18714 2691 1 7 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.112 -0.022 18714 2692 1 7 . 1 1 49 49 GLU C C 49 179.886 179.886 178.885 1.001 18714 2693 1 7 . 1 1 49 49 GLU CA C 49 59.183 59.183 58.746 0.437 18714 2694 1 7 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.364 1.326 18714 2695 1 7 . 1 1 49 49 GLU H H 49 7.851 7.851 7.640 0.211 18714 2696 1 7 . 1 1 50 50 ILE N N 50 121.748 121.748 120.396 1.352 18714 2697 1 7 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.817 -0.057 18714 2698 1 7 . 1 1 50 50 ILE C C 50 177.735 177.735 178.349 -0.614 18714 2699 1 7 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.360 0.758 18714 2700 1 7 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.961 0.151 18714 2701 1 7 . 1 1 50 50 ILE H H 50 8.224 8.224 8.200 0.024 18714 2702 1 7 . 1 1 51 51 LYS N N 51 119.119 119.119 119.061 0.058 18714 2703 1 7 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.082 -0.021 18714 2704 1 7 . 1 1 51 51 LYS C C 51 179.526 179.526 179.034 0.492 18714 2705 1 7 . 1 1 51 51 LYS CA C 51 61.120 61.120 58.854 2.266 18714 2706 1 7 . 1 1 51 51 LYS CB C 51 31.896 31.896 31.789 0.107 18714 2707 1 7 . 1 1 51 51 LYS H H 51 8.842 8.842 8.092 0.750 18714 2708 1 7 . 1 1 52 52 LYS N N 52 120.252 120.252 119.615 0.637 18714 2709 1 7 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.154 0.040 18714 2710 1 7 . 1 1 52 52 LYS C C 52 176.830 176.830 178.659 -1.829 18714 2711 1 7 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.191 -0.442 18714 2712 1 7 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.110 0.277 18714 2713 1 7 . 1 1 52 52 LYS H H 52 8.208 8.208 7.834 0.374 18714 2714 1 7 . 1 1 53 53 TRP N N 53 120.333 120.333 121.686 -1.353 18714 2715 1 7 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.271 -0.082 18714 2716 1 7 . 1 1 53 53 TRP C C 53 180.266 180.266 178.524 1.742 18714 2717 1 7 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.431 1.288 18714 2718 1 7 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.317 -1.163 18714 2719 1 7 . 1 1 53 53 TRP H H 53 8.132 8.132 7.794 0.338 18714 2720 1 7 . 1 1 54 54 PHE N N 54 120.742 120.742 115.924 4.818 18714 2721 1 7 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.904 -0.190 18714 2722 1 7 . 1 1 54 54 PHE C C 54 177.488 177.488 177.886 -0.398 18714 2723 1 7 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.156 1.737 18714 2724 1 7 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.541 0.861 18714 2725 1 7 . 1 1 54 54 PHE H H 54 8.903 8.903 8.476 0.427 18714 2726 1 7 . 1 1 55 55 SER N N 55 113.136 113.136 115.957 -2.821 18714 2727 1 7 . 1 1 55 55 SER HA H 55 4.063 4.063 4.212 -0.149 18714 2728 1 7 . 1 1 55 55 SER C C 55 177.571 177.571 176.459 1.112 18714 2729 1 7 . 1 1 55 55 SER CA C 55 62.419 62.419 62.364 0.055 18714 2730 1 7 . 1 1 55 55 SER CB C 55 62.673 62.673 63.029 -0.356 18714 2731 1 7 . 1 1 55 55 SER H H 55 8.136 8.136 7.802 0.334 18714 2732 1 7 . 1 1 56 56 ASP N N 56 122.871 122.871 121.617 1.254 18714 2733 1 7 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.471 -0.173 18714 2734 1 7 . 1 1 56 56 ASP C C 56 178.085 178.085 178.271 -0.186 18714 2735 1 7 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.203 -0.240 18714 2736 1 7 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.649 -0.928 18714 2737 1 7 . 1 1 56 56 ASP H H 56 9.091 9.091 7.580 1.511 18714 2738 1 7 . 1 1 57 57 THR N N 57 118.957 118.957 116.813 2.144 18714 2739 1 7 . 1 1 57 57 THR HA H 57 3.335 3.335 3.640 -0.305 18714 2740 1 7 . 1 1 57 57 THR C C 57 175.925 175.925 176.051 -0.126 18714 2741 1 7 . 1 1 57 57 THR CA C 57 67.064 67.064 65.866 1.198 18714 2742 1 7 . 1 1 57 57 THR CB C 57 67.387 67.387 67.660 -0.273 18714 2743 1 7 . 1 1 57 57 THR H H 57 7.926 7.926 7.791 0.135 18714 2744 1 7 . 1 1 58 58 ARG N N 58 120.980 120.980 122.221 -1.241 18714 2745 1 7 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.159 0.042 18714 2746 1 7 . 1 1 58 58 ARG C C 58 179.536 179.536 178.313 1.223 18714 2747 1 7 . 1 1 58 58 ARG CA C 58 59.976 59.976 58.526 1.450 18714 2748 1 7 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.739 1.655 18714 2749 1 7 . 1 1 58 58 ARG H H 58 8.139 8.139 7.641 0.498 18714 2750 1 7 . 1 1 59 59 TYR N N 59 119.449 119.449 119.509 -0.060 18714 2751 1 7 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.146 -0.002 18714 2752 1 7 . 1 1 59 59 TYR C C 59 178.075 178.075 178.233 -0.158 18714 2753 1 7 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.239 0.081 18714 2754 1 7 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.344 -0.342 18714 2755 1 7 . 1 1 59 59 TYR H H 59 8.004 8.004 7.819 0.185 18714 2756 1 7 . 1 1 60 60 ASN N N 60 118.169 118.169 116.714 1.455 18714 2757 1 7 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.224 0.130 18714 2758 1 7 . 1 1 60 60 ASN C C 60 177.005 177.005 178.131 -1.126 18714 2759 1 7 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.475 -0.315 18714 2760 1 7 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.117 0.175 18714 2761 1 7 . 1 1 60 60 ASN H H 60 8.354 8.354 8.029 0.325 18714 2762 1 7 . 1 1 61 61 GLN N N 61 118.671 118.671 117.727 0.944 18714 2763 1 7 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.173 -0.032 18714 2764 1 7 . 1 1 61 61 GLN C C 61 177.046 177.046 176.455 0.591 18714 2765 1 7 . 1 1 61 61 GLN CA C 61 57.217 57.217 57.069 0.148 18714 2766 1 7 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.882 -0.416 18714 2767 1 7 . 1 1 61 61 GLN H H 61 7.971 7.971 7.813 0.158 18714 2768 1 7 . 1 1 62 62 ARG N N 62 119.140 119.140 115.454 3.686 18714 2769 1 7 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.446 -0.257 18714 2770 1 7 . 1 1 62 62 ARG C C 62 176.655 176.655 175.822 0.833 18714 2771 1 7 . 1 1 62 62 ARG CA C 62 57.462 57.462 55.102 2.360 18714 2772 1 7 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.529 -0.633 18714 2773 1 7 . 1 1 62 62 ARG H H 62 7.690 7.690 7.309 0.381 18714 2774 1 7 . 1 1 63 63 ASN N N 63 117.472 117.472 120.054 -2.582 18714 2775 1 7 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.569 0.165 18714 2776 1 7 . 1 1 63 63 ASN C C 63 175.194 175.194 175.413 -0.219 18714 2777 1 7 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.959 0.182 18714 2778 1 7 . 1 1 63 63 ASN CB C 63 38.875 38.875 39.300 -0.425 18714 2779 1 7 . 1 1 63 63 ASN H H 63 8.003 8.003 7.469 0.534 18714 2780 1 7 . 1 1 64 64 SER N N 64 115.768 115.768 116.891 -1.123 18714 2781 1 7 . 1 1 64 64 SER HA H 64 4.402 4.402 4.423 -0.021 18714 2782 1 7 . 1 1 64 64 SER C C 64 174.721 174.721 174.149 0.572 18714 2783 1 7 . 1 1 64 64 SER CA C 64 58.758 58.758 59.068 -0.310 18714 2784 1 7 . 1 1 64 64 SER CB C 64 63.620 63.620 63.149 0.471 18714 2785 1 7 . 1 1 64 64 SER H H 64 7.942 7.942 8.437 -0.495 18714 2786 1 7 . 1 1 65 65 LYS N N 65 122.579 122.579 121.506 1.073 18714 2787 1 7 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.319 -0.009 18714 2788 1 7 . 1 1 65 65 LYS C C 65 176.665 176.665 176.378 0.287 18714 2789 1 7 . 1 1 65 65 LYS CA C 65 56.366 56.366 56.245 0.122 18714 2790 1 7 . 1 1 65 65 LYS CB C 65 33.054 33.054 31.158 1.896 18714 2791 1 7 . 1 1 65 65 LYS H H 65 8.319 8.319 7.977 0.342 18714 2792 1 7 . 1 1 66 66 SER N N 66 115.560 115.560 118.059 -2.499 18714 2793 1 7 . 1 1 66 66 SER HA H 66 4.425 4.425 4.408 0.017 18714 2794 1 7 . 1 1 66 66 SER CA C 66 58.577 58.577 58.655 -0.078 18714 2795 1 7 . 1 1 66 66 SER CB C 66 63.670 63.670 64.106 -0.436 18714 2796 1 7 . 1 1 66 66 SER H H 66 8.184 8.184 8.147 0.037 18714 2797 1 7 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.643 0.060 18714 2798 1 7 . 1 1 67 67 ASN C C 67 175.196 175.196 174.249 0.947 18714 2799 1 7 . 1 1 67 67 ASN CA C 67 53.417 53.417 54.075 -0.658 18714 2800 1 7 . 1 1 67 67 ASN CB C 67 38.593 38.593 38.125 0.468 18714 2801 1 7 . 1 1 68 68 GLN N N 68 120.106 120.106 122.054 -1.948 18714 2802 1 7 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.404 -0.101 18714 2803 1 7 . 1 1 68 68 GLN C C 68 175.708 175.708 174.927 0.781 18714 2804 1 7 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.472 0.700 18714 2805 1 7 . 1 1 68 68 GLN CB C 68 29.172 29.172 31.283 -2.111 18714 2806 1 7 . 1 1 68 68 GLN H H 68 8.283 8.283 8.173 0.110 18714 2807 1 7 . 1 1 69 69 CYS N N 69 119.599 119.599 121.177 -1.578 18714 2808 1 7 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.254 0.150 18714 2809 1 7 . 1 1 69 69 CYS C C 69 174.412 174.412 174.517 -0.105 18714 2810 1 7 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.750 -1.057 18714 2811 1 7 . 1 1 69 69 CYS CB C 69 27.610 27.610 26.897 0.713 18714 2812 1 7 . 1 1 69 69 CYS H H 69 8.313 8.313 8.660 -0.347 18714 2813 1 7 . 1 1 70 70 LEU N N 70 123.832 123.832 120.603 3.229 18714 2814 1 7 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.248 0.019 18714 2815 1 7 . 1 1 70 70 LEU C C 70 176.645 176.645 177.665 -1.020 18714 2816 1 7 . 1 1 70 70 LEU CA C 70 55.283 55.283 56.738 -1.455 18714 2817 1 7 . 1 1 70 70 LEU CB C 70 42.259 42.259 41.313 0.945 18714 2818 1 7 . 1 1 70 70 LEU H H 70 8.201 8.201 8.085 0.116 18714 2819 1 7 . 1 1 71 71 HIS N N 71 119.423 119.423 119.217 0.206 18714 2820 1 7 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.850 -0.202 18714 2821 1 7 . 1 1 71 71 HIS C C 71 174.494 174.494 174.411 0.083 18714 2822 1 7 . 1 1 71 71 HIS CA C 71 55.424 55.424 55.115 0.309 18714 2823 1 7 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.801 -0.114 18714 2824 1 7 . 1 1 71 71 HIS H H 71 8.308 8.308 8.127 0.181 18714 2825 1 7 . 1 1 72 72 LEU N N 72 122.990 122.990 123.859 -0.869 18714 2826 1 7 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.672 -0.339 18714 2827 1 7 . 1 1 72 72 LEU C C 72 176.645 176.645 175.426 1.219 18714 2828 1 7 . 1 1 72 72 LEU CA C 72 54.981 54.981 53.355 1.626 18714 2829 1 7 . 1 1 72 72 LEU CB C 72 42.181 42.181 43.148 -0.967 18714 2830 1 7 . 1 1 72 72 LEU H H 72 8.146 8.146 8.039 0.107 18714 2831 1 7 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.581 0.152 18714 2832 1 7 . 1 1 73 73 ASN C C 73 173.774 173.774 174.445 -0.671 18714 2833 1 7 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.828 -0.795 18714 2834 1 7 . 1 1 73 73 ASN CB C 73 38.928 38.928 37.422 1.506 18714 2835 1 7 . 1 1 73 73 ASN H H 73 8.428 8.428 8.520 -0.092 18714 2836 1 8 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.513 -0.129 18714 2837 1 8 . 1 1 4 4 PRO C C 4 176.388 176.388 175.953 0.435 18714 2838 1 8 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.927 0.170 18714 2839 1 8 . 1 1 4 4 PRO CB C 4 32.056 32.056 32.022 0.034 18714 2840 1 8 . 1 1 5 5 ASP N N 5 120.482 120.482 121.666 -1.184 18714 2841 1 8 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.827 -0.283 18714 2842 1 8 . 1 1 5 5 ASP C C 5 176.336 176.336 175.624 0.712 18714 2843 1 8 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.364 -0.042 18714 2844 1 8 . 1 1 5 5 ASP CB C 5 41.006 41.006 40.835 0.171 18714 2845 1 8 . 1 1 5 5 ASP H H 5 8.415 8.415 8.231 0.184 18714 2846 1 8 . 1 1 6 6 SER N N 6 115.481 115.481 119.805 -4.324 18714 2847 1 8 . 1 1 6 6 SER HA H 6 4.326 4.326 4.677 -0.351 18714 2848 1 8 . 1 1 6 6 SER C C 6 174.494 174.494 173.965 0.529 18714 2849 1 8 . 1 1 6 6 SER CA C 6 58.559 58.559 58.341 0.218 18714 2850 1 8 . 1 1 6 6 SER CB C 6 63.461 63.461 63.504 -0.043 18714 2851 1 8 . 1 1 6 6 SER H H 6 8.146 8.146 8.738 -0.592 18714 2852 1 8 . 1 1 7 7 PHE N N 7 121.475 121.475 122.840 -1.365 18714 2853 1 8 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.797 -0.238 18714 2854 1 8 . 1 1 7 7 PHE C C 7 176.285 176.285 176.640 -0.355 18714 2855 1 8 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.484 0.743 18714 2856 1 8 . 1 1 7 7 PHE CB C 7 39.213 39.213 38.524 0.689 18714 2857 1 8 . 1 1 7 7 PHE H H 7 8.236 8.236 7.664 0.572 18714 2858 1 8 . 1 1 8 8 GLY N N 8 109.715 109.715 109.529 0.186 18714 2859 1 8 . 1 1 8 8 GLY C C 8 174.124 174.124 174.237 -0.113 18714 2860 1 8 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.985 0.381 18714 2861 1 8 . 1 1 8 8 GLY H H 8 8.256 8.256 7.192 1.064 18714 2862 1 8 . 1 1 9 9 ILE N N 9 120.361 120.361 120.788 -0.427 18714 2863 1 8 . 1 1 9 9 ILE HA H 9 4.112 4.112 3.912 0.200 18714 2864 1 8 . 1 1 9 9 ILE C C 9 176.429 176.429 175.843 0.586 18714 2865 1 8 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.537 -0.084 18714 2866 1 8 . 1 1 9 9 ILE CB C 9 38.386 38.386 36.575 1.810 18714 2867 1 8 . 1 1 9 9 ILE H H 9 7.975 7.975 8.108 -0.133 18714 2868 1 8 . 1 1 10 10 ARG N N 10 124.698 124.698 125.738 -1.040 18714 2869 1 8 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.068 0.258 18714 2870 1 8 . 1 1 10 10 ARG C C 10 175.925 175.925 174.803 1.122 18714 2871 1 8 . 1 1 10 10 ARG CA C 10 55.824 55.824 56.101 -0.277 18714 2872 1 8 . 1 1 10 10 ARG CB C 10 30.482 30.482 29.572 0.910 18714 2873 1 8 . 1 1 10 10 ARG H H 10 8.407 8.407 8.348 0.059 18714 2874 1 8 . 1 1 11 11 ALA N N 11 124.966 124.966 127.006 -2.040 18714 2875 1 8 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.449 -0.176 18714 2876 1 8 . 1 1 11 11 ALA C C 11 177.715 177.715 176.442 1.273 18714 2877 1 8 . 1 1 11 11 ALA CA C 11 52.525 52.525 51.247 1.278 18714 2878 1 8 . 1 1 11 11 ALA CB C 11 19.094 19.094 19.764 -0.670 18714 2879 1 8 . 1 1 11 11 ALA H H 11 8.257 8.257 8.406 -0.149 18714 2880 1 8 . 1 1 12 12 LYS N N 12 120.850 120.850 126.220 -5.370 18714 2881 1 8 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.152 0.173 18714 2882 1 8 . 1 1 12 12 LYS C C 12 176.655 176.655 176.215 0.440 18714 2883 1 8 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.714 -0.600 18714 2884 1 8 . 1 1 12 12 LYS CB C 12 32.985 32.985 33.327 -0.342 18714 2885 1 8 . 1 1 12 12 LYS H H 12 8.217 8.217 8.396 -0.179 18714 2886 1 8 . 1 1 13 13 LYS N N 13 122.258 122.258 127.423 -5.165 18714 2887 1 8 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.191 0.417 18714 2888 1 8 . 1 1 13 13 LYS C C 13 177.005 177.005 176.821 0.184 18714 2889 1 8 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.881 -1.006 18714 2890 1 8 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.482 2.249 18714 2891 1 8 . 1 1 13 13 LYS H H 13 8.317 8.317 8.470 -0.153 18714 2892 1 8 . 1 1 14 14 THR N N 14 113.409 113.409 117.477 -4.068 18714 2893 1 8 . 1 1 14 14 THR HA H 14 4.387 4.387 4.325 0.062 18714 2894 1 8 . 1 1 14 14 THR C C 14 175.215 175.215 175.818 -0.603 18714 2895 1 8 . 1 1 14 14 THR CA C 14 61.057 61.057 61.496 -0.439 18714 2896 1 8 . 1 1 14 14 THR CB C 14 70.754 70.754 70.289 0.465 18714 2897 1 8 . 1 1 14 14 THR H H 14 8.747 8.747 7.995 0.752 18714 2898 1 8 . 1 1 15 15 LYS N N 15 120.711 120.711 121.059 -0.348 18714 2899 1 8 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.003 -0.040 18714 2900 1 8 . 1 1 15 15 LYS C C 15 178.898 178.898 178.631 0.267 18714 2901 1 8 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.794 -0.207 18714 2902 1 8 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.188 -0.172 18714 2903 1 8 . 1 1 15 15 LYS H H 15 8.804 8.804 8.686 0.118 18714 2904 1 8 . 1 1 16 16 GLU N N 16 119.447 119.447 117.483 1.964 18714 2905 1 8 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.110 -0.067 18714 2906 1 8 . 1 1 16 16 GLU C C 16 179.536 179.536 178.473 1.063 18714 2907 1 8 . 1 1 16 16 GLU CA C 16 60.111 60.111 58.783 1.328 18714 2908 1 8 . 1 1 16 16 GLU CB C 16 28.697 28.697 28.216 0.481 18714 2909 1 8 . 1 1 16 16 GLU H H 16 8.715 8.715 8.685 0.030 18714 2910 1 8 . 1 1 17 17 GLN N N 17 119.610 119.610 120.557 -0.947 18714 2911 1 8 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.979 -0.118 18714 2912 1 8 . 1 1 17 17 GLN C C 17 177.725 177.725 178.419 -0.694 18714 2913 1 8 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.598 0.287 18714 2914 1 8 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.642 0.059 18714 2915 1 8 . 1 1 17 17 GLN H H 17 7.811 7.811 7.637 0.174 18714 2916 1 8 . 1 1 18 18 LEU N N 18 116.893 116.893 119.907 -3.014 18714 2917 1 8 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.700 -0.116 18714 2918 1 8 . 1 1 18 18 LEU C C 18 178.250 178.250 178.166 0.084 18714 2919 1 8 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.124 0.104 18714 2920 1 8 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.936 -0.273 18714 2921 1 8 . 1 1 18 18 LEU H H 18 8.190 8.190 8.177 0.013 18714 2922 1 8 . 1 1 19 19 ALA N N 19 120.561 120.561 121.003 -0.442 18714 2923 1 8 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.961 0.026 18714 2924 1 8 . 1 1 19 19 ALA C C 19 180.071 180.071 179.737 0.334 18714 2925 1 8 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.270 -0.139 18714 2926 1 8 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.938 -0.017 18714 2927 1 8 . 1 1 19 19 ALA H H 19 8.013 8.013 7.555 0.458 18714 2928 1 8 . 1 1 20 20 GLU N N 20 115.648 115.648 118.467 -2.819 18714 2929 1 8 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.079 -0.042 18714 2930 1 8 . 1 1 20 20 GLU C C 20 179.526 179.526 179.104 0.422 18714 2931 1 8 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.737 -0.793 18714 2932 1 8 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.278 -0.418 18714 2933 1 8 . 1 1 20 20 GLU H H 20 7.165 7.165 7.768 -0.603 18714 2934 1 8 . 1 1 21 21 LEU N N 21 120.140 120.140 119.468 0.672 18714 2935 1 8 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.683 -0.125 18714 2936 1 8 . 1 1 21 21 LEU C C 21 177.344 177.344 178.713 -1.369 18714 2937 1 8 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.422 0.489 18714 2938 1 8 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.376 -2.544 18714 2939 1 8 . 1 1 21 21 LEU H H 21 7.428 7.428 7.448 -0.020 18714 2940 1 8 . 1 1 22 22 LYS N N 22 117.352 117.352 120.082 -2.730 18714 2941 1 8 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.301 -0.325 18714 2942 1 8 . 1 1 22 22 LYS C C 22 178.805 178.805 179.170 -0.365 18714 2943 1 8 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.800 0.482 18714 2944 1 8 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.356 -0.182 18714 2945 1 8 . 1 1 22 22 LYS H H 22 8.021 8.021 7.470 0.551 18714 2946 1 8 . 1 1 23 23 VAL N N 23 117.470 117.470 119.116 -1.646 18714 2947 1 8 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.788 -0.091 18714 2948 1 8 . 1 1 23 23 VAL C C 23 178.291 178.291 178.101 0.190 18714 2949 1 8 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.306 0.115 18714 2950 1 8 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.824 0.886 18714 2951 1 8 . 1 1 23 23 VAL H H 23 7.618 7.618 7.750 -0.132 18714 2952 1 8 . 1 1 24 24 SER N N 24 113.371 113.371 115.595 -2.224 18714 2953 1 8 . 1 1 24 24 SER HA H 24 4.247 4.247 4.248 -0.001 18714 2954 1 8 . 1 1 24 24 SER C C 24 177.015 177.015 176.751 0.264 18714 2955 1 8 . 1 1 24 24 SER CA C 24 61.550 61.550 61.863 -0.313 18714 2956 1 8 . 1 1 24 24 SER CB C 24 62.987 62.987 63.259 -0.272 18714 2957 1 8 . 1 1 24 24 SER H H 24 7.340 7.340 7.999 -0.659 18714 2958 1 8 . 1 1 25 25 TYR N N 25 120.532 120.532 123.736 -3.204 18714 2959 1 8 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.319 -0.067 18714 2960 1 8 . 1 1 25 25 TYR C C 25 176.470 176.470 177.540 -1.070 18714 2961 1 8 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.773 0.022 18714 2962 1 8 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.843 -0.232 18714 2963 1 8 . 1 1 25 25 TYR H H 25 8.888 8.888 8.123 0.765 18714 2964 1 8 . 1 1 26 26 LEU N N 26 115.079 115.079 116.843 -1.764 18714 2965 1 8 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.982 0.053 18714 2966 1 8 . 1 1 26 26 LEU C C 26 179.021 179.021 178.735 0.286 18714 2967 1 8 . 1 1 26 26 LEU CA C 26 56.850 56.850 57.232 -0.382 18714 2968 1 8 . 1 1 26 26 LEU CB C 26 41.983 41.983 42.107 -0.124 18714 2969 1 8 . 1 1 26 26 LEU H H 26 7.953 7.953 7.954 -0.001 18714 2970 1 8 . 1 1 27 27 LYS N N 27 119.058 119.058 115.538 3.520 18714 2971 1 8 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.182 -0.013 18714 2972 1 8 . 1 1 27 27 LYS C C 27 177.375 177.375 176.988 0.387 18714 2973 1 8 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.411 1.090 18714 2974 1 8 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.306 -0.673 18714 2975 1 8 . 1 1 27 27 LYS H H 27 7.503 7.503 7.593 -0.090 18714 2976 1 8 . 1 1 28 28 ASN N N 28 116.296 116.296 118.742 -2.446 18714 2977 1 8 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.725 -0.205 18714 2978 1 8 . 1 1 28 28 ASN C C 28 174.134 174.134 174.345 -0.211 18714 2979 1 8 . 1 1 28 28 ASN CA C 28 53.705 53.705 53.252 0.453 18714 2980 1 8 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.613 -0.247 18714 2981 1 8 . 1 1 28 28 ASN H H 28 8.163 8.163 7.882 0.281 18714 2982 1 8 . 1 1 29 29 GLN N N 29 123.819 123.819 121.032 2.787 18714 2983 1 8 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.585 0.265 18714 2984 1 8 . 1 1 29 29 GLN C C 29 173.785 173.785 174.344 -0.559 18714 2985 1 8 . 1 1 29 29 GLN CA C 29 57.602 57.602 56.052 1.550 18714 2986 1 8 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.506 -0.276 18714 2987 1 8 . 1 1 29 29 GLN H H 29 8.560 8.560 8.219 0.341 18714 2988 1 8 . 1 1 30 30 PHE N N 30 116.997 116.997 120.246 -3.249 18714 2989 1 8 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.672 0.070 18714 2990 1 8 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.953 -1.483 18714 2991 1 8 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.872 -0.736 18714 2992 1 8 . 1 1 30 30 PHE H H 30 8.014 8.014 7.377 0.637 18714 2993 1 8 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.548 -0.569 18714 2994 1 8 . 1 1 31 31 PRO C C 31 177.285 177.285 176.210 1.075 18714 2995 1 8 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.146 0.118 18714 2996 1 8 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.864 -2.087 18714 2997 1 8 . 1 1 32 32 HIS N N 32 120.779 120.779 119.957 0.822 18714 2998 1 8 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.530 0.045 18714 2999 1 8 . 1 1 32 32 HIS C C 32 176.601 176.601 175.740 0.861 18714 3000 1 8 . 1 1 32 32 HIS CA C 32 55.416 55.416 58.748 -3.332 18714 3001 1 8 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.258 1.138 18714 3002 1 8 . 1 1 32 32 HIS H H 32 8.401 8.401 8.752 -0.351 18714 3003 1 8 . 1 1 33 33 ASP N N 33 124.390 124.390 115.534 8.856 18714 3004 1 8 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.666 -0.390 18714 3005 1 8 . 1 1 33 33 ASP C C 33 178.064 178.064 177.771 0.293 18714 3006 1 8 . 1 1 33 33 ASP CA C 33 58.486 58.486 55.526 2.959 18714 3007 1 8 . 1 1 33 33 ASP CB C 33 40.451 40.451 41.383 -0.932 18714 3008 1 8 . 1 1 33 33 ASP H H 33 8.691 8.691 8.251 0.440 18714 3009 1 8 . 1 1 34 34 SER N N 34 114.256 114.256 117.636 -3.380 18714 3010 1 8 . 1 1 34 34 SER HA H 34 4.109 4.109 4.172 -0.063 18714 3011 1 8 . 1 1 34 34 SER C C 34 176.645 176.645 176.338 0.307 18714 3012 1 8 . 1 1 34 34 SER CA C 34 60.282 60.282 62.656 -2.374 18714 3013 1 8 . 1 1 34 34 SER CB C 34 61.931 61.931 62.977 -1.046 18714 3014 1 8 . 1 1 34 34 SER H H 34 9.494 9.494 8.620 0.874 18714 3015 1 8 . 1 1 35 35 GLU N N 35 126.075 126.075 121.352 4.723 18714 3016 1 8 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.163 0.740 18714 3017 1 8 . 1 1 35 35 GLU C C 35 177.715 177.715 178.888 -1.173 18714 3018 1 8 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.368 -2.484 18714 3019 1 8 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.614 -1.093 18714 3020 1 8 . 1 1 35 35 GLU H H 35 7.493 7.493 8.615 -1.122 18714 3021 1 8 . 1 1 36 36 ILE N N 36 120.906 120.906 118.734 2.172 18714 3022 1 8 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.829 -0.226 18714 3023 1 8 . 1 1 36 36 ILE C C 36 177.725 177.725 178.113 -0.388 18714 3024 1 8 . 1 1 36 36 ILE CA C 36 64.945 64.945 64.645 0.300 18714 3025 1 8 . 1 1 36 36 ILE CB C 36 35.873 35.873 38.082 -2.209 18714 3026 1 8 . 1 1 36 36 ILE H H 36 7.697 7.697 7.251 0.446 18714 3027 1 8 . 1 1 37 37 ILE N N 37 119.451 119.451 120.291 -0.840 18714 3028 1 8 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.654 0.305 18714 3029 1 8 . 1 1 37 37 ILE C C 37 178.085 178.085 177.890 0.195 18714 3030 1 8 . 1 1 37 37 ILE CA C 37 64.734 64.734 65.143 -0.409 18714 3031 1 8 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.482 0.299 18714 3032 1 8 . 1 1 37 37 ILE H H 37 8.229 8.229 8.040 0.190 18714 3033 1 8 . 1 1 38 38 ARG N N 38 122.344 122.344 120.660 1.684 18714 3034 1 8 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.003 -0.035 18714 3035 1 8 . 1 1 38 38 ARG C C 38 179.165 179.165 178.398 0.767 18714 3036 1 8 . 1 1 38 38 ARG CA C 38 59.921 59.921 58.870 1.050 18714 3037 1 8 . 1 1 38 38 ARG CB C 38 30.663 30.663 29.471 1.192 18714 3038 1 8 . 1 1 38 38 ARG H H 38 7.664 7.664 7.888 -0.224 18714 3039 1 8 . 1 1 39 39 LEU N N 39 117.479 117.479 119.306 -1.827 18714 3040 1 8 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.869 0.157 18714 3041 1 8 . 1 1 39 39 LEU C C 39 181.316 181.316 179.129 2.187 18714 3042 1 8 . 1 1 39 39 LEU CA C 39 57.580 57.580 58.079 -0.499 18714 3043 1 8 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.747 1.637 18714 3044 1 8 . 1 1 39 39 LEU H H 39 8.629 8.629 7.637 0.992 18714 3045 1 8 . 1 1 40 40 MET N N 40 126.468 126.468 117.480 8.988 18714 3046 1 8 . 1 1 40 40 MET HA H 40 3.957 3.957 4.069 -0.112 18714 3047 1 8 . 1 1 40 40 MET C C 40 178.466 178.466 179.012 -0.546 18714 3048 1 8 . 1 1 40 40 MET CA C 40 60.109 60.109 59.166 0.943 18714 3049 1 8 . 1 1 40 40 MET CB C 40 34.065 34.065 32.728 1.337 18714 3050 1 8 . 1 1 40 40 MET H H 40 9.112 9.112 8.171 0.941 18714 3051 1 8 . 1 1 41 41 LYS N N 41 119.282 119.282 118.398 0.884 18714 3052 1 8 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.141 -0.101 18714 3053 1 8 . 1 1 41 41 LYS C C 41 178.805 178.805 178.234 0.571 18714 3054 1 8 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.451 0.764 18714 3055 1 8 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.473 -0.346 18714 3056 1 8 . 1 1 41 41 LYS H H 41 7.721 7.721 7.708 0.013 18714 3057 1 8 . 1 1 42 42 ILE N N 42 114.582 114.582 120.275 -5.693 18714 3058 1 8 . 1 1 42 42 ILE HA H 42 4.150 4.150 3.976 0.174 18714 3059 1 8 . 1 1 42 42 ILE C C 42 177.365 177.365 178.001 -0.636 18714 3060 1 8 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.627 -0.909 18714 3061 1 8 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.768 1.062 18714 3062 1 8 . 1 1 42 42 ILE H H 42 7.804 7.804 7.845 -0.041 18714 3063 1 8 . 1 1 43 43 THR N N 43 107.511 107.511 111.126 -3.615 18714 3064 1 8 . 1 1 43 43 THR HA H 43 4.536 4.536 4.309 0.227 18714 3065 1 8 . 1 1 43 43 THR C C 43 176.120 176.120 175.948 0.172 18714 3066 1 8 . 1 1 43 43 THR CA C 43 63.136 63.136 62.896 0.240 18714 3067 1 8 . 1 1 43 43 THR CB C 43 72.060 72.060 70.329 1.731 18714 3068 1 8 . 1 1 43 43 THR H H 43 8.313 8.313 8.158 0.155 18714 3069 1 8 . 1 1 44 44 GLY N N 44 111.235 111.235 110.353 0.882 18714 3070 1 8 . 1 1 44 44 GLY C C 44 174.134 174.134 174.086 0.048 18714 3071 1 8 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.891 0.914 18714 3072 1 8 . 1 1 44 44 GLY H H 44 8.055 8.055 7.755 0.300 18714 3073 1 8 . 1 1 45 45 LEU N N 45 120.586 120.586 118.920 1.666 18714 3074 1 8 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.561 -0.056 18714 3075 1 8 . 1 1 45 45 LEU C C 45 176.634 176.634 176.517 0.117 18714 3076 1 8 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.192 0.565 18714 3077 1 8 . 1 1 45 45 LEU CB C 45 43.306 43.306 43.508 -0.202 18714 3078 1 8 . 1 1 45 45 LEU H H 45 7.708 7.708 7.491 0.217 18714 3079 1 8 . 1 1 46 46 THR N N 46 109.308 109.308 109.513 -0.205 18714 3080 1 8 . 1 1 46 46 THR HA H 46 4.325 4.325 4.631 -0.306 18714 3081 1 8 . 1 1 46 46 THR C C 46 175.215 175.215 175.297 -0.082 18714 3082 1 8 . 1 1 46 46 THR CA C 46 60.914 60.914 60.445 0.469 18714 3083 1 8 . 1 1 46 46 THR CB C 46 71.237 71.237 71.598 -0.361 18714 3084 1 8 . 1 1 46 46 THR H H 46 8.570 8.570 8.142 0.428 18714 3085 1 8 . 1 1 47 47 LYS N N 47 121.342 121.342 124.131 -2.789 18714 3086 1 8 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.962 -0.277 18714 3087 1 8 . 1 1 47 47 LYS C C 47 178.805 178.805 178.275 0.530 18714 3088 1 8 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.108 0.684 18714 3089 1 8 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.198 0.136 18714 3090 1 8 . 1 1 47 47 LYS H H 47 8.797 8.797 8.873 -0.076 18714 3091 1 8 . 1 1 48 48 GLY N N 48 104.143 104.143 107.272 -3.129 18714 3092 1 8 . 1 1 48 48 GLY C C 48 177.149 177.149 176.140 1.009 18714 3093 1 8 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.756 0.133 18714 3094 1 8 . 1 1 48 48 GLY H H 48 8.715 8.715 8.328 0.387 18714 3095 1 8 . 1 1 49 49 GLU N N 49 121.943 121.943 122.195 -0.252 18714 3096 1 8 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.007 0.083 18714 3097 1 8 . 1 1 49 49 GLU C C 49 179.886 179.886 179.321 0.565 18714 3098 1 8 . 1 1 49 49 GLU CA C 49 59.183 59.183 58.952 0.231 18714 3099 1 8 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.556 1.134 18714 3100 1 8 . 1 1 49 49 GLU H H 49 7.851 7.851 7.588 0.263 18714 3101 1 8 . 1 1 50 50 ILE N N 50 121.748 121.748 120.219 1.529 18714 3102 1 8 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.555 0.205 18714 3103 1 8 . 1 1 50 50 ILE C C 50 177.735 177.735 177.743 -0.008 18714 3104 1 8 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.222 0.896 18714 3105 1 8 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.684 0.428 18714 3106 1 8 . 1 1 50 50 ILE H H 50 8.224 8.224 7.669 0.555 18714 3107 1 8 . 1 1 51 51 LYS N N 51 119.119 119.119 120.071 -0.952 18714 3108 1 8 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.246 -0.185 18714 3109 1 8 . 1 1 51 51 LYS C C 51 179.526 179.526 179.244 0.282 18714 3110 1 8 . 1 1 51 51 LYS CA C 51 61.120 61.120 60.129 0.991 18714 3111 1 8 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.336 -0.440 18714 3112 1 8 . 1 1 51 51 LYS H H 51 8.842 8.842 7.676 1.166 18714 3113 1 8 . 1 1 52 52 LYS N N 52 120.252 120.252 119.305 0.947 18714 3114 1 8 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.045 0.149 18714 3115 1 8 . 1 1 52 52 LYS C C 52 176.830 176.830 178.793 -1.963 18714 3116 1 8 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.236 -0.486 18714 3117 1 8 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.179 0.208 18714 3118 1 8 . 1 1 52 52 LYS H H 52 8.208 8.208 7.948 0.260 18714 3119 1 8 . 1 1 53 53 TRP N N 53 120.333 120.333 122.334 -2.001 18714 3120 1 8 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.188 0.001 18714 3121 1 8 . 1 1 53 53 TRP C C 53 180.266 180.266 178.028 2.238 18714 3122 1 8 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.315 1.404 18714 3123 1 8 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.378 -1.224 18714 3124 1 8 . 1 1 53 53 TRP H H 53 8.132 8.132 7.852 0.280 18714 3125 1 8 . 1 1 54 54 PHE N N 54 120.742 120.742 116.853 3.889 18714 3126 1 8 . 1 1 54 54 PHE HA H 54 3.714 3.714 4.064 -0.350 18714 3127 1 8 . 1 1 54 54 PHE C C 54 177.488 177.488 178.185 -0.697 18714 3128 1 8 . 1 1 54 54 PHE CA C 54 63.893 63.893 61.696 2.197 18714 3129 1 8 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.401 1.000 18714 3130 1 8 . 1 1 54 54 PHE H H 54 8.903 8.903 8.005 0.898 18714 3131 1 8 . 1 1 55 55 SER N N 55 113.136 113.136 115.419 -2.283 18714 3132 1 8 . 1 1 55 55 SER HA H 55 4.063 4.063 4.055 0.008 18714 3133 1 8 . 1 1 55 55 SER C C 55 177.571 177.571 176.275 1.296 18714 3134 1 8 . 1 1 55 55 SER CA C 55 62.419 62.419 61.600 0.819 18714 3135 1 8 . 1 1 55 55 SER CB C 55 62.673 62.673 62.928 -0.255 18714 3136 1 8 . 1 1 55 55 SER H H 55 8.136 8.136 8.050 0.086 18714 3137 1 8 . 1 1 56 56 ASP N N 56 122.871 122.871 121.088 1.783 18714 3138 1 8 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.376 -0.078 18714 3139 1 8 . 1 1 56 56 ASP C C 56 178.085 178.085 178.177 -0.092 18714 3140 1 8 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.248 -0.285 18714 3141 1 8 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.938 -1.217 18714 3142 1 8 . 1 1 56 56 ASP H H 56 9.091 9.091 7.767 1.324 18714 3143 1 8 . 1 1 57 57 THR N N 57 118.957 118.957 116.460 2.497 18714 3144 1 8 . 1 1 57 57 THR HA H 57 3.335 3.335 3.564 -0.229 18714 3145 1 8 . 1 1 57 57 THR C C 57 175.925 175.925 176.520 -0.595 18714 3146 1 8 . 1 1 57 57 THR CA C 57 67.064 67.064 66.263 0.801 18714 3147 1 8 . 1 1 57 57 THR CB C 57 67.387 67.387 67.852 -0.465 18714 3148 1 8 . 1 1 57 57 THR H H 57 7.926 7.926 7.697 0.229 18714 3149 1 8 . 1 1 58 58 ARG N N 58 120.980 120.980 121.908 -0.928 18714 3150 1 8 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.135 0.066 18714 3151 1 8 . 1 1 58 58 ARG C C 58 179.536 179.536 178.383 1.153 18714 3152 1 8 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.751 0.225 18714 3153 1 8 . 1 1 58 58 ARG CB C 58 31.394 31.394 30.199 1.195 18714 3154 1 8 . 1 1 58 58 ARG H H 58 8.139 8.139 7.864 0.275 18714 3155 1 8 . 1 1 59 59 TYR N N 59 119.449 119.449 120.141 -0.692 18714 3156 1 8 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.129 0.015 18714 3157 1 8 . 1 1 59 59 TYR C C 59 178.075 178.075 177.616 0.459 18714 3158 1 8 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.404 -0.084 18714 3159 1 8 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.379 -0.377 18714 3160 1 8 . 1 1 59 59 TYR H H 59 8.004 8.004 7.745 0.259 18714 3161 1 8 . 1 1 60 60 ASN N N 60 118.169 118.169 114.169 4.000 18714 3162 1 8 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.544 -0.190 18714 3163 1 8 . 1 1 60 60 ASN C C 60 177.005 177.005 176.859 0.146 18714 3164 1 8 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.450 -0.290 18714 3165 1 8 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.328 -0.036 18714 3166 1 8 . 1 1 60 60 ASN H H 60 8.354 8.354 7.856 0.498 18714 3167 1 8 . 1 1 61 61 GLN N N 61 118.671 118.671 119.489 -0.818 18714 3168 1 8 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.287 -0.146 18714 3169 1 8 . 1 1 61 61 GLN C C 61 177.046 177.046 177.483 -0.437 18714 3170 1 8 . 1 1 61 61 GLN CA C 61 57.217 57.217 57.526 -0.309 18714 3171 1 8 . 1 1 61 61 GLN CB C 61 28.466 28.466 29.207 -0.741 18714 3172 1 8 . 1 1 61 61 GLN H H 61 7.971 7.971 7.449 0.522 18714 3173 1 8 . 1 1 62 62 ARG N N 62 119.140 119.140 117.751 1.389 18714 3174 1 8 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.138 0.051 18714 3175 1 8 . 1 1 62 62 ARG C C 62 176.655 176.655 177.460 -0.805 18714 3176 1 8 . 1 1 62 62 ARG CA C 62 57.462 57.462 57.584 -0.122 18714 3177 1 8 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.499 -0.603 18714 3178 1 8 . 1 1 62 62 ARG H H 62 7.690 7.690 8.012 -0.322 18714 3179 1 8 . 1 1 63 63 ASN N N 63 117.472 117.472 119.715 -2.243 18714 3180 1 8 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.754 -0.020 18714 3181 1 8 . 1 1 63 63 ASN C C 63 175.194 175.194 173.284 1.910 18714 3182 1 8 . 1 1 63 63 ASN CA C 63 53.141 53.141 51.805 1.336 18714 3183 1 8 . 1 1 63 63 ASN CB C 63 38.875 38.875 39.166 -0.291 18714 3184 1 8 . 1 1 63 63 ASN H H 63 8.003 8.003 7.745 0.258 18714 3185 1 8 . 1 1 64 64 SER N N 64 115.768 115.768 119.994 -4.226 18714 3186 1 8 . 1 1 64 64 SER HA H 64 4.402 4.402 4.401 0.001 18714 3187 1 8 . 1 1 64 64 SER C C 64 174.721 174.721 174.753 -0.032 18714 3188 1 8 . 1 1 64 64 SER CA C 64 58.758 58.758 58.513 0.245 18714 3189 1 8 . 1 1 64 64 SER CB C 64 63.620 63.620 63.418 0.202 18714 3190 1 8 . 1 1 64 64 SER H H 64 7.942 7.942 8.558 -0.616 18714 3191 1 8 . 1 1 65 65 LYS N N 65 122.579 122.579 129.127 -6.548 18714 3192 1 8 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.324 -0.014 18714 3193 1 8 . 1 1 65 65 LYS C C 65 176.665 176.665 176.932 -0.267 18714 3194 1 8 . 1 1 65 65 LYS CA C 65 56.366 56.366 57.276 -0.910 18714 3195 1 8 . 1 1 65 65 LYS CB C 65 33.054 33.054 32.695 0.359 18714 3196 1 8 . 1 1 65 65 LYS H H 65 8.319 8.319 8.960 -0.641 18714 3197 1 8 . 1 1 66 66 SER N N 66 115.560 115.560 112.978 2.582 18714 3198 1 8 . 1 1 66 66 SER HA H 66 4.425 4.425 4.350 0.075 18714 3199 1 8 . 1 1 66 66 SER CA C 66 58.577 58.577 57.855 0.722 18714 3200 1 8 . 1 1 66 66 SER CB C 66 63.670 63.670 63.944 -0.275 18714 3201 1 8 . 1 1 66 66 SER H H 66 8.184 8.184 8.101 0.083 18714 3202 1 8 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.519 0.184 18714 3203 1 8 . 1 1 67 67 ASN C C 67 175.196 175.196 174.549 0.647 18714 3204 1 8 . 1 1 67 67 ASN CA C 67 53.417 53.417 53.479 -0.062 18714 3205 1 8 . 1 1 67 67 ASN CB C 67 38.593 38.593 38.330 0.263 18714 3206 1 8 . 1 1 68 68 GLN N N 68 120.106 120.106 122.240 -2.134 18714 3207 1 8 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.289 0.014 18714 3208 1 8 . 1 1 68 68 GLN C C 68 175.708 175.708 175.903 -0.195 18714 3209 1 8 . 1 1 68 68 GLN CA C 68 56.172 56.172 56.254 -0.082 18714 3210 1 8 . 1 1 68 68 GLN CB C 68 29.172 29.172 29.055 0.117 18714 3211 1 8 . 1 1 68 68 GLN H H 68 8.283 8.283 8.335 -0.052 18714 3212 1 8 . 1 1 69 69 CYS N N 69 119.599 119.599 123.031 -3.432 18714 3213 1 8 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.564 -0.160 18714 3214 1 8 . 1 1 69 69 CYS C C 69 174.412 174.412 176.100 -1.688 18714 3215 1 8 . 1 1 69 69 CYS CA C 69 58.693 58.693 57.715 0.978 18714 3216 1 8 . 1 1 69 69 CYS CB C 69 27.610 27.610 28.992 -1.382 18714 3217 1 8 . 1 1 69 69 CYS H H 69 8.313 8.313 8.437 -0.124 18714 3218 1 8 . 1 1 70 70 LEU N N 70 123.832 123.832 124.385 -0.553 18714 3219 1 8 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.412 -0.145 18714 3220 1 8 . 1 1 70 70 LEU C C 70 176.645 176.645 176.038 0.607 18714 3221 1 8 . 1 1 70 70 LEU CA C 70 55.283 55.283 54.167 1.116 18714 3222 1 8 . 1 1 70 70 LEU CB C 70 42.259 42.259 39.804 2.455 18714 3223 1 8 . 1 1 70 70 LEU H H 70 8.201 8.201 8.732 -0.531 18714 3224 1 8 . 1 1 71 71 HIS N N 71 119.423 119.423 122.378 -2.955 18714 3225 1 8 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.415 0.233 18714 3226 1 8 . 1 1 71 71 HIS C C 71 174.494 174.494 174.548 -0.054 18714 3227 1 8 . 1 1 71 71 HIS CA C 71 55.424 55.424 56.677 -1.253 18714 3228 1 8 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.560 0.127 18714 3229 1 8 . 1 1 71 71 HIS H H 71 8.308 8.308 7.721 0.587 18714 3230 1 8 . 1 1 72 72 LEU N N 72 122.990 122.990 129.538 -6.548 18714 3231 1 8 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.532 -0.199 18714 3232 1 8 . 1 1 72 72 LEU C C 72 176.645 176.645 174.955 1.690 18714 3233 1 8 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.328 0.653 18714 3234 1 8 . 1 1 72 72 LEU CB C 72 42.181 42.181 44.569 -2.389 18714 3235 1 8 . 1 1 72 72 LEU H H 72 8.146 8.146 8.009 0.137 18714 3236 1 8 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.730 0.003 18714 3237 1 8 . 1 1 73 73 ASN C C 73 173.774 173.774 174.273 -0.499 18714 3238 1 8 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.150 -0.117 18714 3239 1 8 . 1 1 73 73 ASN CB C 73 38.928 38.928 38.849 0.079 18714 3240 1 8 . 1 1 73 73 ASN H H 73 8.428 8.428 8.699 -0.271 18714 3241 1 9 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.554 -0.170 18714 3242 1 9 . 1 1 4 4 PRO C C 4 176.388 176.388 175.332 1.056 18714 3243 1 9 . 1 1 4 4 PRO CA C 4 63.097 63.097 63.170 -0.073 18714 3244 1 9 . 1 1 4 4 PRO CB C 4 32.056 32.056 31.079 0.977 18714 3245 1 9 . 1 1 5 5 ASP N N 5 120.482 120.482 122.878 -2.396 18714 3246 1 9 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.602 -0.058 18714 3247 1 9 . 1 1 5 5 ASP C C 5 176.336 176.336 177.304 -0.968 18714 3248 1 9 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.536 -0.214 18714 3249 1 9 . 1 1 5 5 ASP CB C 5 41.006 41.006 41.834 -0.828 18714 3250 1 9 . 1 1 5 5 ASP H H 5 8.415 8.415 8.260 0.155 18714 3251 1 9 . 1 1 6 6 SER N N 6 115.481 115.481 116.069 -0.588 18714 3252 1 9 . 1 1 6 6 SER HA H 6 4.326 4.326 4.052 0.274 18714 3253 1 9 . 1 1 6 6 SER C C 6 174.494 174.494 175.505 -1.011 18714 3254 1 9 . 1 1 6 6 SER CA C 6 58.559 58.559 60.564 -2.005 18714 3255 1 9 . 1 1 6 6 SER CB C 6 63.461 63.461 62.691 0.770 18714 3256 1 9 . 1 1 6 6 SER H H 6 8.146 8.146 8.642 -0.496 18714 3257 1 9 . 1 1 7 7 PHE N N 7 121.475 121.475 120.832 0.643 18714 3258 1 9 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.040 0.519 18714 3259 1 9 . 1 1 7 7 PHE C C 7 176.285 176.285 175.358 0.927 18714 3260 1 9 . 1 1 7 7 PHE CA C 7 58.227 58.227 60.135 -1.908 18714 3261 1 9 . 1 1 7 7 PHE CB C 7 39.213 39.213 38.751 0.462 18714 3262 1 9 . 1 1 7 7 PHE H H 7 8.236 8.236 8.168 0.068 18714 3263 1 9 . 1 1 8 8 GLY N N 8 109.715 109.715 106.683 3.032 18714 3264 1 9 . 1 1 8 8 GLY C C 8 174.124 174.124 172.836 1.288 18714 3265 1 9 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.286 1.080 18714 3266 1 9 . 1 1 8 8 GLY H H 8 8.256 8.256 7.873 0.383 18714 3267 1 9 . 1 1 9 9 ILE N N 9 120.361 120.361 123.435 -3.074 18714 3268 1 9 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.335 -0.223 18714 3269 1 9 . 1 1 9 9 ILE C C 9 176.429 176.429 176.533 -0.104 18714 3270 1 9 . 1 1 9 9 ILE CA C 9 61.453 61.453 60.644 0.809 18714 3271 1 9 . 1 1 9 9 ILE CB C 9 38.386 38.386 36.892 1.494 18714 3272 1 9 . 1 1 9 9 ILE H H 9 7.975 7.975 8.409 -0.434 18714 3273 1 9 . 1 1 10 10 ARG N N 10 124.698 124.698 127.306 -2.608 18714 3274 1 9 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.352 -0.026 18714 3275 1 9 . 1 1 10 10 ARG C C 10 175.925 175.925 176.646 -0.721 18714 3276 1 9 . 1 1 10 10 ARG CA C 10 55.824 55.824 56.978 -1.154 18714 3277 1 9 . 1 1 10 10 ARG CB C 10 30.482 30.482 30.370 0.112 18714 3278 1 9 . 1 1 10 10 ARG H H 10 8.407 8.407 8.200 0.207 18714 3279 1 9 . 1 1 11 11 ALA N N 11 124.966 124.966 121.999 2.967 18714 3280 1 9 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.332 -0.059 18714 3281 1 9 . 1 1 11 11 ALA C C 11 177.715 177.715 176.551 1.164 18714 3282 1 9 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.071 0.454 18714 3283 1 9 . 1 1 11 11 ALA CB C 11 19.094 19.094 17.428 1.666 18714 3284 1 9 . 1 1 11 11 ALA H H 11 8.257 8.257 8.132 0.125 18714 3285 1 9 . 1 1 12 12 LYS N N 12 120.850 120.850 121.760 -0.910 18714 3286 1 9 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.325 -0.000 18714 3287 1 9 . 1 1 12 12 LYS C C 12 176.655 176.655 176.295 0.360 18714 3288 1 9 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.590 -0.476 18714 3289 1 9 . 1 1 12 12 LYS CB C 12 32.985 32.985 33.762 -0.777 18714 3290 1 9 . 1 1 12 12 LYS H H 12 8.217 8.217 8.206 0.011 18714 3291 1 9 . 1 1 13 13 LYS N N 13 122.258 122.258 122.734 -0.476 18714 3292 1 9 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.516 0.092 18714 3293 1 9 . 1 1 13 13 LYS C C 13 177.005 177.005 177.281 -0.276 18714 3294 1 9 . 1 1 13 13 LYS CA C 13 55.875 55.875 55.298 0.577 18714 3295 1 9 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.153 2.578 18714 3296 1 9 . 1 1 13 13 LYS H H 13 8.317 8.317 8.036 0.281 18714 3297 1 9 . 1 1 14 14 THR N N 14 113.409 113.409 116.998 -3.589 18714 3298 1 9 . 1 1 14 14 THR HA H 14 4.387 4.387 4.609 -0.222 18714 3299 1 9 . 1 1 14 14 THR C C 14 175.215 175.215 175.392 -0.177 18714 3300 1 9 . 1 1 14 14 THR CA C 14 61.057 61.057 60.918 0.139 18714 3301 1 9 . 1 1 14 14 THR CB C 14 70.754 70.754 70.830 -0.076 18714 3302 1 9 . 1 1 14 14 THR H H 14 8.747 8.747 8.378 0.369 18714 3303 1 9 . 1 1 15 15 LYS N N 15 120.711 120.711 122.850 -2.139 18714 3304 1 9 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.019 -0.056 18714 3305 1 9 . 1 1 15 15 LYS C C 15 178.898 178.898 178.803 0.095 18714 3306 1 9 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.605 -0.018 18714 3307 1 9 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.224 -0.208 18714 3308 1 9 . 1 1 15 15 LYS H H 15 8.804 8.804 8.842 -0.038 18714 3309 1 9 . 1 1 16 16 GLU N N 16 119.447 119.447 117.864 1.583 18714 3310 1 9 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.043 -0.000 18714 3311 1 9 . 1 1 16 16 GLU C C 16 179.536 179.536 178.932 0.604 18714 3312 1 9 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.160 0.951 18714 3313 1 9 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.441 -0.744 18714 3314 1 9 . 1 1 16 16 GLU H H 16 8.715 8.715 8.478 0.237 18714 3315 1 9 . 1 1 17 17 GLN N N 17 119.610 119.610 119.656 -0.046 18714 3316 1 9 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.908 -0.047 18714 3317 1 9 . 1 1 17 17 GLN C C 17 177.725 177.725 178.161 -0.436 18714 3318 1 9 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.754 0.131 18714 3319 1 9 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.830 -0.129 18714 3320 1 9 . 1 1 17 17 GLN H H 17 7.811 7.811 7.543 0.268 18714 3321 1 9 . 1 1 18 18 LEU N N 18 116.893 116.893 120.400 -3.507 18714 3322 1 9 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.585 -0.001 18714 3323 1 9 . 1 1 18 18 LEU C C 18 178.250 178.250 178.354 -0.104 18714 3324 1 9 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.566 -0.338 18714 3325 1 9 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.938 -0.275 18714 3326 1 9 . 1 1 18 18 LEU H H 18 8.190 8.190 8.196 -0.006 18714 3327 1 9 . 1 1 19 19 ALA N N 19 120.561 120.561 120.919 -0.358 18714 3328 1 9 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.971 0.016 18714 3329 1 9 . 1 1 19 19 ALA C C 19 180.071 180.071 179.536 0.535 18714 3330 1 9 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.631 -0.500 18714 3331 1 9 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.813 0.108 18714 3332 1 9 . 1 1 19 19 ALA H H 19 8.013 8.013 7.830 0.183 18714 3333 1 9 . 1 1 20 20 GLU N N 20 115.648 115.648 118.247 -2.599 18714 3334 1 9 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.055 -0.018 18714 3335 1 9 . 1 1 20 20 GLU C C 20 179.526 179.526 179.004 0.522 18714 3336 1 9 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.813 -0.869 18714 3337 1 9 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.082 -0.222 18714 3338 1 9 . 1 1 20 20 GLU H H 20 7.165 7.165 7.768 -0.603 18714 3339 1 9 . 1 1 21 21 LEU N N 21 120.140 120.140 119.675 0.465 18714 3340 1 9 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.740 -0.182 18714 3341 1 9 . 1 1 21 21 LEU C C 21 177.344 177.344 178.725 -1.381 18714 3342 1 9 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.098 0.813 18714 3343 1 9 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.303 -2.471 18714 3344 1 9 . 1 1 21 21 LEU H H 21 7.428 7.428 7.473 -0.045 18714 3345 1 9 . 1 1 22 22 LYS N N 22 117.352 117.352 119.377 -2.025 18714 3346 1 9 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.338 -0.362 18714 3347 1 9 . 1 1 22 22 LYS C C 22 178.805 178.805 179.132 -0.327 18714 3348 1 9 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.123 1.159 18714 3349 1 9 . 1 1 22 22 LYS CB C 22 32.174 32.174 31.910 0.264 18714 3350 1 9 . 1 1 22 22 LYS H H 22 8.021 8.021 7.710 0.311 18714 3351 1 9 . 1 1 23 23 VAL N N 23 117.470 117.470 118.761 -1.291 18714 3352 1 9 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.794 -0.097 18714 3353 1 9 . 1 1 23 23 VAL C C 23 178.291 178.291 178.602 -0.311 18714 3354 1 9 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.419 0.002 18714 3355 1 9 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.766 0.944 18714 3356 1 9 . 1 1 23 23 VAL H H 23 7.618 7.618 7.675 -0.057 18714 3357 1 9 . 1 1 24 24 SER N N 24 113.371 113.371 115.522 -2.151 18714 3358 1 9 . 1 1 24 24 SER HA H 24 4.247 4.247 4.324 -0.077 18714 3359 1 9 . 1 1 24 24 SER C C 24 177.015 177.015 176.276 0.739 18714 3360 1 9 . 1 1 24 24 SER CA C 24 61.550 61.550 61.018 0.532 18714 3361 1 9 . 1 1 24 24 SER CB C 24 62.987 62.987 63.209 -0.222 18714 3362 1 9 . 1 1 24 24 SER H H 24 7.340 7.340 7.621 -0.281 18714 3363 1 9 . 1 1 25 25 TYR N N 25 120.532 120.532 123.950 -3.418 18714 3364 1 9 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.665 -0.413 18714 3365 1 9 . 1 1 25 25 TYR C C 25 176.470 176.470 177.672 -1.202 18714 3366 1 9 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.697 0.098 18714 3367 1 9 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.815 -0.204 18714 3368 1 9 . 1 1 25 25 TYR H H 25 8.888 8.888 8.191 0.697 18714 3369 1 9 . 1 1 26 26 LEU N N 26 115.079 115.079 117.159 -2.080 18714 3370 1 9 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.999 0.036 18714 3371 1 9 . 1 1 26 26 LEU C C 26 179.021 179.021 178.709 0.312 18714 3372 1 9 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.878 -0.028 18714 3373 1 9 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.739 0.244 18714 3374 1 9 . 1 1 26 26 LEU H H 26 7.953 7.953 8.143 -0.190 18714 3375 1 9 . 1 1 27 27 LYS N N 27 119.058 119.058 117.142 1.916 18714 3376 1 9 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.225 -0.056 18714 3377 1 9 . 1 1 27 27 LYS C C 27 177.375 177.375 176.447 0.928 18714 3378 1 9 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.857 0.644 18714 3379 1 9 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.138 -0.505 18714 3380 1 9 . 1 1 27 27 LYS H H 27 7.503 7.503 7.798 -0.295 18714 3381 1 9 . 1 1 28 28 ASN N N 28 116.296 116.296 114.506 1.790 18714 3382 1 9 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.627 -0.107 18714 3383 1 9 . 1 1 28 28 ASN C C 28 174.134 174.134 174.917 -0.783 18714 3384 1 9 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.781 0.924 18714 3385 1 9 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.210 0.156 18714 3386 1 9 . 1 1 28 28 ASN H H 28 8.163 8.163 8.042 0.121 18714 3387 1 9 . 1 1 29 29 GLN N N 29 123.819 123.819 122.532 1.287 18714 3388 1 9 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.788 0.062 18714 3389 1 9 . 1 1 29 29 GLN C C 29 173.785 173.785 173.390 0.395 18714 3390 1 9 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.687 -0.084 18714 3391 1 9 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.477 -0.247 18714 3392 1 9 . 1 1 29 29 GLN H H 29 8.560 8.560 8.310 0.250 18714 3393 1 9 . 1 1 30 30 PHE N N 30 116.997 116.997 115.658 1.339 18714 3394 1 9 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.627 0.115 18714 3395 1 9 . 1 1 30 30 PHE CA C 30 53.470 53.470 53.487 -0.017 18714 3396 1 9 . 1 1 30 30 PHE CB C 30 39.136 39.136 38.560 0.576 18714 3397 1 9 . 1 1 30 30 PHE H H 30 8.014 8.014 7.855 0.159 18714 3398 1 9 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.390 -0.411 18714 3399 1 9 . 1 1 31 31 PRO C C 31 177.285 177.285 176.224 1.061 18714 3400 1 9 . 1 1 31 31 PRO CA C 31 62.264 62.264 61.852 0.412 18714 3401 1 9 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.778 -2.001 18714 3402 1 9 . 1 1 32 32 HIS N N 32 120.779 120.779 117.800 2.979 18714 3403 1 9 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.505 0.070 18714 3404 1 9 . 1 1 32 32 HIS C C 32 176.601 176.601 176.262 0.339 18714 3405 1 9 . 1 1 32 32 HIS CA C 32 55.416 55.416 57.246 -1.830 18714 3406 1 9 . 1 1 32 32 HIS CB C 32 31.396 31.396 31.077 0.319 18714 3407 1 9 . 1 1 32 32 HIS H H 32 8.401 8.401 8.435 -0.035 18714 3408 1 9 . 1 1 33 33 ASP N N 33 124.390 124.390 122.352 2.038 18714 3409 1 9 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.430 -0.154 18714 3410 1 9 . 1 1 33 33 ASP C C 33 178.064 178.064 178.102 -0.038 18714 3411 1 9 . 1 1 33 33 ASP CA C 33 58.486 58.486 57.805 0.681 18714 3412 1 9 . 1 1 33 33 ASP CB C 33 40.451 40.451 41.223 -0.772 18714 3413 1 9 . 1 1 33 33 ASP H H 33 8.691 8.691 8.854 -0.163 18714 3414 1 9 . 1 1 34 34 SER N N 34 114.256 114.256 114.807 -0.551 18714 3415 1 9 . 1 1 34 34 SER HA H 34 4.109 4.109 4.163 -0.054 18714 3416 1 9 . 1 1 34 34 SER C C 34 176.645 176.645 176.390 0.255 18714 3417 1 9 . 1 1 34 34 SER CA C 34 60.282 60.282 61.498 -1.216 18714 3418 1 9 . 1 1 34 34 SER CB C 34 61.931 61.931 62.866 -0.935 18714 3419 1 9 . 1 1 34 34 SER H H 34 9.494 9.494 8.735 0.759 18714 3420 1 9 . 1 1 35 35 GLU N N 35 126.075 126.075 122.869 3.206 18714 3421 1 9 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.144 0.759 18714 3422 1 9 . 1 1 35 35 GLU C C 35 177.715 177.715 178.357 -0.642 18714 3423 1 9 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.002 -2.118 18714 3424 1 9 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.254 -0.733 18714 3425 1 9 . 1 1 35 35 GLU H H 35 7.493 7.493 8.143 -0.650 18714 3426 1 9 . 1 1 36 36 ILE N N 36 120.906 120.906 119.902 1.004 18714 3427 1 9 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.774 -0.171 18714 3428 1 9 . 1 1 36 36 ILE C C 36 177.725 177.725 178.362 -0.637 18714 3429 1 9 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.338 -0.393 18714 3430 1 9 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.949 -2.076 18714 3431 1 9 . 1 1 36 36 ILE H H 36 7.697 7.697 7.627 0.070 18714 3432 1 9 . 1 1 37 37 ILE N N 37 119.451 119.451 119.479 -0.028 18714 3433 1 9 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.599 0.360 18714 3434 1 9 . 1 1 37 37 ILE C C 37 178.085 178.085 177.811 0.274 18714 3435 1 9 . 1 1 37 37 ILE CA C 37 64.734 64.734 65.253 -0.519 18714 3436 1 9 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.486 0.295 18714 3437 1 9 . 1 1 37 37 ILE H H 37 8.229 8.229 7.744 0.485 18714 3438 1 9 . 1 1 38 38 ARG N N 38 122.344 122.344 120.430 1.914 18714 3439 1 9 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.068 -0.100 18714 3440 1 9 . 1 1 38 38 ARG C C 38 179.165 179.165 178.891 0.274 18714 3441 1 9 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.009 0.912 18714 3442 1 9 . 1 1 38 38 ARG CB C 38 30.663 30.663 29.833 0.830 18714 3443 1 9 . 1 1 38 38 ARG H H 38 7.664 7.664 7.764 -0.100 18714 3444 1 9 . 1 1 39 39 LEU N N 39 117.479 117.479 119.237 -1.758 18714 3445 1 9 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.980 0.046 18714 3446 1 9 . 1 1 39 39 LEU C C 39 181.316 181.316 178.969 2.347 18714 3447 1 9 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.696 -0.116 18714 3448 1 9 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.587 1.797 18714 3449 1 9 . 1 1 39 39 LEU H H 39 8.629 8.629 8.257 0.372 18714 3450 1 9 . 1 1 40 40 MET N N 40 126.468 126.468 118.151 8.317 18714 3451 1 9 . 1 1 40 40 MET HA H 40 3.957 3.957 4.177 -0.220 18714 3452 1 9 . 1 1 40 40 MET C C 40 178.466 178.466 178.403 0.063 18714 3453 1 9 . 1 1 40 40 MET CA C 40 60.109 60.109 59.169 0.940 18714 3454 1 9 . 1 1 40 40 MET CB C 40 34.065 34.065 32.528 1.537 18714 3455 1 9 . 1 1 40 40 MET H H 40 9.112 9.112 7.884 1.228 18714 3456 1 9 . 1 1 41 41 LYS N N 41 119.282 119.282 118.139 1.143 18714 3457 1 9 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.064 -0.024 18714 3458 1 9 . 1 1 41 41 LYS C C 41 178.805 178.805 178.657 0.148 18714 3459 1 9 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.796 0.419 18714 3460 1 9 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.391 -0.264 18714 3461 1 9 . 1 1 41 41 LYS H H 41 7.721 7.721 7.388 0.333 18714 3462 1 9 . 1 1 42 42 ILE N N 42 114.582 114.582 119.584 -5.002 18714 3463 1 9 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.011 0.139 18714 3464 1 9 . 1 1 42 42 ILE C C 42 177.365 177.365 178.231 -0.866 18714 3465 1 9 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.434 -0.717 18714 3466 1 9 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.644 1.186 18714 3467 1 9 . 1 1 42 42 ILE H H 42 7.804 7.804 7.675 0.129 18714 3468 1 9 . 1 1 43 43 THR N N 43 107.511 107.511 112.064 -4.553 18714 3469 1 9 . 1 1 43 43 THR HA H 43 4.536 4.536 4.143 0.393 18714 3470 1 9 . 1 1 43 43 THR C C 43 176.120 176.120 175.930 0.190 18714 3471 1 9 . 1 1 43 43 THR CA C 43 63.136 63.136 64.244 -1.108 18714 3472 1 9 . 1 1 43 43 THR CB C 43 72.060 72.060 69.582 2.478 18714 3473 1 9 . 1 1 43 43 THR H H 43 8.313 8.313 8.204 0.109 18714 3474 1 9 . 1 1 44 44 GLY N N 44 111.235 111.235 109.975 1.260 18714 3475 1 9 . 1 1 44 44 GLY C C 44 174.134 174.134 174.442 -0.308 18714 3476 1 9 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.986 0.819 18714 3477 1 9 . 1 1 44 44 GLY H H 44 8.055 8.055 7.700 0.355 18714 3478 1 9 . 1 1 45 45 LEU N N 45 120.586 120.586 120.157 0.429 18714 3479 1 9 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.831 -0.326 18714 3480 1 9 . 1 1 45 45 LEU C C 45 176.634 176.634 176.496 0.138 18714 3481 1 9 . 1 1 45 45 LEU CA C 45 53.757 53.757 52.827 0.930 18714 3482 1 9 . 1 1 45 45 LEU CB C 45 43.306 43.306 43.668 -0.362 18714 3483 1 9 . 1 1 45 45 LEU H H 45 7.708 7.708 7.793 -0.085 18714 3484 1 9 . 1 1 46 46 THR N N 46 109.308 109.308 108.916 0.392 18714 3485 1 9 . 1 1 46 46 THR HA H 46 4.325 4.325 4.472 -0.147 18714 3486 1 9 . 1 1 46 46 THR C C 46 175.215 175.215 175.597 -0.382 18714 3487 1 9 . 1 1 46 46 THR CA C 46 60.914 60.914 60.827 0.087 18714 3488 1 9 . 1 1 46 46 THR CB C 46 71.237 71.237 70.293 0.944 18714 3489 1 9 . 1 1 46 46 THR H H 46 8.570 8.570 8.118 0.452 18714 3490 1 9 . 1 1 47 47 LYS N N 47 121.342 121.342 123.388 -2.046 18714 3491 1 9 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.995 -0.310 18714 3492 1 9 . 1 1 47 47 LYS C C 47 178.805 178.805 178.721 0.084 18714 3493 1 9 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.406 0.386 18714 3494 1 9 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.177 0.157 18714 3495 1 9 . 1 1 47 47 LYS H H 47 8.797 8.797 8.516 0.281 18714 3496 1 9 . 1 1 48 48 GLY N N 48 104.143 104.143 105.908 -1.765 18714 3497 1 9 . 1 1 48 48 GLY C C 48 177.149 177.149 176.252 0.897 18714 3498 1 9 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.792 0.097 18714 3499 1 9 . 1 1 48 48 GLY H H 48 8.715 8.715 8.636 0.079 18714 3500 1 9 . 1 1 49 49 GLU N N 49 121.943 121.943 122.568 -0.625 18714 3501 1 9 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.147 -0.057 18714 3502 1 9 . 1 1 49 49 GLU C C 49 179.886 179.886 178.939 0.947 18714 3503 1 9 . 1 1 49 49 GLU CA C 49 59.183 59.183 58.489 0.694 18714 3504 1 9 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.334 1.356 18714 3505 1 9 . 1 1 49 49 GLU H H 49 7.851 7.851 7.616 0.235 18714 3506 1 9 . 1 1 50 50 ILE N N 50 121.748 121.748 120.113 1.635 18714 3507 1 9 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.597 0.163 18714 3508 1 9 . 1 1 50 50 ILE C C 50 177.735 177.735 178.079 -0.344 18714 3509 1 9 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.093 1.026 18714 3510 1 9 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.759 0.353 18714 3511 1 9 . 1 1 50 50 ILE H H 50 8.224 8.224 8.022 0.202 18714 3512 1 9 . 1 1 51 51 LYS N N 51 119.119 119.119 119.689 -0.570 18714 3513 1 9 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.460 -0.399 18714 3514 1 9 . 1 1 51 51 LYS C C 51 179.526 179.526 179.518 0.008 18714 3515 1 9 . 1 1 51 51 LYS CA C 51 61.120 61.120 58.951 2.169 18714 3516 1 9 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.058 -0.162 18714 3517 1 9 . 1 1 51 51 LYS H H 51 8.842 8.842 7.919 0.923 18714 3518 1 9 . 1 1 52 52 LYS N N 52 120.252 120.252 119.340 0.912 18714 3519 1 9 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.115 0.079 18714 3520 1 9 . 1 1 52 52 LYS C C 52 176.830 176.830 178.641 -1.811 18714 3521 1 9 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.141 -0.391 18714 3522 1 9 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.324 0.063 18714 3523 1 9 . 1 1 52 52 LYS H H 52 8.208 8.208 8.040 0.168 18714 3524 1 9 . 1 1 53 53 TRP N N 53 120.333 120.333 122.604 -2.271 18714 3525 1 9 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.230 -0.041 18714 3526 1 9 . 1 1 53 53 TRP C C 53 180.266 180.266 177.963 2.303 18714 3527 1 9 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.118 1.601 18714 3528 1 9 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.162 -1.008 18714 3529 1 9 . 1 1 53 53 TRP H H 53 8.132 8.132 7.696 0.436 18714 3530 1 9 . 1 1 54 54 PHE N N 54 120.742 120.742 115.550 5.192 18714 3531 1 9 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.845 -0.131 18714 3532 1 9 . 1 1 54 54 PHE C C 54 177.488 177.488 178.209 -0.721 18714 3533 1 9 . 1 1 54 54 PHE CA C 54 63.893 63.893 61.798 2.095 18714 3534 1 9 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.518 0.884 18714 3535 1 9 . 1 1 54 54 PHE H H 54 8.903 8.903 7.938 0.965 18714 3536 1 9 . 1 1 55 55 SER N N 55 113.136 113.136 114.926 -1.790 18714 3537 1 9 . 1 1 55 55 SER HA H 55 4.063 4.063 4.190 -0.127 18714 3538 1 9 . 1 1 55 55 SER C C 55 177.571 177.571 176.654 0.917 18714 3539 1 9 . 1 1 55 55 SER CA C 55 62.419 62.419 61.703 0.716 18714 3540 1 9 . 1 1 55 55 SER CB C 55 62.673 62.673 62.928 -0.255 18714 3541 1 9 . 1 1 55 55 SER H H 55 8.136 8.136 7.824 0.312 18714 3542 1 9 . 1 1 56 56 ASP N N 56 122.871 122.871 121.771 1.100 18714 3543 1 9 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.359 -0.061 18714 3544 1 9 . 1 1 56 56 ASP C C 56 178.085 178.085 178.496 -0.411 18714 3545 1 9 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.271 -0.308 18714 3546 1 9 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.737 -1.016 18714 3547 1 9 . 1 1 56 56 ASP H H 56 9.091 9.091 7.652 1.439 18714 3548 1 9 . 1 1 57 57 THR N N 57 118.957 118.957 116.649 2.308 18714 3549 1 9 . 1 1 57 57 THR HA H 57 3.335 3.335 3.597 -0.262 18714 3550 1 9 . 1 1 57 57 THR C C 57 175.925 175.925 175.808 0.117 18714 3551 1 9 . 1 1 57 57 THR CA C 57 67.064 67.064 66.055 1.009 18714 3552 1 9 . 1 1 57 57 THR CB C 57 67.387 67.387 67.758 -0.371 18714 3553 1 9 . 1 1 57 57 THR H H 57 7.926 7.926 7.845 0.081 18714 3554 1 9 . 1 1 58 58 ARG N N 58 120.980 120.980 121.454 -0.474 18714 3555 1 9 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.061 0.140 18714 3556 1 9 . 1 1 58 58 ARG C C 58 179.536 179.536 177.965 1.571 18714 3557 1 9 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.114 0.862 18714 3558 1 9 . 1 1 58 58 ARG CB C 58 31.394 31.394 30.234 1.160 18714 3559 1 9 . 1 1 58 58 ARG H H 58 8.139 8.139 7.363 0.776 18714 3560 1 9 . 1 1 59 59 TYR N N 59 119.449 119.449 118.100 1.349 18714 3561 1 9 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.305 -0.161 18714 3562 1 9 . 1 1 59 59 TYR C C 59 178.075 178.075 176.617 1.458 18714 3563 1 9 . 1 1 59 59 TYR CA C 59 61.320 61.320 60.305 1.015 18714 3564 1 9 . 1 1 59 59 TYR CB C 59 38.002 38.002 39.074 -1.072 18714 3565 1 9 . 1 1 59 59 TYR H H 59 8.004 8.004 7.516 0.488 18714 3566 1 9 . 1 1 60 60 ASN N N 60 118.169 118.169 117.543 0.626 18714 3567 1 9 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.223 0.131 18714 3568 1 9 . 1 1 60 60 ASN C C 60 177.005 177.005 178.058 -1.053 18714 3569 1 9 . 1 1 60 60 ASN CA C 60 55.160 55.160 56.105 -0.945 18714 3570 1 9 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.367 -0.075 18714 3571 1 9 . 1 1 60 60 ASN H H 60 8.354 8.354 7.895 0.459 18714 3572 1 9 . 1 1 61 61 GLN N N 61 118.671 118.671 117.173 1.498 18714 3573 1 9 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.080 0.061 18714 3574 1 9 . 1 1 61 61 GLN C C 61 177.046 177.046 177.289 -0.243 18714 3575 1 9 . 1 1 61 61 GLN CA C 61 57.217 57.217 58.029 -0.812 18714 3576 1 9 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.684 -0.218 18714 3577 1 9 . 1 1 61 61 GLN H H 61 7.971 7.971 7.903 0.068 18714 3578 1 9 . 1 1 62 62 ARG N N 62 119.140 119.140 115.995 3.145 18714 3579 1 9 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.395 -0.206 18714 3580 1 9 . 1 1 62 62 ARG C C 62 176.655 176.655 176.536 0.119 18714 3581 1 9 . 1 1 62 62 ARG CA C 62 57.462 57.462 56.782 0.680 18714 3582 1 9 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.626 -0.730 18714 3583 1 9 . 1 1 62 62 ARG H H 62 7.690 7.690 7.511 0.179 18714 3584 1 9 . 1 1 63 63 ASN N N 63 117.472 117.472 118.766 -1.294 18714 3585 1 9 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.741 -0.007 18714 3586 1 9 . 1 1 63 63 ASN C C 63 175.194 175.194 173.741 1.453 18714 3587 1 9 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.932 0.209 18714 3588 1 9 . 1 1 63 63 ASN CB C 63 38.875 38.875 39.337 -0.462 18714 3589 1 9 . 1 1 63 63 ASN H H 63 8.003 8.003 7.595 0.408 18714 3590 1 9 . 1 1 64 64 SER N N 64 115.768 115.768 117.143 -1.375 18714 3591 1 9 . 1 1 64 64 SER HA H 64 4.402 4.402 4.380 0.022 18714 3592 1 9 . 1 1 64 64 SER C C 64 174.721 174.721 174.735 -0.014 18714 3593 1 9 . 1 1 64 64 SER CA C 64 58.758 58.758 58.819 -0.061 18714 3594 1 9 . 1 1 64 64 SER CB C 64 63.620 63.620 62.827 0.793 18714 3595 1 9 . 1 1 64 64 SER H H 64 7.942 7.942 7.877 0.065 18714 3596 1 9 . 1 1 65 65 LYS N N 65 122.579 122.579 129.896 -7.317 18714 3597 1 9 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.450 -0.140 18714 3598 1 9 . 1 1 65 65 LYS C C 65 176.665 176.665 175.853 0.812 18714 3599 1 9 . 1 1 65 65 LYS CA C 65 56.366 56.366 54.504 1.862 18714 3600 1 9 . 1 1 65 65 LYS CB C 65 33.054 33.054 31.741 1.313 18714 3601 1 9 . 1 1 65 65 LYS H H 65 8.319 8.319 8.037 0.282 18714 3602 1 9 . 1 1 66 66 SER N N 66 115.560 115.560 120.074 -4.514 18714 3603 1 9 . 1 1 66 66 SER HA H 66 4.425 4.425 4.534 -0.109 18714 3604 1 9 . 1 1 66 66 SER CA C 66 58.577 58.577 58.118 0.459 18714 3605 1 9 . 1 1 66 66 SER CB C 66 63.670 63.670 62.497 1.173 18714 3606 1 9 . 1 1 66 66 SER H H 66 8.184 8.184 8.260 -0.076 18714 3607 1 9 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.957 -0.254 18714 3608 1 9 . 1 1 67 67 ASN C C 67 175.196 175.196 175.372 -0.176 18714 3609 1 9 . 1 1 67 67 ASN CA C 67 53.417 53.417 52.907 0.510 18714 3610 1 9 . 1 1 67 67 ASN CB C 67 38.593 38.593 39.661 -1.069 18714 3611 1 9 . 1 1 68 68 GLN N N 68 120.106 120.106 123.362 -3.256 18714 3612 1 9 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.352 -0.049 18714 3613 1 9 . 1 1 68 68 GLN C C 68 175.708 175.708 176.023 -0.315 18714 3614 1 9 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.259 0.913 18714 3615 1 9 . 1 1 68 68 GLN CB C 68 29.172 29.172 29.520 -0.348 18714 3616 1 9 . 1 1 68 68 GLN H H 68 8.283 8.283 8.651 -0.368 18714 3617 1 9 . 1 1 69 69 CYS N N 69 119.599 119.599 120.416 -0.817 18714 3618 1 9 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.359 0.045 18714 3619 1 9 . 1 1 69 69 CYS C C 69 174.412 174.412 176.185 -1.773 18714 3620 1 9 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.367 -0.674 18714 3621 1 9 . 1 1 69 69 CYS CB C 69 27.610 27.610 25.952 1.658 18714 3622 1 9 . 1 1 69 69 CYS H H 69 8.313 8.313 8.549 -0.236 18714 3623 1 9 . 1 1 70 70 LEU N N 70 123.832 123.832 125.119 -1.287 18714 3624 1 9 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.072 0.195 18714 3625 1 9 . 1 1 70 70 LEU C C 70 176.645 176.645 176.836 -0.191 18714 3626 1 9 . 1 1 70 70 LEU CA C 70 55.283 55.283 56.405 -1.122 18714 3627 1 9 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.322 -0.063 18714 3628 1 9 . 1 1 70 70 LEU H H 70 8.201 8.201 7.908 0.293 18714 3629 1 9 . 1 1 71 71 HIS N N 71 119.423 119.423 114.234 5.189 18714 3630 1 9 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.657 -0.009 18714 3631 1 9 . 1 1 71 71 HIS C C 71 174.494 174.494 174.753 -0.259 18714 3632 1 9 . 1 1 71 71 HIS CA C 71 55.424 55.424 55.230 0.194 18714 3633 1 9 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.564 0.123 18714 3634 1 9 . 1 1 71 71 HIS H H 71 8.308 8.308 8.028 0.280 18714 3635 1 9 . 1 1 72 72 LEU N N 72 122.990 122.990 123.202 -0.212 18714 3636 1 9 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.485 -0.152 18714 3637 1 9 . 1 1 72 72 LEU C C 72 176.645 176.645 176.007 0.638 18714 3638 1 9 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.068 0.913 18714 3639 1 9 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.726 -0.545 18714 3640 1 9 . 1 1 72 72 LEU H H 72 8.146 8.146 7.305 0.841 18714 3641 1 9 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.821 -0.088 18714 3642 1 9 . 1 1 73 73 ASN C C 73 173.774 173.774 174.600 -0.826 18714 3643 1 9 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.078 -0.045 18714 3644 1 9 . 1 1 73 73 ASN CB C 73 38.928 38.928 38.407 0.521 18714 3645 1 9 . 1 1 73 73 ASN H H 73 8.428 8.428 8.801 -0.373 18714 3646 1 10 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.528 -0.144 18714 3647 1 10 . 1 1 4 4 PRO C C 4 176.388 176.388 176.043 0.345 18714 3648 1 10 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.786 0.311 18714 3649 1 10 . 1 1 4 4 PRO CB C 4 32.056 32.056 31.971 0.085 18714 3650 1 10 . 1 1 5 5 ASP N N 5 120.482 120.482 120.641 -0.159 18714 3651 1 10 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.657 -0.113 18714 3652 1 10 . 1 1 5 5 ASP C C 5 176.336 176.336 176.124 0.212 18714 3653 1 10 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.970 -0.648 18714 3654 1 10 . 1 1 5 5 ASP CB C 5 41.006 41.006 41.322 -0.316 18714 3655 1 10 . 1 1 5 5 ASP H H 5 8.415 8.415 8.159 0.256 18714 3656 1 10 . 1 1 6 6 SER N N 6 115.481 115.481 116.406 -0.925 18714 3657 1 10 . 1 1 6 6 SER HA H 6 4.326 4.326 4.662 -0.336 18714 3658 1 10 . 1 1 6 6 SER C C 6 174.494 174.494 173.397 1.097 18714 3659 1 10 . 1 1 6 6 SER CA C 6 58.559 58.559 57.546 1.013 18714 3660 1 10 . 1 1 6 6 SER CB C 6 63.461 63.461 64.250 -0.789 18714 3661 1 10 . 1 1 6 6 SER H H 6 8.146 8.146 8.184 -0.038 18714 3662 1 10 . 1 1 7 7 PHE N N 7 121.475 121.475 124.946 -3.471 18714 3663 1 10 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.479 0.080 18714 3664 1 10 . 1 1 7 7 PHE C C 7 176.285 176.285 175.559 0.726 18714 3665 1 10 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.675 0.552 18714 3666 1 10 . 1 1 7 7 PHE CB C 7 39.213 39.213 39.262 -0.049 18714 3667 1 10 . 1 1 7 7 PHE H H 7 8.236 8.236 8.644 -0.408 18714 3668 1 10 . 1 1 8 8 GLY N N 8 109.715 109.715 113.078 -3.363 18714 3669 1 10 . 1 1 8 8 GLY C C 8 174.124 174.124 174.244 -0.120 18714 3670 1 10 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.725 0.641 18714 3671 1 10 . 1 1 8 8 GLY H H 8 8.256 8.256 7.836 0.420 18714 3672 1 10 . 1 1 9 9 ILE N N 9 120.361 120.361 120.808 -0.447 18714 3673 1 10 . 1 1 9 9 ILE HA H 9 4.112 4.112 3.812 0.300 18714 3674 1 10 . 1 1 9 9 ILE C C 9 176.429 176.429 176.138 0.291 18714 3675 1 10 . 1 1 9 9 ILE CA C 9 61.453 61.453 60.866 0.587 18714 3676 1 10 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.916 0.470 18714 3677 1 10 . 1 1 9 9 ILE H H 9 7.975 7.975 7.341 0.634 18714 3678 1 10 . 1 1 10 10 ARG N N 10 124.698 124.698 128.950 -4.252 18714 3679 1 10 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.054 0.272 18714 3680 1 10 . 1 1 10 10 ARG C C 10 175.925 175.925 176.085 -0.160 18714 3681 1 10 . 1 1 10 10 ARG CA C 10 55.824 55.824 57.251 -1.427 18714 3682 1 10 . 1 1 10 10 ARG CB C 10 30.482 30.482 30.796 -0.314 18714 3683 1 10 . 1 1 10 10 ARG H H 10 8.407 8.407 8.473 -0.066 18714 3684 1 10 . 1 1 11 11 ALA N N 11 124.966 124.966 121.696 3.270 18714 3685 1 10 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.064 0.209 18714 3686 1 10 . 1 1 11 11 ALA C C 11 177.715 177.715 176.519 1.196 18714 3687 1 10 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.634 -0.109 18714 3688 1 10 . 1 1 11 11 ALA CB C 11 19.094 19.094 17.962 1.132 18714 3689 1 10 . 1 1 11 11 ALA H H 11 8.257 8.257 7.642 0.615 18714 3690 1 10 . 1 1 12 12 LYS N N 12 120.850 120.850 121.850 -1.000 18714 3691 1 10 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.474 -0.149 18714 3692 1 10 . 1 1 12 12 LYS C C 12 176.655 176.655 176.183 0.472 18714 3693 1 10 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.020 0.094 18714 3694 1 10 . 1 1 12 12 LYS CB C 12 32.985 32.985 33.032 -0.047 18714 3695 1 10 . 1 1 12 12 LYS H H 12 8.217 8.217 8.313 -0.096 18714 3696 1 10 . 1 1 13 13 LYS N N 13 122.258 122.258 115.371 6.887 18714 3697 1 10 . 1 1 13 13 LYS HA H 13 4.608 4.608 3.976 0.632 18714 3698 1 10 . 1 1 13 13 LYS C C 13 177.005 177.005 176.452 0.553 18714 3699 1 10 . 1 1 13 13 LYS CA C 13 55.875 55.875 57.549 -1.674 18714 3700 1 10 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.989 1.742 18714 3701 1 10 . 1 1 13 13 LYS H H 13 8.317 8.317 8.543 -0.226 18714 3702 1 10 . 1 1 14 14 THR N N 14 113.409 113.409 112.091 1.318 18714 3703 1 10 . 1 1 14 14 THR HA H 14 4.387 4.387 4.600 -0.213 18714 3704 1 10 . 1 1 14 14 THR C C 14 175.215 175.215 175.554 -0.339 18714 3705 1 10 . 1 1 14 14 THR CA C 14 61.057 61.057 60.515 0.542 18714 3706 1 10 . 1 1 14 14 THR CB C 14 70.754 70.754 71.015 -0.261 18714 3707 1 10 . 1 1 14 14 THR H H 14 8.747 8.747 8.425 0.322 18714 3708 1 10 . 1 1 15 15 LYS N N 15 120.711 120.711 122.574 -1.863 18714 3709 1 10 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.137 -0.174 18714 3710 1 10 . 1 1 15 15 LYS C C 15 178.898 178.898 179.166 -0.268 18714 3711 1 10 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.745 -0.158 18714 3712 1 10 . 1 1 15 15 LYS CB C 15 32.016 32.016 31.976 0.040 18714 3713 1 10 . 1 1 15 15 LYS H H 15 8.804 8.804 8.828 -0.024 18714 3714 1 10 . 1 1 16 16 GLU N N 16 119.447 119.447 118.946 0.501 18714 3715 1 10 . 1 1 16 16 GLU HA H 16 4.043 4.043 3.996 0.047 18714 3716 1 10 . 1 1 16 16 GLU C C 16 179.536 179.536 178.878 0.658 18714 3717 1 10 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.796 0.315 18714 3718 1 10 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.223 -0.526 18714 3719 1 10 . 1 1 16 16 GLU H H 16 8.715 8.715 8.576 0.139 18714 3720 1 10 . 1 1 17 17 GLN N N 17 119.610 119.610 119.100 0.510 18714 3721 1 10 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.931 -0.070 18714 3722 1 10 . 1 1 17 17 GLN C C 17 177.725 177.725 178.289 -0.564 18714 3723 1 10 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.770 0.115 18714 3724 1 10 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.918 -0.217 18714 3725 1 10 . 1 1 17 17 GLN H H 17 7.811 7.811 7.694 0.117 18714 3726 1 10 . 1 1 18 18 LEU N N 18 116.893 116.893 119.933 -3.040 18714 3727 1 10 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.610 -0.026 18714 3728 1 10 . 1 1 18 18 LEU C C 18 178.250 178.250 178.187 0.063 18714 3729 1 10 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.259 -0.031 18714 3730 1 10 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.914 -0.251 18714 3731 1 10 . 1 1 18 18 LEU H H 18 8.190 8.190 8.238 -0.048 18714 3732 1 10 . 1 1 19 19 ALA N N 19 120.561 120.561 120.900 -0.339 18714 3733 1 10 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.882 0.105 18714 3734 1 10 . 1 1 19 19 ALA C C 19 180.071 180.071 179.704 0.367 18714 3735 1 10 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.198 -0.067 18714 3736 1 10 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.965 -0.044 18714 3737 1 10 . 1 1 19 19 ALA H H 19 8.013 8.013 7.765 0.248 18714 3738 1 10 . 1 1 20 20 GLU N N 20 115.648 115.648 118.493 -2.845 18714 3739 1 10 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.017 0.020 18714 3740 1 10 . 1 1 20 20 GLU C C 20 179.526 179.526 179.035 0.491 18714 3741 1 10 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.690 -0.746 18714 3742 1 10 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.182 -0.322 18714 3743 1 10 . 1 1 20 20 GLU H H 20 7.165 7.165 7.550 -0.385 18714 3744 1 10 . 1 1 21 21 LEU N N 21 120.140 120.140 119.703 0.437 18714 3745 1 10 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.762 -0.204 18714 3746 1 10 . 1 1 21 21 LEU C C 21 177.344 177.344 178.637 -1.293 18714 3747 1 10 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.272 0.639 18714 3748 1 10 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.429 -2.597 18714 3749 1 10 . 1 1 21 21 LEU H H 21 7.428 7.428 7.695 -0.267 18714 3750 1 10 . 1 1 22 22 LYS N N 22 117.352 117.352 119.334 -1.982 18714 3751 1 10 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.117 -0.141 18714 3752 1 10 . 1 1 22 22 LYS C C 22 178.805 178.805 179.129 -0.324 18714 3753 1 10 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.522 0.760 18714 3754 1 10 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.219 -0.045 18714 3755 1 10 . 1 1 22 22 LYS H H 22 8.021 8.021 7.347 0.674 18714 3756 1 10 . 1 1 23 23 VAL N N 23 117.470 117.470 119.805 -2.335 18714 3757 1 10 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.708 -0.011 18714 3758 1 10 . 1 1 23 23 VAL C C 23 178.291 178.291 177.996 0.295 18714 3759 1 10 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.394 0.027 18714 3760 1 10 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.769 0.941 18714 3761 1 10 . 1 1 23 23 VAL H H 23 7.618 7.618 7.565 0.053 18714 3762 1 10 . 1 1 24 24 SER N N 24 113.371 113.371 115.876 -2.505 18714 3763 1 10 . 1 1 24 24 SER HA H 24 4.247 4.247 4.207 0.040 18714 3764 1 10 . 1 1 24 24 SER C C 24 177.015 177.015 176.815 0.200 18714 3765 1 10 . 1 1 24 24 SER CA C 24 61.550 61.550 62.214 -0.664 18714 3766 1 10 . 1 1 24 24 SER CB C 24 62.987 62.987 63.221 -0.234 18714 3767 1 10 . 1 1 24 24 SER H H 24 7.340 7.340 7.686 -0.346 18714 3768 1 10 . 1 1 25 25 TYR N N 25 120.532 120.532 123.055 -2.523 18714 3769 1 10 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.783 -0.531 18714 3770 1 10 . 1 1 25 25 TYR C C 25 176.470 176.470 177.477 -1.007 18714 3771 1 10 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.556 0.239 18714 3772 1 10 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.679 -0.068 18714 3773 1 10 . 1 1 25 25 TYR H H 25 8.888 8.888 7.875 1.013 18714 3774 1 10 . 1 1 26 26 LEU N N 26 115.079 115.079 117.296 -2.217 18714 3775 1 10 . 1 1 26 26 LEU HA H 26 4.035 4.035 4.032 0.003 18714 3776 1 10 . 1 1 26 26 LEU C C 26 179.021 179.021 178.637 0.384 18714 3777 1 10 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.731 0.119 18714 3778 1 10 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.929 0.054 18714 3779 1 10 . 1 1 26 26 LEU H H 26 7.953 7.953 7.961 -0.008 18714 3780 1 10 . 1 1 27 27 LYS N N 27 119.058 119.058 118.331 0.727 18714 3781 1 10 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.153 0.016 18714 3782 1 10 . 1 1 27 27 LYS C C 27 177.375 177.375 176.708 0.667 18714 3783 1 10 . 1 1 27 27 LYS CA C 27 58.501 58.501 58.447 0.054 18714 3784 1 10 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.373 -0.740 18714 3785 1 10 . 1 1 27 27 LYS H H 27 7.503 7.503 7.855 -0.352 18714 3786 1 10 . 1 1 28 28 ASN N N 28 116.296 116.296 113.887 2.409 18714 3787 1 10 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.871 -0.351 18714 3788 1 10 . 1 1 28 28 ASN C C 28 174.134 174.134 174.644 -0.510 18714 3789 1 10 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.893 0.812 18714 3790 1 10 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.172 -0.806 18714 3791 1 10 . 1 1 28 28 ASN H H 28 8.163 8.163 8.069 0.094 18714 3792 1 10 . 1 1 29 29 GLN N N 29 123.819 123.819 118.542 5.277 18714 3793 1 10 . 1 1 29 29 GLN HA H 29 3.850 3.850 4.162 -0.312 18714 3794 1 10 . 1 1 29 29 GLN C C 29 173.785 173.785 174.657 -0.872 18714 3795 1 10 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.324 0.278 18714 3796 1 10 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.729 -0.499 18714 3797 1 10 . 1 1 29 29 GLN H H 29 8.560 8.560 8.681 -0.121 18714 3798 1 10 . 1 1 30 30 PHE N N 30 116.997 116.997 117.016 -0.019 18714 3799 1 10 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.832 -0.090 18714 3800 1 10 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.210 -0.740 18714 3801 1 10 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.367 -0.231 18714 3802 1 10 . 1 1 30 30 PHE H H 30 8.014 8.014 7.810 0.204 18714 3803 1 10 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.541 -0.562 18714 3804 1 10 . 1 1 31 31 PRO C C 31 177.285 177.285 176.197 1.088 18714 3805 1 10 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.075 0.189 18714 3806 1 10 . 1 1 31 31 PRO CB C 31 30.777 30.777 33.014 -2.237 18714 3807 1 10 . 1 1 32 32 HIS N N 32 120.779 120.779 118.753 2.026 18714 3808 1 10 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.667 -0.092 18714 3809 1 10 . 1 1 32 32 HIS C C 32 176.601 176.601 176.731 -0.130 18714 3810 1 10 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.142 -0.727 18714 3811 1 10 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.832 0.564 18714 3812 1 10 . 1 1 32 32 HIS H H 32 8.401 8.401 8.505 -0.104 18714 3813 1 10 . 1 1 33 33 ASP N N 33 124.390 124.390 122.631 1.759 18714 3814 1 10 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.320 -0.044 18714 3815 1 10 . 1 1 33 33 ASP C C 33 178.064 178.064 177.697 0.367 18714 3816 1 10 . 1 1 33 33 ASP CA C 33 58.486 58.486 58.415 0.071 18714 3817 1 10 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.833 -0.382 18714 3818 1 10 . 1 1 33 33 ASP H H 33 8.691 8.691 8.975 -0.284 18714 3819 1 10 . 1 1 34 34 SER N N 34 114.256 114.256 115.668 -1.412 18714 3820 1 10 . 1 1 34 34 SER HA H 34 4.109 4.109 4.087 0.022 18714 3821 1 10 . 1 1 34 34 SER C C 34 176.645 176.645 176.331 0.314 18714 3822 1 10 . 1 1 34 34 SER CA C 34 60.282 60.282 61.457 -1.175 18714 3823 1 10 . 1 1 34 34 SER CB C 34 61.931 61.931 62.916 -0.986 18714 3824 1 10 . 1 1 34 34 SER H H 34 9.494 9.494 8.341 1.153 18714 3825 1 10 . 1 1 35 35 GLU N N 35 126.075 126.075 122.817 3.258 18714 3826 1 10 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.153 0.750 18714 3827 1 10 . 1 1 35 35 GLU C C 35 177.715 177.715 178.615 -0.900 18714 3828 1 10 . 1 1 35 35 GLU CA C 35 56.884 56.884 58.700 -1.816 18714 3829 1 10 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.252 -0.731 18714 3830 1 10 . 1 1 35 35 GLU H H 35 7.493 7.493 8.289 -0.796 18714 3831 1 10 . 1 1 36 36 ILE N N 36 120.906 120.906 120.305 0.601 18714 3832 1 10 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.732 -0.129 18714 3833 1 10 . 1 1 36 36 ILE C C 36 177.725 177.725 178.070 -0.345 18714 3834 1 10 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.418 -0.473 18714 3835 1 10 . 1 1 36 36 ILE CB C 36 35.873 35.873 38.007 -2.134 18714 3836 1 10 . 1 1 36 36 ILE H H 36 7.697 7.697 7.924 -0.227 18714 3837 1 10 . 1 1 37 37 ILE N N 37 119.451 119.451 120.098 -0.647 18714 3838 1 10 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.744 0.215 18714 3839 1 10 . 1 1 37 37 ILE C C 37 178.085 178.085 178.285 -0.200 18714 3840 1 10 . 1 1 37 37 ILE CA C 37 64.734 64.734 64.945 -0.211 18714 3841 1 10 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.528 0.253 18714 3842 1 10 . 1 1 37 37 ILE H H 37 8.229 8.229 8.021 0.208 18714 3843 1 10 . 1 1 38 38 ARG N N 38 122.344 122.344 120.423 1.921 18714 3844 1 10 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.009 -0.041 18714 3845 1 10 . 1 1 38 38 ARG C C 38 179.165 179.165 178.600 0.565 18714 3846 1 10 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.097 0.824 18714 3847 1 10 . 1 1 38 38 ARG CB C 38 30.663 30.663 29.768 0.895 18714 3848 1 10 . 1 1 38 38 ARG H H 38 7.664 7.664 7.722 -0.058 18714 3849 1 10 . 1 1 39 39 LEU N N 39 117.479 117.479 119.152 -1.673 18714 3850 1 10 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.918 0.108 18714 3851 1 10 . 1 1 39 39 LEU C C 39 181.316 181.316 179.052 2.264 18714 3852 1 10 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.857 -0.277 18714 3853 1 10 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.701 1.683 18714 3854 1 10 . 1 1 39 39 LEU H H 39 8.629 8.629 7.823 0.806 18714 3855 1 10 . 1 1 40 40 MET N N 40 126.468 126.468 118.212 8.256 18714 3856 1 10 . 1 1 40 40 MET HA H 40 3.957 3.957 4.164 -0.207 18714 3857 1 10 . 1 1 40 40 MET C C 40 178.466 178.466 179.063 -0.597 18714 3858 1 10 . 1 1 40 40 MET CA C 40 60.109 60.109 59.328 0.781 18714 3859 1 10 . 1 1 40 40 MET CB C 40 34.065 34.065 32.563 1.502 18714 3860 1 10 . 1 1 40 40 MET H H 40 9.112 9.112 8.210 0.902 18714 3861 1 10 . 1 1 41 41 LYS N N 41 119.282 119.282 118.853 0.429 18714 3862 1 10 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.108 -0.068 18714 3863 1 10 . 1 1 41 41 LYS C C 41 178.805 178.805 178.557 0.248 18714 3864 1 10 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.750 0.465 18714 3865 1 10 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.428 -0.301 18714 3866 1 10 . 1 1 41 41 LYS H H 41 7.721 7.721 7.529 0.192 18714 3867 1 10 . 1 1 42 42 ILE N N 42 114.582 114.582 119.967 -5.385 18714 3868 1 10 . 1 1 42 42 ILE HA H 42 4.150 4.150 3.959 0.191 18714 3869 1 10 . 1 1 42 42 ILE C C 42 177.365 177.365 178.064 -0.699 18714 3870 1 10 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.668 -0.951 18714 3871 1 10 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.609 1.221 18714 3872 1 10 . 1 1 42 42 ILE H H 42 7.804 7.804 7.759 0.045 18714 3873 1 10 . 1 1 43 43 THR N N 43 107.511 107.511 111.178 -3.667 18714 3874 1 10 . 1 1 43 43 THR HA H 43 4.536 4.536 4.326 0.210 18714 3875 1 10 . 1 1 43 43 THR C C 43 176.120 176.120 175.944 0.176 18714 3876 1 10 . 1 1 43 43 THR CA C 43 63.136 63.136 62.936 0.200 18714 3877 1 10 . 1 1 43 43 THR CB C 43 72.060 72.060 70.315 1.745 18714 3878 1 10 . 1 1 43 43 THR H H 43 8.313 8.313 8.235 0.078 18714 3879 1 10 . 1 1 44 44 GLY N N 44 111.235 111.235 109.665 1.570 18714 3880 1 10 . 1 1 44 44 GLY C C 44 174.134 174.134 174.527 -0.393 18714 3881 1 10 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.701 1.104 18714 3882 1 10 . 1 1 44 44 GLY H H 44 8.055 8.055 7.730 0.325 18714 3883 1 10 . 1 1 45 45 LEU N N 45 120.586 120.586 122.297 -1.711 18714 3884 1 10 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.664 -0.159 18714 3885 1 10 . 1 1 45 45 LEU C C 45 176.634 176.634 176.907 -0.273 18714 3886 1 10 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.226 -0.469 18714 3887 1 10 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.611 0.695 18714 3888 1 10 . 1 1 45 45 LEU H H 45 7.708 7.708 7.916 -0.208 18714 3889 1 10 . 1 1 46 46 THR N N 46 109.308 109.308 109.583 -0.275 18714 3890 1 10 . 1 1 46 46 THR HA H 46 4.325 4.325 4.507 -0.182 18714 3891 1 10 . 1 1 46 46 THR C C 46 175.215 175.215 175.540 -0.325 18714 3892 1 10 . 1 1 46 46 THR CA C 46 60.914 60.914 60.658 0.256 18714 3893 1 10 . 1 1 46 46 THR CB C 46 71.237 71.237 70.542 0.695 18714 3894 1 10 . 1 1 46 46 THR H H 46 8.570 8.570 8.082 0.488 18714 3895 1 10 . 1 1 47 47 LYS N N 47 121.342 121.342 121.277 0.065 18714 3896 1 10 . 1 1 47 47 LYS HA H 47 3.685 3.685 4.054 -0.369 18714 3897 1 10 . 1 1 47 47 LYS C C 47 178.805 178.805 178.932 -0.127 18714 3898 1 10 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.666 1.126 18714 3899 1 10 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.101 0.233 18714 3900 1 10 . 1 1 47 47 LYS H H 47 8.797 8.797 8.937 -0.140 18714 3901 1 10 . 1 1 48 48 GLY N N 48 104.143 104.143 108.125 -3.982 18714 3902 1 10 . 1 1 48 48 GLY C C 48 177.149 177.149 176.544 0.605 18714 3903 1 10 . 1 1 48 48 GLY CA C 48 46.889 46.889 47.038 -0.149 18714 3904 1 10 . 1 1 48 48 GLY H H 48 8.715 8.715 8.452 0.263 18714 3905 1 10 . 1 1 49 49 GLU N N 49 121.943 121.943 122.043 -0.100 18714 3906 1 10 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.067 0.023 18714 3907 1 10 . 1 1 49 49 GLU C C 49 179.886 179.886 179.440 0.446 18714 3908 1 10 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.330 -0.147 18714 3909 1 10 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.450 1.240 18714 3910 1 10 . 1 1 49 49 GLU H H 49 7.851 7.851 7.807 0.044 18714 3911 1 10 . 1 1 50 50 ILE N N 50 121.748 121.748 120.168 1.580 18714 3912 1 10 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.910 -0.150 18714 3913 1 10 . 1 1 50 50 ILE C C 50 177.735 177.735 178.239 -0.504 18714 3914 1 10 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.194 0.924 18714 3915 1 10 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.914 0.198 18714 3916 1 10 . 1 1 50 50 ILE H H 50 8.224 8.224 7.834 0.390 18714 3917 1 10 . 1 1 51 51 LYS N N 51 119.119 119.119 120.781 -1.662 18714 3918 1 10 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.165 -0.104 18714 3919 1 10 . 1 1 51 51 LYS C C 51 179.526 179.526 179.628 -0.102 18714 3920 1 10 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.257 1.863 18714 3921 1 10 . 1 1 51 51 LYS CB C 51 31.896 31.896 31.948 -0.052 18714 3922 1 10 . 1 1 51 51 LYS H H 51 8.842 8.842 8.286 0.556 18714 3923 1 10 . 1 1 52 52 LYS N N 52 120.252 120.252 118.896 1.356 18714 3924 1 10 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.165 0.029 18714 3925 1 10 . 1 1 52 52 LYS C C 52 176.830 176.830 178.885 -2.055 18714 3926 1 10 . 1 1 52 52 LYS CA C 52 58.750 58.750 58.589 0.161 18714 3927 1 10 . 1 1 52 52 LYS CB C 52 32.387 32.387 31.965 0.422 18714 3928 1 10 . 1 1 52 52 LYS H H 52 8.208 8.208 7.985 0.223 18714 3929 1 10 . 1 1 53 53 TRP N N 53 120.333 120.333 122.889 -2.556 18714 3930 1 10 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.287 -0.098 18714 3931 1 10 . 1 1 53 53 TRP C C 53 180.266 180.266 178.066 2.200 18714 3932 1 10 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.718 1.001 18714 3933 1 10 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.322 -1.168 18714 3934 1 10 . 1 1 53 53 TRP H H 53 8.132 8.132 7.785 0.347 18714 3935 1 10 . 1 1 54 54 PHE N N 54 120.742 120.742 116.928 3.814 18714 3936 1 10 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.872 -0.158 18714 3937 1 10 . 1 1 54 54 PHE C C 54 177.488 177.488 178.094 -0.606 18714 3938 1 10 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.258 1.635 18714 3939 1 10 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.943 0.459 18714 3940 1 10 . 1 1 54 54 PHE H H 54 8.903 8.903 8.585 0.318 18714 3941 1 10 . 1 1 55 55 SER N N 55 113.136 113.136 115.679 -2.543 18714 3942 1 10 . 1 1 55 55 SER HA H 55 4.063 4.063 4.118 -0.055 18714 3943 1 10 . 1 1 55 55 SER C C 55 177.571 177.571 176.911 0.660 18714 3944 1 10 . 1 1 55 55 SER CA C 55 62.419 62.419 62.088 0.331 18714 3945 1 10 . 1 1 55 55 SER CB C 55 62.673 62.673 62.863 -0.190 18714 3946 1 10 . 1 1 55 55 SER H H 55 8.136 8.136 8.085 0.051 18714 3947 1 10 . 1 1 56 56 ASP N N 56 122.871 122.871 121.160 1.711 18714 3948 1 10 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.529 -0.231 18714 3949 1 10 . 1 1 56 56 ASP C C 56 178.085 178.085 178.230 -0.145 18714 3950 1 10 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.074 -0.111 18714 3951 1 10 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.822 -1.101 18714 3952 1 10 . 1 1 56 56 ASP H H 56 9.091 9.091 7.888 1.203 18714 3953 1 10 . 1 1 57 57 THR N N 57 118.957 118.957 118.006 0.951 18714 3954 1 10 . 1 1 57 57 THR HA H 57 3.335 3.335 3.877 -0.542 18714 3955 1 10 . 1 1 57 57 THR C C 57 175.925 175.925 176.044 -0.119 18714 3956 1 10 . 1 1 57 57 THR CA C 57 67.064 67.064 66.056 1.008 18714 3957 1 10 . 1 1 57 57 THR CB C 57 67.387 67.387 67.845 -0.458 18714 3958 1 10 . 1 1 57 57 THR H H 57 7.926 7.926 7.855 0.071 18714 3959 1 10 . 1 1 58 58 ARG N N 58 120.980 120.980 121.263 -0.283 18714 3960 1 10 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.179 0.022 18714 3961 1 10 . 1 1 58 58 ARG C C 58 179.536 179.536 178.403 1.133 18714 3962 1 10 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.334 0.642 18714 3963 1 10 . 1 1 58 58 ARG CB C 58 31.394 31.394 30.190 1.204 18714 3964 1 10 . 1 1 58 58 ARG H H 58 8.139 8.139 7.719 0.420 18714 3965 1 10 . 1 1 59 59 TYR N N 59 119.449 119.449 119.817 -0.368 18714 3966 1 10 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.185 -0.041 18714 3967 1 10 . 1 1 59 59 TYR C C 59 178.075 178.075 177.019 1.056 18714 3968 1 10 . 1 1 59 59 TYR CA C 59 61.320 61.320 60.998 0.322 18714 3969 1 10 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.625 -0.623 18714 3970 1 10 . 1 1 59 59 TYR H H 59 8.004 8.004 7.555 0.449 18714 3971 1 10 . 1 1 60 60 ASN N N 60 118.169 118.169 116.332 1.837 18714 3972 1 10 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.158 0.196 18714 3973 1 10 . 1 1 60 60 ASN C C 60 177.005 177.005 177.289 -0.284 18714 3974 1 10 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.753 -0.593 18714 3975 1 10 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.644 -0.352 18714 3976 1 10 . 1 1 60 60 ASN H H 60 8.354 8.354 8.059 0.295 18714 3977 1 10 . 1 1 61 61 GLN N N 61 118.671 118.671 117.494 1.177 18714 3978 1 10 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.152 -0.011 18714 3979 1 10 . 1 1 61 61 GLN C C 61 177.046 177.046 177.608 -0.562 18714 3980 1 10 . 1 1 61 61 GLN CA C 61 57.217 57.217 57.616 -0.399 18714 3981 1 10 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.731 -0.265 18714 3982 1 10 . 1 1 61 61 GLN H H 61 7.971 7.971 7.847 0.124 18714 3983 1 10 . 1 1 62 62 ARG N N 62 119.140 119.140 116.807 2.333 18714 3984 1 10 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.391 -0.202 18714 3985 1 10 . 1 1 62 62 ARG C C 62 176.655 176.655 176.789 -0.134 18714 3986 1 10 . 1 1 62 62 ARG CA C 62 57.462 57.462 55.977 1.485 18714 3987 1 10 . 1 1 62 62 ARG CB C 62 29.896 29.896 31.027 -1.131 18714 3988 1 10 . 1 1 62 62 ARG H H 62 7.690 7.690 7.454 0.236 18714 3989 1 10 . 1 1 63 63 ASN N N 63 117.472 117.472 121.250 -3.778 18714 3990 1 10 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.615 0.119 18714 3991 1 10 . 1 1 63 63 ASN C C 63 175.194 175.194 174.151 1.043 18714 3992 1 10 . 1 1 63 63 ASN CA C 63 53.141 53.141 51.981 1.160 18714 3993 1 10 . 1 1 63 63 ASN CB C 63 38.875 38.875 38.195 0.680 18714 3994 1 10 . 1 1 63 63 ASN H H 63 8.003 8.003 7.935 0.068 18714 3995 1 10 . 1 1 64 64 SER N N 64 115.768 115.768 121.519 -5.751 18714 3996 1 10 . 1 1 64 64 SER HA H 64 4.402 4.402 4.320 0.082 18714 3997 1 10 . 1 1 64 64 SER C C 64 174.721 174.721 174.848 -0.127 18714 3998 1 10 . 1 1 64 64 SER CA C 64 58.758 58.758 58.605 0.153 18714 3999 1 10 . 1 1 64 64 SER CB C 64 63.620 63.620 62.933 0.687 18714 4000 1 10 . 1 1 64 64 SER H H 64 7.942 7.942 8.574 -0.632 18714 4001 1 10 . 1 1 65 65 LYS N N 65 122.579 122.579 124.921 -2.342 18714 4002 1 10 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.071 0.239 18714 4003 1 10 . 1 1 65 65 LYS C C 65 176.665 176.665 176.019 0.646 18714 4004 1 10 . 1 1 65 65 LYS CA C 65 56.366 56.366 57.474 -1.108 18714 4005 1 10 . 1 1 65 65 LYS CB C 65 33.054 33.054 32.684 0.370 18714 4006 1 10 . 1 1 65 65 LYS H H 65 8.319 8.319 7.800 0.519 18714 4007 1 10 . 1 1 66 66 SER N N 66 115.560 115.560 115.148 0.412 18714 4008 1 10 . 1 1 66 66 SER HA H 66 4.425 4.425 4.334 0.091 18714 4009 1 10 . 1 1 66 66 SER CA C 66 58.577 58.577 59.298 -0.721 18714 4010 1 10 . 1 1 66 66 SER CB C 66 63.670 63.670 62.656 1.014 18714 4011 1 10 . 1 1 66 66 SER H H 66 8.184 8.184 8.074 0.110 18714 4012 1 10 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.473 0.230 18714 4013 1 10 . 1 1 67 67 ASN C C 67 175.196 175.196 175.447 -0.251 18714 4014 1 10 . 1 1 67 67 ASN CA C 67 53.417 53.417 53.974 -0.557 18714 4015 1 10 . 1 1 67 67 ASN CB C 67 38.593 38.593 38.146 0.447 18714 4016 1 10 . 1 1 68 68 GLN N N 68 120.106 120.106 121.130 -1.024 18714 4017 1 10 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.198 0.105 18714 4018 1 10 . 1 1 68 68 GLN C C 68 175.708 175.708 175.457 0.251 18714 4019 1 10 . 1 1 68 68 GLN CA C 68 56.172 56.172 57.763 -1.591 18714 4020 1 10 . 1 1 68 68 GLN CB C 68 29.172 29.172 29.798 -0.626 18714 4021 1 10 . 1 1 68 68 GLN H H 68 8.283 8.283 8.716 -0.433 18714 4022 1 10 . 1 1 69 69 CYS N N 69 119.599 119.599 115.163 4.436 18714 4023 1 10 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.633 -0.229 18714 4024 1 10 . 1 1 69 69 CYS C C 69 174.412 174.412 174.758 -0.346 18714 4025 1 10 . 1 1 69 69 CYS CA C 69 58.693 58.693 57.904 0.790 18714 4026 1 10 . 1 1 69 69 CYS CB C 69 27.610 27.610 29.651 -2.041 18714 4027 1 10 . 1 1 69 69 CYS H H 69 8.313 8.313 8.120 0.193 18714 4028 1 10 . 1 1 70 70 LEU N N 70 123.832 123.832 122.995 0.837 18714 4029 1 10 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.324 -0.057 18714 4030 1 10 . 1 1 70 70 LEU C C 70 176.645 176.645 177.535 -0.890 18714 4031 1 10 . 1 1 70 70 LEU CA C 70 55.283 55.283 56.429 -1.146 18714 4032 1 10 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.045 0.214 18714 4033 1 10 . 1 1 70 70 LEU H H 70 8.201 8.201 8.480 -0.279 18714 4034 1 10 . 1 1 71 71 HIS N N 71 119.423 119.423 116.880 2.543 18714 4035 1 10 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.365 0.283 18714 4036 1 10 . 1 1 71 71 HIS C C 71 174.494 174.494 175.264 -0.770 18714 4037 1 10 . 1 1 71 71 HIS CA C 71 55.424 55.424 56.020 -0.596 18714 4038 1 10 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.639 0.048 18714 4039 1 10 . 1 1 71 71 HIS H H 71 8.308 8.308 8.150 0.158 18714 4040 1 10 . 1 1 72 72 LEU N N 72 122.990 122.990 121.783 1.207 18714 4041 1 10 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.291 0.042 18714 4042 1 10 . 1 1 72 72 LEU C C 72 176.645 176.645 177.524 -0.879 18714 4043 1 10 . 1 1 72 72 LEU CA C 72 54.981 54.981 55.977 -0.996 18714 4044 1 10 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.049 0.132 18714 4045 1 10 . 1 1 72 72 LEU H H 72 8.146 8.146 7.834 0.312 18714 4046 1 10 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.309 0.424 18714 4047 1 10 . 1 1 73 73 ASN C C 73 173.774 173.774 174.795 -1.021 18714 4048 1 10 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.913 -0.879 18714 4049 1 10 . 1 1 73 73 ASN CB C 73 38.928 38.928 37.961 0.967 18714 4050 1 10 . 1 1 73 73 ASN H H 73 8.428 8.428 8.848 -0.420 18714 4051 1 11 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.416 -0.032 18714 4052 1 11 . 1 1 4 4 PRO C C 4 176.388 176.388 175.828 0.560 18714 4053 1 11 . 1 1 4 4 PRO CA C 4 63.097 63.097 63.008 0.089 18714 4054 1 11 . 1 1 4 4 PRO CB C 4 32.056 32.056 31.630 0.426 18714 4055 1 11 . 1 1 5 5 ASP N N 5 120.482 120.482 123.981 -3.499 18714 4056 1 11 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.563 -0.019 18714 4057 1 11 . 1 1 5 5 ASP C C 5 176.336 176.336 175.782 0.554 18714 4058 1 11 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.962 -0.639 18714 4059 1 11 . 1 1 5 5 ASP CB C 5 41.006 41.006 41.514 -0.508 18714 4060 1 11 . 1 1 5 5 ASP H H 5 8.415 8.415 8.581 -0.166 18714 4061 1 11 . 1 1 6 6 SER N N 6 115.481 115.481 120.132 -4.651 18714 4062 1 11 . 1 1 6 6 SER HA H 6 4.326 4.326 4.849 -0.523 18714 4063 1 11 . 1 1 6 6 SER C C 6 174.494 174.494 173.356 1.138 18714 4064 1 11 . 1 1 6 6 SER CA C 6 58.559 58.559 57.711 0.848 18714 4065 1 11 . 1 1 6 6 SER CB C 6 63.461 63.461 63.880 -0.420 18714 4066 1 11 . 1 1 6 6 SER H H 6 8.146 8.146 8.495 -0.349 18714 4067 1 11 . 1 1 7 7 PHE N N 7 121.475 121.475 124.961 -3.486 18714 4068 1 11 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.826 -0.267 18714 4069 1 11 . 1 1 7 7 PHE C C 7 176.285 176.285 174.006 2.279 18714 4070 1 11 . 1 1 7 7 PHE CA C 7 58.227 58.227 58.751 -0.524 18714 4071 1 11 . 1 1 7 7 PHE CB C 7 39.213 39.213 40.071 -0.858 18714 4072 1 11 . 1 1 7 7 PHE H H 7 8.236 8.236 8.336 -0.100 18714 4073 1 11 . 1 1 8 8 GLY N N 8 109.715 109.715 113.808 -4.093 18714 4074 1 11 . 1 1 8 8 GLY C C 8 174.124 174.124 171.961 2.163 18714 4075 1 11 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.787 0.579 18714 4076 1 11 . 1 1 8 8 GLY H H 8 8.256 8.256 7.586 0.670 18714 4077 1 11 . 1 1 9 9 ILE N N 9 120.361 120.361 121.024 -0.663 18714 4078 1 11 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.354 -0.242 18714 4079 1 11 . 1 1 9 9 ILE C C 9 176.429 176.429 175.790 0.639 18714 4080 1 11 . 1 1 9 9 ILE CA C 9 61.453 61.453 60.862 0.591 18714 4081 1 11 . 1 1 9 9 ILE CB C 9 38.386 38.386 39.525 -1.139 18714 4082 1 11 . 1 1 9 9 ILE H H 9 7.975 7.975 8.082 -0.107 18714 4083 1 11 . 1 1 10 10 ARG N N 10 124.698 124.698 128.321 -3.623 18714 4084 1 11 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.367 -0.041 18714 4085 1 11 . 1 1 10 10 ARG C C 10 175.925 175.925 175.265 0.660 18714 4086 1 11 . 1 1 10 10 ARG CA C 10 55.824 55.824 56.436 -0.612 18714 4087 1 11 . 1 1 10 10 ARG CB C 10 30.482 30.482 31.067 -0.585 18714 4088 1 11 . 1 1 10 10 ARG H H 10 8.407 8.407 8.786 -0.379 18714 4089 1 11 . 1 1 11 11 ALA N N 11 124.966 124.966 122.794 2.172 18714 4090 1 11 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.473 -0.200 18714 4091 1 11 . 1 1 11 11 ALA C C 11 177.715 177.715 175.948 1.767 18714 4092 1 11 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.055 0.470 18714 4093 1 11 . 1 1 11 11 ALA CB C 11 19.094 19.094 19.346 -0.252 18714 4094 1 11 . 1 1 11 11 ALA H H 11 8.257 8.257 8.111 0.146 18714 4095 1 11 . 1 1 12 12 LYS N N 12 120.850 120.850 120.898 -0.048 18714 4096 1 11 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.441 -0.116 18714 4097 1 11 . 1 1 12 12 LYS C C 12 176.655 176.655 175.812 0.843 18714 4098 1 11 . 1 1 12 12 LYS CA C 12 56.114 56.114 55.399 0.715 18714 4099 1 11 . 1 1 12 12 LYS CB C 12 32.985 32.985 34.244 -1.259 18714 4100 1 11 . 1 1 12 12 LYS H H 12 8.217 8.217 8.000 0.217 18714 4101 1 11 . 1 1 13 13 LYS N N 13 122.258 122.258 126.863 -4.605 18714 4102 1 11 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.224 0.384 18714 4103 1 11 . 1 1 13 13 LYS C C 13 177.005 177.005 176.999 0.006 18714 4104 1 11 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.162 -0.287 18714 4105 1 11 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.676 2.055 18714 4106 1 11 . 1 1 13 13 LYS H H 13 8.317 8.317 8.566 -0.249 18714 4107 1 11 . 1 1 14 14 THR N N 14 113.409 113.409 118.118 -4.709 18714 4108 1 11 . 1 1 14 14 THR HA H 14 4.387 4.387 4.401 -0.014 18714 4109 1 11 . 1 1 14 14 THR C C 14 175.215 175.215 175.725 -0.510 18714 4110 1 11 . 1 1 14 14 THR CA C 14 61.057 61.057 61.793 -0.736 18714 4111 1 11 . 1 1 14 14 THR CB C 14 70.754 70.754 70.650 0.103 18714 4112 1 11 . 1 1 14 14 THR H H 14 8.747 8.747 8.305 0.442 18714 4113 1 11 . 1 1 15 15 LYS N N 15 120.711 120.711 122.217 -1.506 18714 4114 1 11 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.922 0.041 18714 4115 1 11 . 1 1 15 15 LYS C C 15 178.898 178.898 178.999 -0.101 18714 4116 1 11 . 1 1 15 15 LYS CA C 15 59.587 59.587 60.674 -1.087 18714 4117 1 11 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.267 -0.251 18714 4118 1 11 . 1 1 15 15 LYS H H 15 8.804 8.804 8.703 0.101 18714 4119 1 11 . 1 1 16 16 GLU N N 16 119.447 119.447 117.305 2.142 18714 4120 1 11 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.051 -0.008 18714 4121 1 11 . 1 1 16 16 GLU C C 16 179.536 179.536 178.813 0.723 18714 4122 1 11 . 1 1 16 16 GLU CA C 16 60.111 60.111 58.949 1.162 18714 4123 1 11 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.321 -0.624 18714 4124 1 11 . 1 1 16 16 GLU H H 16 8.715 8.715 8.418 0.297 18714 4125 1 11 . 1 1 17 17 GLN N N 17 119.610 119.610 119.805 -0.195 18714 4126 1 11 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.952 -0.091 18714 4127 1 11 . 1 1 17 17 GLN C C 17 177.725 177.725 178.202 -0.477 18714 4128 1 11 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.722 0.163 18714 4129 1 11 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.925 -0.224 18714 4130 1 11 . 1 1 17 17 GLN H H 17 7.811 7.811 7.454 0.357 18714 4131 1 11 . 1 1 18 18 LEU N N 18 116.893 116.893 119.829 -2.936 18714 4132 1 11 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.568 0.016 18714 4133 1 11 . 1 1 18 18 LEU C C 18 178.250 178.250 177.966 0.284 18714 4134 1 11 . 1 1 18 18 LEU CA C 18 57.228 57.228 56.918 0.310 18714 4135 1 11 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.839 -0.176 18714 4136 1 11 . 1 1 18 18 LEU H H 18 8.190 8.190 8.235 -0.045 18714 4137 1 11 . 1 1 19 19 ALA N N 19 120.561 120.561 121.593 -1.032 18714 4138 1 11 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.897 0.090 18714 4139 1 11 . 1 1 19 19 ALA C C 19 180.071 180.071 179.611 0.460 18714 4140 1 11 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.346 -0.215 18714 4141 1 11 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.775 0.146 18714 4142 1 11 . 1 1 19 19 ALA H H 19 8.013 8.013 7.752 0.261 18714 4143 1 11 . 1 1 20 20 GLU N N 20 115.648 115.648 118.170 -2.522 18714 4144 1 11 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.024 0.013 18714 4145 1 11 . 1 1 20 20 GLU C C 20 179.526 179.526 179.183 0.343 18714 4146 1 11 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.940 -0.996 18714 4147 1 11 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.138 -0.278 18714 4148 1 11 . 1 1 20 20 GLU H H 20 7.165 7.165 7.613 -0.448 18714 4149 1 11 . 1 1 21 21 LEU N N 21 120.140 120.140 119.856 0.284 18714 4150 1 11 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.897 -0.339 18714 4151 1 11 . 1 1 21 21 LEU C C 21 177.344 177.344 178.999 -1.655 18714 4152 1 11 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.264 0.647 18714 4153 1 11 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.446 -2.614 18714 4154 1 11 . 1 1 21 21 LEU H H 21 7.428 7.428 7.213 0.215 18714 4155 1 11 . 1 1 22 22 LYS N N 22 117.352 117.352 120.016 -2.664 18714 4156 1 11 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.390 -0.414 18714 4157 1 11 . 1 1 22 22 LYS C C 22 178.805 178.805 179.442 -0.637 18714 4158 1 11 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.086 1.196 18714 4159 1 11 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.019 0.155 18714 4160 1 11 . 1 1 22 22 LYS H H 22 8.021 8.021 7.710 0.311 18714 4161 1 11 . 1 1 23 23 VAL N N 23 117.470 117.470 119.465 -1.995 18714 4162 1 11 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.797 -0.100 18714 4163 1 11 . 1 1 23 23 VAL C C 23 178.291 178.291 178.237 0.054 18714 4164 1 11 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.528 -0.106 18714 4165 1 11 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.881 0.829 18714 4166 1 11 . 1 1 23 23 VAL H H 23 7.618 7.618 8.025 -0.407 18714 4167 1 11 . 1 1 24 24 SER N N 24 113.371 113.371 115.596 -2.225 18714 4168 1 11 . 1 1 24 24 SER HA H 24 4.247 4.247 4.168 0.079 18714 4169 1 11 . 1 1 24 24 SER C C 24 177.015 177.015 176.355 0.660 18714 4170 1 11 . 1 1 24 24 SER CA C 24 61.550 61.550 61.634 -0.084 18714 4171 1 11 . 1 1 24 24 SER CB C 24 62.987 62.987 63.079 -0.092 18714 4172 1 11 . 1 1 24 24 SER H H 24 7.340 7.340 8.023 -0.683 18714 4173 1 11 . 1 1 25 25 TYR N N 25 120.532 120.532 122.890 -2.358 18714 4174 1 11 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.839 -0.587 18714 4175 1 11 . 1 1 25 25 TYR C C 25 176.470 176.470 177.089 -0.619 18714 4176 1 11 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.419 0.376 18714 4177 1 11 . 1 1 25 25 TYR CB C 25 38.611 38.611 39.012 -0.401 18714 4178 1 11 . 1 1 25 25 TYR H H 25 8.888 8.888 8.153 0.735 18714 4179 1 11 . 1 1 26 26 LEU N N 26 115.079 115.079 117.780 -2.701 18714 4180 1 11 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.995 0.040 18714 4181 1 11 . 1 1 26 26 LEU C C 26 179.021 179.021 178.749 0.272 18714 4182 1 11 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.995 -0.145 18714 4183 1 11 . 1 1 26 26 LEU CB C 26 41.983 41.983 42.062 -0.079 18714 4184 1 11 . 1 1 26 26 LEU H H 26 7.953 7.953 8.160 -0.207 18714 4185 1 11 . 1 1 27 27 LYS N N 27 119.058 119.058 117.492 1.566 18714 4186 1 11 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.227 -0.058 18714 4187 1 11 . 1 1 27 27 LYS C C 27 177.375 177.375 176.788 0.587 18714 4188 1 11 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.869 0.632 18714 4189 1 11 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.495 -0.862 18714 4190 1 11 . 1 1 27 27 LYS H H 27 7.503 7.503 7.782 -0.279 18714 4191 1 11 . 1 1 28 28 ASN N N 28 116.296 116.296 118.224 -1.928 18714 4192 1 11 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.859 -0.339 18714 4193 1 11 . 1 1 28 28 ASN C C 28 174.134 174.134 174.623 -0.489 18714 4194 1 11 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.279 1.426 18714 4195 1 11 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.684 -1.318 18714 4196 1 11 . 1 1 28 28 ASN H H 28 8.163 8.163 8.231 -0.068 18714 4197 1 11 . 1 1 29 29 GLN N N 29 123.819 123.819 120.499 3.320 18714 4198 1 11 . 1 1 29 29 GLN HA H 29 3.850 3.850 4.078 -0.228 18714 4199 1 11 . 1 1 29 29 GLN C C 29 173.785 173.785 174.387 -0.602 18714 4200 1 11 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.661 -0.059 18714 4201 1 11 . 1 1 29 29 GLN CB C 29 28.230 28.230 29.144 -0.914 18714 4202 1 11 . 1 1 29 29 GLN H H 29 8.560 8.560 8.630 -0.070 18714 4203 1 11 . 1 1 30 30 PHE N N 30 116.997 116.997 117.012 -0.015 18714 4204 1 11 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.804 -0.062 18714 4205 1 11 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.318 -0.848 18714 4206 1 11 . 1 1 30 30 PHE CB C 30 39.136 39.136 38.765 0.371 18714 4207 1 11 . 1 1 30 30 PHE H H 30 8.014 8.014 7.896 0.118 18714 4208 1 11 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.268 -0.289 18714 4209 1 11 . 1 1 31 31 PRO C C 31 177.285 177.285 175.972 1.313 18714 4210 1 11 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.150 0.114 18714 4211 1 11 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.177 -1.400 18714 4212 1 11 . 1 1 32 32 HIS N N 32 120.779 120.779 121.152 -0.373 18714 4213 1 11 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.507 0.068 18714 4214 1 11 . 1 1 32 32 HIS C C 32 176.601 176.601 176.521 0.080 18714 4215 1 11 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.398 -0.982 18714 4216 1 11 . 1 1 32 32 HIS CB C 32 31.396 31.396 31.678 -0.282 18714 4217 1 11 . 1 1 32 32 HIS H H 32 8.401 8.401 8.038 0.363 18714 4218 1 11 . 1 1 33 33 ASP N N 33 124.390 124.390 121.064 3.326 18714 4219 1 11 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.358 -0.082 18714 4220 1 11 . 1 1 33 33 ASP C C 33 178.064 178.064 178.261 -0.197 18714 4221 1 11 . 1 1 33 33 ASP CA C 33 58.486 58.486 57.813 0.673 18714 4222 1 11 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.546 -0.095 18714 4223 1 11 . 1 1 33 33 ASP H H 33 8.691 8.691 8.863 -0.172 18714 4224 1 11 . 1 1 34 34 SER N N 34 114.256 114.256 117.297 -3.041 18714 4225 1 11 . 1 1 34 34 SER HA H 34 4.109 4.109 4.173 -0.064 18714 4226 1 11 . 1 1 34 34 SER C C 34 176.645 176.645 176.502 0.143 18714 4227 1 11 . 1 1 34 34 SER CA C 34 60.282 60.282 61.172 -0.890 18714 4228 1 11 . 1 1 34 34 SER CB C 34 61.931 61.931 62.722 -0.791 18714 4229 1 11 . 1 1 34 34 SER H H 34 9.494 9.494 8.365 1.129 18714 4230 1 11 . 1 1 35 35 GLU N N 35 126.075 126.075 122.081 3.994 18714 4231 1 11 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.139 0.764 18714 4232 1 11 . 1 1 35 35 GLU C C 35 177.715 177.715 178.440 -0.725 18714 4233 1 11 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.165 -2.281 18714 4234 1 11 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.220 -0.699 18714 4235 1 11 . 1 1 35 35 GLU H H 35 7.493 7.493 8.401 -0.908 18714 4236 1 11 . 1 1 36 36 ILE N N 36 120.906 120.906 119.824 1.082 18714 4237 1 11 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.905 -0.302 18714 4238 1 11 . 1 1 36 36 ILE C C 36 177.725 177.725 178.252 -0.527 18714 4239 1 11 . 1 1 36 36 ILE CA C 36 64.945 64.945 63.921 1.024 18714 4240 1 11 . 1 1 36 36 ILE CB C 36 35.873 35.873 36.740 -0.867 18714 4241 1 11 . 1 1 36 36 ILE H H 36 7.697 7.697 7.525 0.172 18714 4242 1 11 . 1 1 37 37 ILE N N 37 119.451 119.451 119.961 -0.510 18714 4243 1 11 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.694 0.265 18714 4244 1 11 . 1 1 37 37 ILE C C 37 178.085 178.085 178.150 -0.065 18714 4245 1 11 . 1 1 37 37 ILE CA C 37 64.734 64.734 64.040 0.694 18714 4246 1 11 . 1 1 37 37 ILE CB C 37 37.781 37.781 36.345 1.436 18714 4247 1 11 . 1 1 37 37 ILE H H 37 8.229 8.229 7.726 0.503 18714 4248 1 11 . 1 1 38 38 ARG N N 38 122.344 122.344 120.302 2.042 18714 4249 1 11 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.059 -0.091 18714 4250 1 11 . 1 1 38 38 ARG C C 38 179.165 179.165 179.021 0.144 18714 4251 1 11 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.613 0.308 18714 4252 1 11 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.225 0.438 18714 4253 1 11 . 1 1 38 38 ARG H H 38 7.664 7.664 7.413 0.251 18714 4254 1 11 . 1 1 39 39 LEU N N 39 117.479 117.479 119.511 -2.032 18714 4255 1 11 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.975 0.051 18714 4256 1 11 . 1 1 39 39 LEU C C 39 181.316 181.316 179.073 2.243 18714 4257 1 11 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.718 -0.138 18714 4258 1 11 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.843 1.541 18714 4259 1 11 . 1 1 39 39 LEU H H 39 8.629 8.629 8.070 0.559 18714 4260 1 11 . 1 1 40 40 MET N N 40 126.468 126.468 117.287 9.181 18714 4261 1 11 . 1 1 40 40 MET HA H 40 3.957 3.957 4.260 -0.303 18714 4262 1 11 . 1 1 40 40 MET C C 40 178.466 178.466 178.723 -0.257 18714 4263 1 11 . 1 1 40 40 MET CA C 40 60.109 60.109 59.083 1.026 18714 4264 1 11 . 1 1 40 40 MET CB C 40 34.065 34.065 32.508 1.557 18714 4265 1 11 . 1 1 40 40 MET H H 40 9.112 9.112 8.281 0.831 18714 4266 1 11 . 1 1 41 41 LYS N N 41 119.282 119.282 119.116 0.166 18714 4267 1 11 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.127 -0.087 18714 4268 1 11 . 1 1 41 41 LYS C C 41 178.805 178.805 178.248 0.557 18714 4269 1 11 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.517 0.698 18714 4270 1 11 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.018 0.109 18714 4271 1 11 . 1 1 41 41 LYS H H 41 7.721 7.721 7.543 0.178 18714 4272 1 11 . 1 1 42 42 ILE N N 42 114.582 114.582 119.226 -4.644 18714 4273 1 11 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.049 0.101 18714 4274 1 11 . 1 1 42 42 ILE C C 42 177.365 177.365 178.137 -0.772 18714 4275 1 11 . 1 1 42 42 ILE CA C 42 62.717 62.717 62.985 -0.268 18714 4276 1 11 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.622 1.208 18714 4277 1 11 . 1 1 42 42 ILE H H 42 7.804 7.804 7.644 0.160 18714 4278 1 11 . 1 1 43 43 THR N N 43 107.511 107.511 111.744 -4.233 18714 4279 1 11 . 1 1 43 43 THR HA H 43 4.536 4.536 4.203 0.333 18714 4280 1 11 . 1 1 43 43 THR C C 43 176.120 176.120 176.094 0.026 18714 4281 1 11 . 1 1 43 43 THR CA C 43 63.136 63.136 63.704 -0.568 18714 4282 1 11 . 1 1 43 43 THR CB C 43 72.060 72.060 69.836 2.224 18714 4283 1 11 . 1 1 43 43 THR H H 43 8.313 8.313 8.247 0.066 18714 4284 1 11 . 1 1 44 44 GLY N N 44 111.235 111.235 109.418 1.817 18714 4285 1 11 . 1 1 44 44 GLY C C 44 174.134 174.134 174.555 -0.421 18714 4286 1 11 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.729 1.076 18714 4287 1 11 . 1 1 44 44 GLY H H 44 8.055 8.055 7.762 0.293 18714 4288 1 11 . 1 1 45 45 LEU N N 45 120.586 120.586 121.367 -0.781 18714 4289 1 11 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.707 -0.202 18714 4290 1 11 . 1 1 45 45 LEU C C 45 176.634 176.634 176.621 0.013 18714 4291 1 11 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.855 -0.098 18714 4292 1 11 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.703 0.603 18714 4293 1 11 . 1 1 45 45 LEU H H 45 7.708 7.708 7.841 -0.133 18714 4294 1 11 . 1 1 46 46 THR N N 46 109.308 109.308 106.954 2.354 18714 4295 1 11 . 1 1 46 46 THR HA H 46 4.325 4.325 4.510 -0.185 18714 4296 1 11 . 1 1 46 46 THR C C 46 175.215 175.215 175.571 -0.356 18714 4297 1 11 . 1 1 46 46 THR CA C 46 60.914 60.914 60.584 0.330 18714 4298 1 11 . 1 1 46 46 THR CB C 46 71.237 71.237 70.695 0.542 18714 4299 1 11 . 1 1 46 46 THR H H 46 8.570 8.570 8.018 0.552 18714 4300 1 11 . 1 1 47 47 LYS N N 47 121.342 121.342 123.272 -1.930 18714 4301 1 11 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.982 -0.297 18714 4302 1 11 . 1 1 47 47 LYS C C 47 178.805 178.805 178.497 0.308 18714 4303 1 11 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.537 1.255 18714 4304 1 11 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.046 0.288 18714 4305 1 11 . 1 1 47 47 LYS H H 47 8.797 8.797 8.603 0.194 18714 4306 1 11 . 1 1 48 48 GLY N N 48 104.143 104.143 106.896 -2.753 18714 4307 1 11 . 1 1 48 48 GLY C C 48 177.149 177.149 176.401 0.748 18714 4308 1 11 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.891 -0.002 18714 4309 1 11 . 1 1 48 48 GLY H H 48 8.715 8.715 8.323 0.392 18714 4310 1 11 . 1 1 49 49 GLU N N 49 121.943 121.943 122.120 -0.177 18714 4311 1 11 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.043 0.047 18714 4312 1 11 . 1 1 49 49 GLU C C 49 179.886 179.886 179.321 0.565 18714 4313 1 11 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.454 -0.271 18714 4314 1 11 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.484 1.206 18714 4315 1 11 . 1 1 49 49 GLU H H 49 7.851 7.851 7.844 0.007 18714 4316 1 11 . 1 1 50 50 ILE N N 50 121.748 121.748 120.113 1.635 18714 4317 1 11 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.724 0.036 18714 4318 1 11 . 1 1 50 50 ILE C C 50 177.735 177.735 178.152 -0.417 18714 4319 1 11 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.271 0.847 18714 4320 1 11 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.851 0.261 18714 4321 1 11 . 1 1 50 50 ILE H H 50 8.224 8.224 8.100 0.124 18714 4322 1 11 . 1 1 51 51 LYS N N 51 119.119 119.119 119.132 -0.013 18714 4323 1 11 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.226 -0.165 18714 4324 1 11 . 1 1 51 51 LYS C C 51 179.526 179.526 179.318 0.208 18714 4325 1 11 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.171 1.949 18714 4326 1 11 . 1 1 51 51 LYS CB C 51 31.896 31.896 31.882 0.014 18714 4327 1 11 . 1 1 51 51 LYS H H 51 8.842 8.842 7.734 1.108 18714 4328 1 11 . 1 1 52 52 LYS N N 52 120.252 120.252 120.151 0.101 18714 4329 1 11 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.104 0.090 18714 4330 1 11 . 1 1 52 52 LYS C C 52 176.830 176.830 178.630 -1.800 18714 4331 1 11 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.461 -0.711 18714 4332 1 11 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.303 0.084 18714 4333 1 11 . 1 1 52 52 LYS H H 52 8.208 8.208 7.963 0.245 18714 4334 1 11 . 1 1 53 53 TRP N N 53 120.333 120.333 122.166 -1.833 18714 4335 1 11 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.426 -0.237 18714 4336 1 11 . 1 1 53 53 TRP C C 53 180.266 180.266 178.356 1.910 18714 4337 1 11 . 1 1 53 53 TRP CA C 53 62.719 62.719 60.847 1.872 18714 4338 1 11 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.228 -1.074 18714 4339 1 11 . 1 1 53 53 TRP H H 53 8.132 8.132 7.874 0.258 18714 4340 1 11 . 1 1 54 54 PHE N N 54 120.742 120.742 116.835 3.907 18714 4341 1 11 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.946 -0.232 18714 4342 1 11 . 1 1 54 54 PHE C C 54 177.488 177.488 177.974 -0.486 18714 4343 1 11 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.059 1.834 18714 4344 1 11 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.185 1.217 18714 4345 1 11 . 1 1 54 54 PHE H H 54 8.903 8.903 7.947 0.956 18714 4346 1 11 . 1 1 55 55 SER N N 55 113.136 113.136 115.915 -2.779 18714 4347 1 11 . 1 1 55 55 SER HA H 55 4.063 4.063 4.051 0.012 18714 4348 1 11 . 1 1 55 55 SER C C 55 177.571 177.571 176.267 1.304 18714 4349 1 11 . 1 1 55 55 SER CA C 55 62.419 62.419 62.086 0.333 18714 4350 1 11 . 1 1 55 55 SER CB C 55 62.673 62.673 62.890 -0.217 18714 4351 1 11 . 1 1 55 55 SER H H 55 8.136 8.136 7.782 0.354 18714 4352 1 11 . 1 1 56 56 ASP N N 56 122.871 122.871 122.085 0.786 18714 4353 1 11 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.372 -0.074 18714 4354 1 11 . 1 1 56 56 ASP C C 56 178.085 178.085 178.333 -0.248 18714 4355 1 11 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.349 -0.385 18714 4356 1 11 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.407 -0.686 18714 4357 1 11 . 1 1 56 56 ASP H H 56 9.091 9.091 7.782 1.309 18714 4358 1 11 . 1 1 57 57 THR N N 57 118.957 118.957 116.709 2.248 18714 4359 1 11 . 1 1 57 57 THR HA H 57 3.335 3.335 3.761 -0.426 18714 4360 1 11 . 1 1 57 57 THR C C 57 175.925 175.925 176.175 -0.250 18714 4361 1 11 . 1 1 57 57 THR CA C 57 67.064 67.064 65.720 1.344 18714 4362 1 11 . 1 1 57 57 THR CB C 57 67.387 67.387 67.764 -0.377 18714 4363 1 11 . 1 1 57 57 THR H H 57 7.926 7.926 7.771 0.155 18714 4364 1 11 . 1 1 58 58 ARG N N 58 120.980 120.980 122.576 -1.596 18714 4365 1 11 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.228 -0.027 18714 4366 1 11 . 1 1 58 58 ARG C C 58 179.536 179.536 178.555 0.981 18714 4367 1 11 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.590 0.386 18714 4368 1 11 . 1 1 58 58 ARG CB C 58 31.394 31.394 30.217 1.177 18714 4369 1 11 . 1 1 58 58 ARG H H 58 8.139 8.139 7.615 0.524 18714 4370 1 11 . 1 1 59 59 TYR N N 59 119.449 119.449 120.886 -1.437 18714 4371 1 11 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.091 0.053 18714 4372 1 11 . 1 1 59 59 TYR C C 59 178.075 178.075 177.197 0.878 18714 4373 1 11 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.529 -0.209 18714 4374 1 11 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.425 -0.423 18714 4375 1 11 . 1 1 59 59 TYR H H 59 8.004 8.004 8.036 -0.032 18714 4376 1 11 . 1 1 60 60 ASN N N 60 118.169 118.169 116.502 1.667 18714 4377 1 11 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.202 0.152 18714 4378 1 11 . 1 1 60 60 ASN C C 60 177.005 177.005 177.313 -0.308 18714 4379 1 11 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.584 -0.424 18714 4380 1 11 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.186 0.106 18714 4381 1 11 . 1 1 60 60 ASN H H 60 8.354 8.354 8.025 0.329 18714 4382 1 11 . 1 1 61 61 GLN N N 61 118.671 118.671 118.845 -0.174 18714 4383 1 11 . 1 1 61 61 GLN HA H 61 4.141 4.141 3.974 0.167 18714 4384 1 11 . 1 1 61 61 GLN C C 61 177.046 177.046 177.862 -0.816 18714 4385 1 11 . 1 1 61 61 GLN CA C 61 57.217 57.217 58.423 -1.206 18714 4386 1 11 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.643 -0.177 18714 4387 1 11 . 1 1 61 61 GLN H H 61 7.971 7.971 7.960 0.011 18714 4388 1 11 . 1 1 62 62 ARG N N 62 119.140 119.140 118.413 0.727 18714 4389 1 11 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.053 0.136 18714 4390 1 11 . 1 1 62 62 ARG C C 62 176.655 176.655 177.492 -0.837 18714 4391 1 11 . 1 1 62 62 ARG CA C 62 57.462 57.462 57.960 -0.498 18714 4392 1 11 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.317 -0.421 18714 4393 1 11 . 1 1 62 62 ARG H H 62 7.690 7.690 7.499 0.191 18714 4394 1 11 . 1 1 63 63 ASN N N 63 117.472 117.472 119.269 -1.797 18714 4395 1 11 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.567 0.167 18714 4396 1 11 . 1 1 63 63 ASN C C 63 175.194 175.194 174.515 0.679 18714 4397 1 11 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.873 0.268 18714 4398 1 11 . 1 1 63 63 ASN CB C 63 38.875 38.875 38.288 0.587 18714 4399 1 11 . 1 1 63 63 ASN H H 63 8.003 8.003 7.479 0.524 18714 4400 1 11 . 1 1 64 64 SER N N 64 115.768 115.768 120.300 -4.532 18714 4401 1 11 . 1 1 64 64 SER HA H 64 4.402 4.402 4.424 -0.022 18714 4402 1 11 . 1 1 64 64 SER C C 64 174.721 174.721 174.242 0.479 18714 4403 1 11 . 1 1 64 64 SER CA C 64 58.758 58.758 58.673 0.085 18714 4404 1 11 . 1 1 64 64 SER CB C 64 63.620 63.620 64.003 -0.383 18714 4405 1 11 . 1 1 64 64 SER H H 64 7.942 7.942 7.937 0.005 18714 4406 1 11 . 1 1 65 65 LYS N N 65 122.579 122.579 125.764 -3.185 18714 4407 1 11 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.347 -0.037 18714 4408 1 11 . 1 1 65 65 LYS C C 65 176.665 176.665 176.259 0.406 18714 4409 1 11 . 1 1 65 65 LYS CA C 65 56.366 56.366 55.754 0.612 18714 4410 1 11 . 1 1 65 65 LYS CB C 65 33.054 33.054 30.566 2.489 18714 4411 1 11 . 1 1 65 65 LYS H H 65 8.319 8.319 8.519 -0.200 18714 4412 1 11 . 1 1 66 66 SER N N 66 115.560 115.560 119.213 -3.653 18714 4413 1 11 . 1 1 66 66 SER HA H 66 4.425 4.425 4.491 -0.066 18714 4414 1 11 . 1 1 66 66 SER CA C 66 58.577 58.577 58.453 0.124 18714 4415 1 11 . 1 1 66 66 SER CB C 66 63.670 63.670 63.449 0.221 18714 4416 1 11 . 1 1 66 66 SER H H 66 8.184 8.184 8.381 -0.197 18714 4417 1 11 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.545 0.158 18714 4418 1 11 . 1 1 67 67 ASN C C 67 175.196 175.196 174.020 1.176 18714 4419 1 11 . 1 1 67 67 ASN CA C 67 53.417 53.417 54.182 -0.765 18714 4420 1 11 . 1 1 67 67 ASN CB C 67 38.593 38.593 37.479 1.114 18714 4421 1 11 . 1 1 68 68 GLN N N 68 120.106 120.106 119.402 0.704 18714 4422 1 11 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.556 -0.253 18714 4423 1 11 . 1 1 68 68 GLN C C 68 175.708 175.708 175.568 0.140 18714 4424 1 11 . 1 1 68 68 GLN CA C 68 56.172 56.172 54.740 1.431 18714 4425 1 11 . 1 1 68 68 GLN CB C 68 29.172 29.172 31.009 -1.837 18714 4426 1 11 . 1 1 68 68 GLN H H 68 8.283 8.283 8.288 -0.005 18714 4427 1 11 . 1 1 69 69 CYS N N 69 119.599 119.599 122.041 -2.442 18714 4428 1 11 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.514 -0.110 18714 4429 1 11 . 1 1 69 69 CYS C C 69 174.412 174.412 175.175 -0.763 18714 4430 1 11 . 1 1 69 69 CYS CA C 69 58.693 58.693 58.545 0.148 18714 4431 1 11 . 1 1 69 69 CYS CB C 69 27.610 27.610 28.381 -0.770 18714 4432 1 11 . 1 1 69 69 CYS H H 69 8.313 8.313 8.460 -0.147 18714 4433 1 11 . 1 1 70 70 LEU N N 70 123.832 123.832 129.564 -5.732 18714 4434 1 11 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.443 -0.176 18714 4435 1 11 . 1 1 70 70 LEU C C 70 176.645 176.645 175.682 0.963 18714 4436 1 11 . 1 1 70 70 LEU CA C 70 55.283 55.283 55.013 0.270 18714 4437 1 11 . 1 1 70 70 LEU CB C 70 42.259 42.259 41.768 0.491 18714 4438 1 11 . 1 1 70 70 LEU H H 70 8.201 8.201 8.622 -0.421 18714 4439 1 11 . 1 1 71 71 HIS N N 71 119.423 119.423 126.549 -7.126 18714 4440 1 11 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.726 -0.078 18714 4441 1 11 . 1 1 71 71 HIS C C 71 174.494 174.494 173.902 0.592 18714 4442 1 11 . 1 1 71 71 HIS CA C 71 55.424 55.424 55.910 -0.486 18714 4443 1 11 . 1 1 71 71 HIS CB C 71 29.687 29.687 30.943 -1.256 18714 4444 1 11 . 1 1 71 71 HIS H H 71 8.308 8.308 8.428 -0.120 18714 4445 1 11 . 1 1 72 72 LEU N N 72 122.990 122.990 125.755 -2.765 18714 4446 1 11 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.527 -0.194 18714 4447 1 11 . 1 1 72 72 LEU C C 72 176.645 176.645 176.737 -0.092 18714 4448 1 11 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.641 0.340 18714 4449 1 11 . 1 1 72 72 LEU CB C 72 42.181 42.181 41.715 0.466 18714 4450 1 11 . 1 1 72 72 LEU H H 72 8.146 8.146 8.288 -0.142 18714 4451 1 11 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.784 -0.051 18714 4452 1 11 . 1 1 73 73 ASN C C 73 173.774 173.774 174.424 -0.650 18714 4453 1 11 . 1 1 73 73 ASN CA C 73 53.033 53.033 52.734 0.299 18714 4454 1 11 . 1 1 73 73 ASN CB C 73 38.928 38.928 39.482 -0.554 18714 4455 1 11 . 1 1 73 73 ASN H H 73 8.428 8.428 8.694 -0.266 18714 4456 1 12 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.537 -0.153 18714 4457 1 12 . 1 1 4 4 PRO C C 4 176.388 176.388 175.899 0.489 18714 4458 1 12 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.659 0.438 18714 4459 1 12 . 1 1 4 4 PRO CB C 4 32.056 32.056 30.689 1.367 18714 4460 1 12 . 1 1 5 5 ASP N N 5 120.482 120.482 122.150 -1.668 18714 4461 1 12 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.186 0.358 18714 4462 1 12 . 1 1 5 5 ASP C C 5 176.336 176.336 176.021 0.315 18714 4463 1 12 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.859 -0.537 18714 4464 1 12 . 1 1 5 5 ASP CB C 5 41.006 41.006 40.612 0.394 18714 4465 1 12 . 1 1 5 5 ASP H H 5 8.415 8.415 7.951 0.464 18714 4466 1 12 . 1 1 6 6 SER N N 6 115.481 115.481 115.320 0.161 18714 4467 1 12 . 1 1 6 6 SER HA H 6 4.326 4.326 4.206 0.120 18714 4468 1 12 . 1 1 6 6 SER C C 6 174.494 174.494 174.012 0.482 18714 4469 1 12 . 1 1 6 6 SER CA C 6 58.559 58.559 58.911 -0.352 18714 4470 1 12 . 1 1 6 6 SER CB C 6 63.461 63.461 62.814 0.647 18714 4471 1 12 . 1 1 6 6 SER H H 6 8.146 8.146 7.749 0.397 18714 4472 1 12 . 1 1 7 7 PHE N N 7 121.475 121.475 125.718 -4.243 18714 4473 1 12 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.644 -0.085 18714 4474 1 12 . 1 1 7 7 PHE C C 7 176.285 176.285 177.038 -0.753 18714 4475 1 12 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.062 1.165 18714 4476 1 12 . 1 1 7 7 PHE CB C 7 39.213 39.213 39.764 -0.551 18714 4477 1 12 . 1 1 7 7 PHE H H 7 8.236 8.236 8.005 0.231 18714 4478 1 12 . 1 1 8 8 GLY N N 8 109.715 109.715 108.668 1.047 18714 4479 1 12 . 1 1 8 8 GLY C C 8 174.124 174.124 173.586 0.538 18714 4480 1 12 . 1 1 8 8 GLY CA C 8 45.366 45.366 45.070 0.296 18714 4481 1 12 . 1 1 8 8 GLY H H 8 8.256 8.256 8.392 -0.136 18714 4482 1 12 . 1 1 9 9 ILE N N 9 120.361 120.361 122.185 -1.824 18714 4483 1 12 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.300 -0.188 18714 4484 1 12 . 1 1 9 9 ILE C C 9 176.429 176.429 176.220 0.209 18714 4485 1 12 . 1 1 9 9 ILE CA C 9 61.453 61.453 60.407 1.046 18714 4486 1 12 . 1 1 9 9 ILE CB C 9 38.386 38.386 35.470 2.916 18714 4487 1 12 . 1 1 9 9 ILE H H 9 7.975 7.975 8.397 -0.422 18714 4488 1 12 . 1 1 10 10 ARG N N 10 124.698 124.698 125.224 -0.526 18714 4489 1 12 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.488 -0.162 18714 4490 1 12 . 1 1 10 10 ARG C C 10 175.925 175.925 175.698 0.227 18714 4491 1 12 . 1 1 10 10 ARG CA C 10 55.824 55.824 55.975 -0.151 18714 4492 1 12 . 1 1 10 10 ARG CB C 10 30.482 30.482 31.099 -0.617 18714 4493 1 12 . 1 1 10 10 ARG H H 10 8.407 8.407 8.483 -0.076 18714 4494 1 12 . 1 1 11 11 ALA N N 11 124.966 124.966 123.134 1.832 18714 4495 1 12 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.576 -0.303 18714 4496 1 12 . 1 1 11 11 ALA C C 11 177.715 177.715 175.727 1.988 18714 4497 1 12 . 1 1 11 11 ALA CA C 11 52.525 52.525 51.705 0.821 18714 4498 1 12 . 1 1 11 11 ALA CB C 11 19.094 19.094 21.088 -1.994 18714 4499 1 12 . 1 1 11 11 ALA H H 11 8.257 8.257 7.802 0.455 18714 4500 1 12 . 1 1 12 12 LYS N N 12 120.850 120.850 121.343 -0.493 18714 4501 1 12 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.528 -0.203 18714 4502 1 12 . 1 1 12 12 LYS C C 12 176.655 176.655 175.328 1.327 18714 4503 1 12 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.410 -0.296 18714 4504 1 12 . 1 1 12 12 LYS CB C 12 32.985 32.985 32.760 0.225 18714 4505 1 12 . 1 1 12 12 LYS H H 12 8.217 8.217 8.402 -0.185 18714 4506 1 12 . 1 1 13 13 LYS N N 13 122.258 122.258 125.601 -3.343 18714 4507 1 12 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.641 -0.033 18714 4508 1 12 . 1 1 13 13 LYS C C 13 177.005 177.005 176.285 0.720 18714 4509 1 12 . 1 1 13 13 LYS CA C 13 55.875 55.875 54.489 1.386 18714 4510 1 12 . 1 1 13 13 LYS CB C 13 33.731 33.731 35.275 -1.544 18714 4511 1 12 . 1 1 13 13 LYS H H 13 8.317 8.317 8.401 -0.084 18714 4512 1 12 . 1 1 14 14 THR N N 14 113.409 113.409 116.665 -3.256 18714 4513 1 12 . 1 1 14 14 THR HA H 14 4.387 4.387 4.451 -0.064 18714 4514 1 12 . 1 1 14 14 THR C C 14 175.215 175.215 175.680 -0.465 18714 4515 1 12 . 1 1 14 14 THR CA C 14 61.057 61.057 62.238 -1.181 18714 4516 1 12 . 1 1 14 14 THR CB C 14 70.754 70.754 70.622 0.132 18714 4517 1 12 . 1 1 14 14 THR H H 14 8.747 8.747 8.600 0.147 18714 4518 1 12 . 1 1 15 15 LYS N N 15 120.711 120.711 124.950 -4.239 18714 4519 1 12 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.946 0.017 18714 4520 1 12 . 1 1 15 15 LYS C C 15 178.898 178.898 178.896 0.002 18714 4521 1 12 . 1 1 15 15 LYS CA C 15 59.587 59.587 60.056 -0.469 18714 4522 1 12 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.195 -0.179 18714 4523 1 12 . 1 1 15 15 LYS H H 15 8.804 8.804 8.835 -0.031 18714 4524 1 12 . 1 1 16 16 GLU N N 16 119.447 119.447 118.910 0.537 18714 4525 1 12 . 1 1 16 16 GLU HA H 16 4.043 4.043 3.980 0.063 18714 4526 1 12 . 1 1 16 16 GLU C C 16 179.536 179.536 178.829 0.707 18714 4527 1 12 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.663 0.448 18714 4528 1 12 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.303 -0.606 18714 4529 1 12 . 1 1 16 16 GLU H H 16 8.715 8.715 8.480 0.235 18714 4530 1 12 . 1 1 17 17 GLN N N 17 119.610 119.610 119.375 0.235 18714 4531 1 12 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.898 -0.037 18714 4532 1 12 . 1 1 17 17 GLN C C 17 177.725 177.725 178.370 -0.645 18714 4533 1 12 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.873 0.012 18714 4534 1 12 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.820 -0.119 18714 4535 1 12 . 1 1 17 17 GLN H H 17 7.811 7.811 7.534 0.277 18714 4536 1 12 . 1 1 18 18 LEU N N 18 116.893 116.893 119.435 -2.542 18714 4537 1 12 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.719 -0.135 18714 4538 1 12 . 1 1 18 18 LEU C C 18 178.250 178.250 178.345 -0.095 18714 4539 1 12 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.144 0.084 18714 4540 1 12 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.928 -0.265 18714 4541 1 12 . 1 1 18 18 LEU H H 18 8.190 8.190 8.228 -0.038 18714 4542 1 12 . 1 1 19 19 ALA N N 19 120.561 120.561 121.454 -0.893 18714 4543 1 12 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.968 0.019 18714 4544 1 12 . 1 1 19 19 ALA C C 19 180.071 180.071 179.669 0.402 18714 4545 1 12 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.343 -0.212 18714 4546 1 12 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.968 -0.047 18714 4547 1 12 . 1 1 19 19 ALA H H 19 8.013 8.013 7.878 0.135 18714 4548 1 12 . 1 1 20 20 GLU N N 20 115.648 115.648 118.556 -2.908 18714 4549 1 12 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.015 0.022 18714 4550 1 12 . 1 1 20 20 GLU C C 20 179.526 179.526 179.155 0.371 18714 4551 1 12 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.873 -0.929 18714 4552 1 12 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.165 -0.305 18714 4553 1 12 . 1 1 20 20 GLU H H 20 7.165 7.165 7.618 -0.453 18714 4554 1 12 . 1 1 21 21 LEU N N 21 120.140 120.140 119.571 0.569 18714 4555 1 12 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.733 -0.175 18714 4556 1 12 . 1 1 21 21 LEU C C 21 177.344 177.344 178.766 -1.422 18714 4557 1 12 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.270 0.641 18714 4558 1 12 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.364 -2.532 18714 4559 1 12 . 1 1 21 21 LEU H H 21 7.428 7.428 7.528 -0.100 18714 4560 1 12 . 1 1 22 22 LYS N N 22 117.352 117.352 119.759 -2.407 18714 4561 1 12 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.311 -0.335 18714 4562 1 12 . 1 1 22 22 LYS C C 22 178.805 178.805 179.197 -0.392 18714 4563 1 12 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.767 0.515 18714 4564 1 12 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.343 -0.169 18714 4565 1 12 . 1 1 22 22 LYS H H 22 8.021 8.021 7.454 0.567 18714 4566 1 12 . 1 1 23 23 VAL N N 23 117.470 117.470 119.810 -2.340 18714 4567 1 12 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.749 -0.052 18714 4568 1 12 . 1 1 23 23 VAL C C 23 178.291 178.291 178.179 0.112 18714 4569 1 12 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.483 -0.062 18714 4570 1 12 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.964 0.746 18714 4571 1 12 . 1 1 23 23 VAL H H 23 7.618 7.618 8.053 -0.435 18714 4572 1 12 . 1 1 24 24 SER N N 24 113.371 113.371 114.964 -1.593 18714 4573 1 12 . 1 1 24 24 SER HA H 24 4.247 4.247 4.279 -0.032 18714 4574 1 12 . 1 1 24 24 SER C C 24 177.015 177.015 176.740 0.275 18714 4575 1 12 . 1 1 24 24 SER CA C 24 61.550 61.550 61.458 0.092 18714 4576 1 12 . 1 1 24 24 SER CB C 24 62.987 62.987 63.323 -0.336 18714 4577 1 12 . 1 1 24 24 SER H H 24 7.340 7.340 7.682 -0.342 18714 4578 1 12 . 1 1 25 25 TYR N N 25 120.532 120.532 124.142 -3.610 18714 4579 1 12 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.709 -0.457 18714 4580 1 12 . 1 1 25 25 TYR C C 25 176.470 176.470 178.041 -1.571 18714 4581 1 12 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.694 0.101 18714 4582 1 12 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.863 -0.252 18714 4583 1 12 . 1 1 25 25 TYR H H 25 8.888 8.888 8.100 0.788 18714 4584 1 12 . 1 1 26 26 LEU N N 26 115.079 115.079 118.046 -2.967 18714 4585 1 12 . 1 1 26 26 LEU HA H 26 4.035 4.035 4.035 0.000 18714 4586 1 12 . 1 1 26 26 LEU C C 26 179.021 179.021 178.507 0.514 18714 4587 1 12 . 1 1 26 26 LEU CA C 26 56.850 56.850 57.201 -0.351 18714 4588 1 12 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.839 0.144 18714 4589 1 12 . 1 1 26 26 LEU H H 26 7.953 7.953 8.376 -0.423 18714 4590 1 12 . 1 1 27 27 LYS N N 27 119.058 119.058 117.540 1.518 18714 4591 1 12 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.218 -0.049 18714 4592 1 12 . 1 1 27 27 LYS C C 27 177.375 177.375 176.548 0.827 18714 4593 1 12 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.326 1.175 18714 4594 1 12 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.287 -0.654 18714 4595 1 12 . 1 1 27 27 LYS H H 27 7.503 7.503 7.837 -0.334 18714 4596 1 12 . 1 1 28 28 ASN N N 28 116.296 116.296 116.326 -0.030 18714 4597 1 12 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.859 -0.339 18714 4598 1 12 . 1 1 28 28 ASN C C 28 174.134 174.134 174.533 -0.399 18714 4599 1 12 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.831 0.874 18714 4600 1 12 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.427 -0.061 18714 4601 1 12 . 1 1 28 28 ASN H H 28 8.163 8.163 7.689 0.474 18714 4602 1 12 . 1 1 29 29 GLN N N 29 123.819 123.819 121.641 2.178 18714 4603 1 12 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.820 0.030 18714 4604 1 12 . 1 1 29 29 GLN C C 29 173.785 173.785 175.329 -1.544 18714 4605 1 12 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.046 0.556 18714 4606 1 12 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.994 -0.763 18714 4607 1 12 . 1 1 29 29 GLN H H 29 8.560 8.560 8.537 0.023 18714 4608 1 12 . 1 1 30 30 PHE N N 30 116.997 116.997 117.978 -0.981 18714 4609 1 12 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.552 0.190 18714 4610 1 12 . 1 1 30 30 PHE CA C 30 53.470 53.470 55.584 -2.114 18714 4611 1 12 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.072 0.064 18714 4612 1 12 . 1 1 30 30 PHE H H 30 8.014 8.014 7.716 0.298 18714 4613 1 12 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.332 -0.353 18714 4614 1 12 . 1 1 31 31 PRO C C 31 177.285 177.285 175.644 1.641 18714 4615 1 12 . 1 1 31 31 PRO CA C 31 62.264 62.264 61.742 0.522 18714 4616 1 12 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.263 -1.486 18714 4617 1 12 . 1 1 32 32 HIS N N 32 120.779 120.779 116.634 4.145 18714 4618 1 12 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.607 -0.032 18714 4619 1 12 . 1 1 32 32 HIS C C 32 176.601 176.601 176.166 0.435 18714 4620 1 12 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.643 -1.227 18714 4621 1 12 . 1 1 32 32 HIS CB C 32 31.396 31.396 31.078 0.318 18714 4622 1 12 . 1 1 32 32 HIS H H 32 8.401 8.401 8.241 0.160 18714 4623 1 12 . 1 1 33 33 ASP N N 33 124.390 124.390 121.520 2.870 18714 4624 1 12 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.381 -0.105 18714 4625 1 12 . 1 1 33 33 ASP C C 33 178.064 178.064 177.827 0.237 18714 4626 1 12 . 1 1 33 33 ASP CA C 33 58.486 58.486 57.472 1.014 18714 4627 1 12 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.964 -0.513 18714 4628 1 12 . 1 1 33 33 ASP H H 33 8.691 8.691 8.844 -0.153 18714 4629 1 12 . 1 1 34 34 SER N N 34 114.256 114.256 115.464 -1.208 18714 4630 1 12 . 1 1 34 34 SER HA H 34 4.109 4.109 4.119 -0.010 18714 4631 1 12 . 1 1 34 34 SER C C 34 176.645 176.645 176.583 0.062 18714 4632 1 12 . 1 1 34 34 SER CA C 34 60.282 60.282 61.392 -1.110 18714 4633 1 12 . 1 1 34 34 SER CB C 34 61.931 61.931 62.737 -0.806 18714 4634 1 12 . 1 1 34 34 SER H H 34 9.494 9.494 8.538 0.956 18714 4635 1 12 . 1 1 35 35 GLU N N 35 126.075 126.075 122.935 3.140 18714 4636 1 12 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.088 0.815 18714 4637 1 12 . 1 1 35 35 GLU C C 35 177.715 177.715 179.005 -1.290 18714 4638 1 12 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.014 -2.130 18714 4639 1 12 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.152 -0.631 18714 4640 1 12 . 1 1 35 35 GLU H H 35 7.493 7.493 8.279 -0.786 18714 4641 1 12 . 1 1 36 36 ILE N N 36 120.906 120.906 119.795 1.111 18714 4642 1 12 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.861 -0.258 18714 4643 1 12 . 1 1 36 36 ILE C C 36 177.725 177.725 178.405 -0.680 18714 4644 1 12 . 1 1 36 36 ILE CA C 36 64.945 64.945 64.935 0.010 18714 4645 1 12 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.846 -1.973 18714 4646 1 12 . 1 1 36 36 ILE H H 36 7.697 7.697 7.727 -0.030 18714 4647 1 12 . 1 1 37 37 ILE N N 37 119.451 119.451 121.110 -1.659 18714 4648 1 12 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.715 0.244 18714 4649 1 12 . 1 1 37 37 ILE C C 37 178.085 178.085 178.004 0.081 18714 4650 1 12 . 1 1 37 37 ILE CA C 37 64.734 64.734 65.150 -0.416 18714 4651 1 12 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.676 0.105 18714 4652 1 12 . 1 1 37 37 ILE H H 37 8.229 8.229 8.199 0.030 18714 4653 1 12 . 1 1 38 38 ARG N N 38 122.344 122.344 120.541 1.803 18714 4654 1 12 . 1 1 38 38 ARG HA H 38 3.968 3.968 3.985 -0.017 18714 4655 1 12 . 1 1 38 38 ARG C C 38 179.165 179.165 178.808 0.357 18714 4656 1 12 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.826 0.095 18714 4657 1 12 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.117 0.546 18714 4658 1 12 . 1 1 38 38 ARG H H 38 7.664 7.664 7.722 -0.058 18714 4659 1 12 . 1 1 39 39 LEU N N 39 117.479 117.479 118.940 -1.461 18714 4660 1 12 . 1 1 39 39 LEU HA H 39 4.026 4.026 4.000 0.026 18714 4661 1 12 . 1 1 39 39 LEU C C 39 181.316 181.316 178.906 2.410 18714 4662 1 12 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.845 -0.265 18714 4663 1 12 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.921 1.463 18714 4664 1 12 . 1 1 39 39 LEU H H 39 8.629 8.629 8.174 0.455 18714 4665 1 12 . 1 1 40 40 MET N N 40 126.468 126.468 117.826 8.642 18714 4666 1 12 . 1 1 40 40 MET HA H 40 3.957 3.957 4.126 -0.169 18714 4667 1 12 . 1 1 40 40 MET C C 40 178.466 178.466 178.414 0.052 18714 4668 1 12 . 1 1 40 40 MET CA C 40 60.109 60.109 58.941 1.168 18714 4669 1 12 . 1 1 40 40 MET CB C 40 34.065 34.065 32.468 1.597 18714 4670 1 12 . 1 1 40 40 MET H H 40 9.112 9.112 7.916 1.196 18714 4671 1 12 . 1 1 41 41 LYS N N 41 119.282 119.282 118.310 0.972 18714 4672 1 12 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.085 -0.045 18714 4673 1 12 . 1 1 41 41 LYS C C 41 178.805 178.805 178.832 -0.027 18714 4674 1 12 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.616 0.599 18714 4675 1 12 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.211 -0.084 18714 4676 1 12 . 1 1 41 41 LYS H H 41 7.721 7.721 7.755 -0.034 18714 4677 1 12 . 1 1 42 42 ILE N N 42 114.582 114.582 117.119 -2.537 18714 4678 1 12 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.092 0.058 18714 4679 1 12 . 1 1 42 42 ILE C C 42 177.365 177.365 178.064 -0.699 18714 4680 1 12 . 1 1 42 42 ILE CA C 42 62.717 62.717 62.789 -0.072 18714 4681 1 12 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.836 0.995 18714 4682 1 12 . 1 1 42 42 ILE H H 42 7.804 7.804 7.851 -0.047 18714 4683 1 12 . 1 1 43 43 THR N N 43 107.511 107.511 111.810 -4.299 18714 4684 1 12 . 1 1 43 43 THR HA H 43 4.536 4.536 4.173 0.363 18714 4685 1 12 . 1 1 43 43 THR C C 43 176.120 176.120 175.904 0.216 18714 4686 1 12 . 1 1 43 43 THR CA C 43 63.136 63.136 63.942 -0.806 18714 4687 1 12 . 1 1 43 43 THR CB C 43 72.060 72.060 69.556 2.503 18714 4688 1 12 . 1 1 43 43 THR H H 43 8.313 8.313 8.147 0.166 18714 4689 1 12 . 1 1 44 44 GLY N N 44 111.235 111.235 110.171 1.064 18714 4690 1 12 . 1 1 44 44 GLY C C 44 174.134 174.134 174.683 -0.549 18714 4691 1 12 . 1 1 44 44 GLY CA C 44 45.805 45.805 45.301 0.504 18714 4692 1 12 . 1 1 44 44 GLY H H 44 8.055 8.055 7.711 0.344 18714 4693 1 12 . 1 1 45 45 LEU N N 45 120.586 120.586 120.371 0.215 18714 4694 1 12 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.550 -0.045 18714 4695 1 12 . 1 1 45 45 LEU C C 45 176.634 176.634 177.605 -0.971 18714 4696 1 12 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.766 -0.009 18714 4697 1 12 . 1 1 45 45 LEU CB C 45 43.306 43.306 43.341 -0.035 18714 4698 1 12 . 1 1 45 45 LEU H H 45 7.708 7.708 7.624 0.084 18714 4699 1 12 . 1 1 46 46 THR N N 46 109.308 109.308 111.441 -2.133 18714 4700 1 12 . 1 1 46 46 THR HA H 46 4.325 4.325 4.559 -0.234 18714 4701 1 12 . 1 1 46 46 THR C C 46 175.215 175.215 175.133 0.082 18714 4702 1 12 . 1 1 46 46 THR CA C 46 60.914 60.914 61.014 -0.099 18714 4703 1 12 . 1 1 46 46 THR CB C 46 71.237 71.237 70.895 0.342 18714 4704 1 12 . 1 1 46 46 THR H H 46 8.570 8.570 8.542 0.028 18714 4705 1 12 . 1 1 47 47 LYS N N 47 121.342 121.342 125.084 -3.742 18714 4706 1 12 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.980 -0.295 18714 4707 1 12 . 1 1 47 47 LYS C C 47 178.805 178.805 178.725 0.080 18714 4708 1 12 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.911 0.881 18714 4709 1 12 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.024 0.310 18714 4710 1 12 . 1 1 47 47 LYS H H 47 8.797 8.797 8.939 -0.142 18714 4711 1 12 . 1 1 48 48 GLY N N 48 104.143 104.143 106.534 -2.391 18714 4712 1 12 . 1 1 48 48 GLY C C 48 177.149 177.149 176.226 0.923 18714 4713 1 12 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.747 0.142 18714 4714 1 12 . 1 1 48 48 GLY H H 48 8.715 8.715 8.404 0.311 18714 4715 1 12 . 1 1 49 49 GLU N N 49 121.943 121.943 122.138 -0.195 18714 4716 1 12 . 1 1 49 49 GLU HA H 49 4.090 4.090 3.985 0.105 18714 4717 1 12 . 1 1 49 49 GLU C C 49 179.886 179.886 179.116 0.770 18714 4718 1 12 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.384 -0.201 18714 4719 1 12 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.654 1.036 18714 4720 1 12 . 1 1 49 49 GLU H H 49 7.851 7.851 7.496 0.355 18714 4721 1 12 . 1 1 50 50 ILE N N 50 121.748 121.748 120.079 1.669 18714 4722 1 12 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.594 0.166 18714 4723 1 12 . 1 1 50 50 ILE C C 50 177.735 177.735 178.069 -0.334 18714 4724 1 12 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.178 0.940 18714 4725 1 12 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.756 0.356 18714 4726 1 12 . 1 1 50 50 ILE H H 50 8.224 8.224 7.717 0.507 18714 4727 1 12 . 1 1 51 51 LYS N N 51 119.119 119.119 119.654 -0.535 18714 4728 1 12 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.302 -0.241 18714 4729 1 12 . 1 1 51 51 LYS C C 51 179.526 179.526 179.341 0.185 18714 4730 1 12 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.929 1.190 18714 4731 1 12 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.371 -0.475 18714 4732 1 12 . 1 1 51 51 LYS H H 51 8.842 8.842 8.013 0.829 18714 4733 1 12 . 1 1 52 52 LYS N N 52 120.252 120.252 119.857 0.395 18714 4734 1 12 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.171 0.023 18714 4735 1 12 . 1 1 52 52 LYS C C 52 176.830 176.830 178.623 -1.793 18714 4736 1 12 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.176 -0.426 18714 4737 1 12 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.322 0.065 18714 4738 1 12 . 1 1 52 52 LYS H H 52 8.208 8.208 7.629 0.579 18714 4739 1 12 . 1 1 53 53 TRP N N 53 120.333 120.333 122.548 -2.215 18714 4740 1 12 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.154 0.035 18714 4741 1 12 . 1 1 53 53 TRP C C 53 180.266 180.266 177.769 2.497 18714 4742 1 12 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.596 1.123 18714 4743 1 12 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.182 -1.028 18714 4744 1 12 . 1 1 53 53 TRP H H 53 8.132 8.132 7.934 0.198 18714 4745 1 12 . 1 1 54 54 PHE N N 54 120.742 120.742 116.897 3.845 18714 4746 1 12 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.992 -0.278 18714 4747 1 12 . 1 1 54 54 PHE C C 54 177.488 177.488 177.960 -0.472 18714 4748 1 12 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.325 1.568 18714 4749 1 12 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.218 1.184 18714 4750 1 12 . 1 1 54 54 PHE H H 54 8.903 8.903 7.915 0.988 18714 4751 1 12 . 1 1 55 55 SER N N 55 113.136 113.136 114.999 -1.863 18714 4752 1 12 . 1 1 55 55 SER HA H 55 4.063 4.063 4.207 -0.144 18714 4753 1 12 . 1 1 55 55 SER C C 55 177.571 177.571 176.937 0.634 18714 4754 1 12 . 1 1 55 55 SER CA C 55 62.419 62.419 61.766 0.653 18714 4755 1 12 . 1 1 55 55 SER CB C 55 62.673 62.673 62.734 -0.061 18714 4756 1 12 . 1 1 55 55 SER H H 55 8.136 8.136 7.879 0.257 18714 4757 1 12 . 1 1 56 56 ASP N N 56 122.871 122.871 122.984 -0.113 18714 4758 1 12 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.490 -0.192 18714 4759 1 12 . 1 1 56 56 ASP C C 56 178.085 178.085 178.647 -0.562 18714 4760 1 12 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.320 -0.357 18714 4761 1 12 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.470 -0.749 18714 4762 1 12 . 1 1 56 56 ASP H H 56 9.091 9.091 8.124 0.967 18714 4763 1 12 . 1 1 57 57 THR N N 57 118.957 118.957 116.067 2.890 18714 4764 1 12 . 1 1 57 57 THR HA H 57 3.335 3.335 3.645 -0.310 18714 4765 1 12 . 1 1 57 57 THR C C 57 175.925 175.925 176.002 -0.077 18714 4766 1 12 . 1 1 57 57 THR CA C 57 67.064 67.064 66.179 0.885 18714 4767 1 12 . 1 1 57 57 THR CB C 57 67.387 67.387 67.631 -0.244 18714 4768 1 12 . 1 1 57 57 THR H H 57 7.926 7.926 8.005 -0.079 18714 4769 1 12 . 1 1 58 58 ARG N N 58 120.980 120.980 121.845 -0.865 18714 4770 1 12 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.219 -0.018 18714 4771 1 12 . 1 1 58 58 ARG C C 58 179.536 179.536 178.688 0.848 18714 4772 1 12 . 1 1 58 58 ARG CA C 58 59.976 59.976 58.839 1.137 18714 4773 1 12 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.619 1.775 18714 4774 1 12 . 1 1 58 58 ARG H H 58 8.139 8.139 7.796 0.343 18714 4775 1 12 . 1 1 59 59 TYR N N 59 119.449 119.449 120.328 -0.879 18714 4776 1 12 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.179 -0.035 18714 4777 1 12 . 1 1 59 59 TYR C C 59 178.075 178.075 177.420 0.655 18714 4778 1 12 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.955 -0.635 18714 4779 1 12 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.309 -0.307 18714 4780 1 12 . 1 1 59 59 TYR H H 59 8.004 8.004 8.216 -0.212 18714 4781 1 12 . 1 1 60 60 ASN N N 60 118.169 118.169 116.729 1.440 18714 4782 1 12 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.499 -0.145 18714 4783 1 12 . 1 1 60 60 ASN C C 60 177.005 177.005 177.163 -0.158 18714 4784 1 12 . 1 1 60 60 ASN CA C 60 55.160 55.160 54.698 0.462 18714 4785 1 12 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.380 -0.088 18714 4786 1 12 . 1 1 60 60 ASN H H 60 8.354 8.354 7.721 0.633 18714 4787 1 12 . 1 1 61 61 GLN N N 61 118.671 118.671 117.311 1.360 18714 4788 1 12 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.243 -0.102 18714 4789 1 12 . 1 1 61 61 GLN C C 61 177.046 177.046 177.708 -0.662 18714 4790 1 12 . 1 1 61 61 GLN CA C 61 57.217 57.217 56.932 0.285 18714 4791 1 12 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.719 -0.253 18714 4792 1 12 . 1 1 61 61 GLN H H 61 7.971 7.971 7.965 0.006 18714 4793 1 12 . 1 1 62 62 ARG N N 62 119.140 119.140 120.289 -1.149 18714 4794 1 12 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.174 0.015 18714 4795 1 12 . 1 1 62 62 ARG C C 62 176.655 176.655 176.938 -0.283 18714 4796 1 12 . 1 1 62 62 ARG CA C 62 57.462 57.462 58.220 -0.758 18714 4797 1 12 . 1 1 62 62 ARG CB C 62 29.896 29.896 31.068 -1.172 18714 4798 1 12 . 1 1 62 62 ARG H H 62 7.690 7.690 7.803 -0.113 18714 4799 1 12 . 1 1 63 63 ASN N N 63 117.472 117.472 119.964 -2.492 18714 4800 1 12 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.813 -0.079 18714 4801 1 12 . 1 1 63 63 ASN C C 63 175.194 175.194 174.520 0.674 18714 4802 1 12 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.470 0.671 18714 4803 1 12 . 1 1 63 63 ASN CB C 63 38.875 38.875 38.617 0.258 18714 4804 1 12 . 1 1 63 63 ASN H H 63 8.003 8.003 8.043 -0.040 18714 4805 1 12 . 1 1 64 64 SER N N 64 115.768 115.768 115.730 0.038 18714 4806 1 12 . 1 1 64 64 SER HA H 64 4.402 4.402 4.553 -0.151 18714 4807 1 12 . 1 1 64 64 SER C C 64 174.721 174.721 173.793 0.928 18714 4808 1 12 . 1 1 64 64 SER CA C 64 58.758 58.758 59.507 -0.749 18714 4809 1 12 . 1 1 64 64 SER CB C 64 63.620 63.620 63.490 0.129 18714 4810 1 12 . 1 1 64 64 SER H H 64 7.942 7.942 8.565 -0.623 18714 4811 1 12 . 1 1 65 65 LYS N N 65 122.579 122.579 119.454 3.125 18714 4812 1 12 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.482 -0.172 18714 4813 1 12 . 1 1 65 65 LYS C C 65 176.665 176.665 174.226 2.439 18714 4814 1 12 . 1 1 65 65 LYS CA C 65 56.366 56.366 55.758 0.608 18714 4815 1 12 . 1 1 65 65 LYS CB C 65 33.054 33.054 34.859 -1.805 18714 4816 1 12 . 1 1 65 65 LYS H H 65 8.319 8.319 7.446 0.873 18714 4817 1 12 . 1 1 66 66 SER N N 66 115.560 115.560 118.363 -2.803 18714 4818 1 12 . 1 1 66 66 SER HA H 66 4.425 4.425 4.463 -0.038 18714 4819 1 12 . 1 1 66 66 SER CA C 66 58.577 58.577 58.151 0.426 18714 4820 1 12 . 1 1 66 66 SER CB C 66 63.670 63.670 64.062 -0.392 18714 4821 1 12 . 1 1 66 66 SER H H 66 8.184 8.184 8.544 -0.360 18714 4822 1 12 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.466 0.237 18714 4823 1 12 . 1 1 67 67 ASN C C 67 175.196 175.196 173.893 1.303 18714 4824 1 12 . 1 1 67 67 ASN CA C 67 53.417 53.417 54.010 -0.593 18714 4825 1 12 . 1 1 67 67 ASN CB C 67 38.593 38.593 38.872 -0.279 18714 4826 1 12 . 1 1 68 68 GLN N N 68 120.106 120.106 122.596 -2.490 18714 4827 1 12 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.370 -0.067 18714 4828 1 12 . 1 1 68 68 GLN C C 68 175.708 175.708 175.342 0.366 18714 4829 1 12 . 1 1 68 68 GLN CA C 68 56.172 56.172 56.324 -0.152 18714 4830 1 12 . 1 1 68 68 GLN CB C 68 29.172 29.172 30.066 -0.893 18714 4831 1 12 . 1 1 68 68 GLN H H 68 8.283 8.283 8.467 -0.184 18714 4832 1 12 . 1 1 69 69 CYS N N 69 119.599 119.599 122.423 -2.824 18714 4833 1 12 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.430 -0.026 18714 4834 1 12 . 1 1 69 69 CYS C C 69 174.412 174.412 174.196 0.216 18714 4835 1 12 . 1 1 69 69 CYS CA C 69 58.693 58.693 58.575 0.118 18714 4836 1 12 . 1 1 69 69 CYS CB C 69 27.610 27.610 26.804 0.806 18714 4837 1 12 . 1 1 69 69 CYS H H 69 8.313 8.313 8.372 -0.059 18714 4838 1 12 . 1 1 70 70 LEU N N 70 123.832 123.832 127.904 -4.072 18714 4839 1 12 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.387 -0.120 18714 4840 1 12 . 1 1 70 70 LEU C C 70 176.645 176.645 175.778 0.867 18714 4841 1 12 . 1 1 70 70 LEU CA C 70 55.283 55.283 54.977 0.306 18714 4842 1 12 . 1 1 70 70 LEU CB C 70 42.259 42.259 41.239 1.020 18714 4843 1 12 . 1 1 70 70 LEU H H 70 8.201 8.201 8.390 -0.189 18714 4844 1 12 . 1 1 71 71 HIS N N 71 119.423 119.423 120.396 -0.973 18714 4845 1 12 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.242 0.406 18714 4846 1 12 . 1 1 71 71 HIS C C 71 174.494 174.494 174.330 0.164 18714 4847 1 12 . 1 1 71 71 HIS CA C 71 55.424 55.424 56.500 -1.076 18714 4848 1 12 . 1 1 71 71 HIS CB C 71 29.687 29.687 27.788 1.899 18714 4849 1 12 . 1 1 71 71 HIS H H 71 8.308 8.308 8.708 -0.400 18714 4850 1 12 . 1 1 72 72 LEU N N 72 122.990 122.990 119.067 3.923 18714 4851 1 12 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.020 0.313 18714 4852 1 12 . 1 1 72 72 LEU C C 72 176.645 176.645 176.041 0.604 18714 4853 1 12 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.740 0.241 18714 4854 1 12 . 1 1 72 72 LEU CB C 72 42.181 42.181 41.075 1.106 18714 4855 1 12 . 1 1 72 72 LEU H H 72 8.146 8.146 7.883 0.263 18714 4856 1 12 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.679 0.054 18714 4857 1 12 . 1 1 73 73 ASN C C 73 173.774 173.774 175.697 -1.923 18714 4858 1 12 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.459 -0.426 18714 4859 1 12 . 1 1 73 73 ASN CB C 73 38.928 38.928 39.125 -0.197 18714 4860 1 12 . 1 1 73 73 ASN H H 73 8.428 8.428 8.331 0.097 18714 4861 1 13 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.418 -0.034 18714 4862 1 13 . 1 1 4 4 PRO C C 4 176.388 176.388 176.433 -0.045 18714 4863 1 13 . 1 1 4 4 PRO CA C 4 63.097 63.097 63.064 0.033 18714 4864 1 13 . 1 1 4 4 PRO CB C 4 32.056 32.056 31.065 0.991 18714 4865 1 13 . 1 1 5 5 ASP N N 5 120.482 120.482 122.187 -1.705 18714 4866 1 13 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.535 0.009 18714 4867 1 13 . 1 1 5 5 ASP C C 5 176.336 176.336 176.163 0.173 18714 4868 1 13 . 1 1 5 5 ASP CA C 5 54.322 54.322 53.951 0.371 18714 4869 1 13 . 1 1 5 5 ASP CB C 5 41.006 41.006 41.545 -0.539 18714 4870 1 13 . 1 1 5 5 ASP H H 5 8.415 8.415 8.235 0.180 18714 4871 1 13 . 1 1 6 6 SER N N 6 115.481 115.481 114.216 1.265 18714 4872 1 13 . 1 1 6 6 SER HA H 6 4.326 4.326 4.249 0.077 18714 4873 1 13 . 1 1 6 6 SER C C 6 174.494 174.494 173.245 1.249 18714 4874 1 13 . 1 1 6 6 SER CA C 6 58.559 58.559 58.620 -0.061 18714 4875 1 13 . 1 1 6 6 SER CB C 6 63.461 63.461 63.518 -0.057 18714 4876 1 13 . 1 1 6 6 SER H H 6 8.146 8.146 8.557 -0.411 18714 4877 1 13 . 1 1 7 7 PHE N N 7 121.475 121.475 123.489 -2.014 18714 4878 1 13 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.747 -0.188 18714 4879 1 13 . 1 1 7 7 PHE C C 7 176.285 176.285 175.256 1.029 18714 4880 1 13 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.600 0.627 18714 4881 1 13 . 1 1 7 7 PHE CB C 7 39.213 39.213 39.932 -0.719 18714 4882 1 13 . 1 1 7 7 PHE H H 7 8.236 8.236 8.464 -0.228 18714 4883 1 13 . 1 1 8 8 GLY N N 8 109.715 109.715 115.731 -6.016 18714 4884 1 13 . 1 1 8 8 GLY C C 8 174.124 174.124 174.105 0.019 18714 4885 1 13 . 1 1 8 8 GLY CA C 8 45.366 45.366 43.956 1.410 18714 4886 1 13 . 1 1 8 8 GLY H H 8 8.256 8.256 8.265 -0.009 18714 4887 1 13 . 1 1 9 9 ILE N N 9 120.361 120.361 126.103 -5.742 18714 4888 1 13 . 1 1 9 9 ILE HA H 9 4.112 4.112 3.750 0.362 18714 4889 1 13 . 1 1 9 9 ILE C C 9 176.429 176.429 175.795 0.634 18714 4890 1 13 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.356 0.097 18714 4891 1 13 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.135 1.251 18714 4892 1 13 . 1 1 9 9 ILE H H 9 7.975 7.975 8.479 -0.504 18714 4893 1 13 . 1 1 10 10 ARG N N 10 124.698 124.698 120.896 3.802 18714 4894 1 13 . 1 1 10 10 ARG HA H 10 4.326 4.326 3.826 0.500 18714 4895 1 13 . 1 1 10 10 ARG C C 10 175.925 175.925 175.228 0.697 18714 4896 1 13 . 1 1 10 10 ARG CA C 10 55.824 55.824 56.692 -0.868 18714 4897 1 13 . 1 1 10 10 ARG CB C 10 30.482 30.482 27.224 3.259 18714 4898 1 13 . 1 1 10 10 ARG H H 10 8.407 8.407 8.268 0.139 18714 4899 1 13 . 1 1 11 11 ALA N N 11 124.966 124.966 122.839 2.127 18714 4900 1 13 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.288 -0.015 18714 4901 1 13 . 1 1 11 11 ALA C C 11 177.715 177.715 177.575 0.140 18714 4902 1 13 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.019 0.506 18714 4903 1 13 . 1 1 11 11 ALA CB C 11 19.094 19.094 19.075 0.019 18714 4904 1 13 . 1 1 11 11 ALA H H 11 8.257 8.257 7.293 0.964 18714 4905 1 13 . 1 1 12 12 LYS N N 12 120.850 120.850 126.219 -5.369 18714 4906 1 13 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.216 0.109 18714 4907 1 13 . 1 1 12 12 LYS C C 12 176.655 176.655 175.329 1.326 18714 4908 1 13 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.325 -0.211 18714 4909 1 13 . 1 1 12 12 LYS CB C 12 32.985 32.985 31.921 1.064 18714 4910 1 13 . 1 1 12 12 LYS H H 12 8.217 8.217 8.667 -0.450 18714 4911 1 13 . 1 1 13 13 LYS N N 13 122.258 122.258 123.205 -0.947 18714 4912 1 13 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.852 -0.244 18714 4913 1 13 . 1 1 13 13 LYS C C 13 177.005 177.005 176.229 0.776 18714 4914 1 13 . 1 1 13 13 LYS CA C 13 55.875 55.875 54.473 1.402 18714 4915 1 13 . 1 1 13 13 LYS CB C 13 33.731 33.731 33.022 0.709 18714 4916 1 13 . 1 1 13 13 LYS H H 13 8.317 8.317 7.868 0.449 18714 4917 1 13 . 1 1 14 14 THR N N 14 113.409 113.409 116.825 -3.416 18714 4918 1 13 . 1 1 14 14 THR HA H 14 4.387 4.387 4.492 -0.105 18714 4919 1 13 . 1 1 14 14 THR C C 14 175.215 175.215 175.443 -0.228 18714 4920 1 13 . 1 1 14 14 THR CA C 14 61.057 61.057 61.566 -0.509 18714 4921 1 13 . 1 1 14 14 THR CB C 14 70.754 70.754 70.793 -0.039 18714 4922 1 13 . 1 1 14 14 THR H H 14 8.747 8.747 8.808 -0.061 18714 4923 1 13 . 1 1 15 15 LYS N N 15 120.711 120.711 120.600 0.111 18714 4924 1 13 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.028 -0.065 18714 4925 1 13 . 1 1 15 15 LYS C C 15 178.898 178.898 178.454 0.444 18714 4926 1 13 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.348 0.239 18714 4927 1 13 . 1 1 15 15 LYS CB C 15 32.016 32.016 31.800 0.216 18714 4928 1 13 . 1 1 15 15 LYS H H 15 8.804 8.804 8.754 0.050 18714 4929 1 13 . 1 1 16 16 GLU N N 16 119.447 119.447 119.817 -0.370 18714 4930 1 13 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.097 -0.054 18714 4931 1 13 . 1 1 16 16 GLU C C 16 179.536 179.536 178.818 0.718 18714 4932 1 13 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.459 0.652 18714 4933 1 13 . 1 1 16 16 GLU CB C 16 28.697 28.697 28.860 -0.163 18714 4934 1 13 . 1 1 16 16 GLU H H 16 8.715 8.715 8.061 0.654 18714 4935 1 13 . 1 1 17 17 GLN N N 17 119.610 119.610 119.773 -0.163 18714 4936 1 13 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.873 -0.012 18714 4937 1 13 . 1 1 17 17 GLN C C 17 177.725 177.725 178.321 -0.596 18714 4938 1 13 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.946 -0.061 18714 4939 1 13 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.841 -0.140 18714 4940 1 13 . 1 1 17 17 GLN H H 17 7.811 7.811 7.534 0.277 18714 4941 1 13 . 1 1 18 18 LEU N N 18 116.893 116.893 119.577 -2.684 18714 4942 1 13 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.500 0.084 18714 4943 1 13 . 1 1 18 18 LEU C C 18 178.250 178.250 178.775 -0.525 18714 4944 1 13 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.868 -0.640 18714 4945 1 13 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.439 0.224 18714 4946 1 13 . 1 1 18 18 LEU H H 18 8.190 8.190 8.334 -0.144 18714 4947 1 13 . 1 1 19 19 ALA N N 19 120.561 120.561 120.917 -0.356 18714 4948 1 13 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.874 0.113 18714 4949 1 13 . 1 1 19 19 ALA C C 19 180.071 180.071 179.868 0.203 18714 4950 1 13 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.267 -0.136 18714 4951 1 13 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.940 -0.019 18714 4952 1 13 . 1 1 19 19 ALA H H 19 8.013 8.013 7.581 0.432 18714 4953 1 13 . 1 1 20 20 GLU N N 20 115.648 115.648 117.928 -2.280 18714 4954 1 13 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.076 -0.039 18714 4955 1 13 . 1 1 20 20 GLU C C 20 179.526 179.526 179.227 0.299 18714 4956 1 13 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.662 -0.718 18714 4957 1 13 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.325 -0.465 18714 4958 1 13 . 1 1 20 20 GLU H H 20 7.165 7.165 7.594 -0.429 18714 4959 1 13 . 1 1 21 21 LEU N N 21 120.140 120.140 120.089 0.051 18714 4960 1 13 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.821 -0.263 18714 4961 1 13 . 1 1 21 21 LEU C C 21 177.344 177.344 178.678 -1.334 18714 4962 1 13 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.154 0.756 18714 4963 1 13 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.592 -2.760 18714 4964 1 13 . 1 1 21 21 LEU H H 21 7.428 7.428 7.842 -0.414 18714 4965 1 13 . 1 1 22 22 LYS N N 22 117.352 117.352 119.919 -2.567 18714 4966 1 13 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.216 -0.240 18714 4967 1 13 . 1 1 22 22 LYS C C 22 178.805 178.805 179.232 -0.427 18714 4968 1 13 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.694 0.588 18714 4969 1 13 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.337 -0.164 18714 4970 1 13 . 1 1 22 22 LYS H H 22 8.021 8.021 7.736 0.285 18714 4971 1 13 . 1 1 23 23 VAL N N 23 117.470 117.470 119.625 -2.155 18714 4972 1 13 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.763 -0.066 18714 4973 1 13 . 1 1 23 23 VAL C C 23 178.291 178.291 178.306 -0.015 18714 4974 1 13 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.387 0.034 18714 4975 1 13 . 1 1 23 23 VAL CB C 23 31.710 31.710 31.048 0.662 18714 4976 1 13 . 1 1 23 23 VAL H H 23 7.618 7.618 7.786 -0.168 18714 4977 1 13 . 1 1 24 24 SER N N 24 113.371 113.371 114.915 -1.544 18714 4978 1 13 . 1 1 24 24 SER HA H 24 4.247 4.247 4.330 -0.083 18714 4979 1 13 . 1 1 24 24 SER C C 24 177.015 177.015 176.678 0.337 18714 4980 1 13 . 1 1 24 24 SER CA C 24 61.550 61.550 60.774 0.776 18714 4981 1 13 . 1 1 24 24 SER CB C 24 62.987 62.987 63.107 -0.120 18714 4982 1 13 . 1 1 24 24 SER H H 24 7.340 7.340 7.877 -0.537 18714 4983 1 13 . 1 1 25 25 TYR N N 25 120.532 120.532 122.735 -2.203 18714 4984 1 13 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.956 -0.704 18714 4985 1 13 . 1 1 25 25 TYR C C 25 176.470 176.470 176.571 -0.101 18714 4986 1 13 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.297 0.498 18714 4987 1 13 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.692 -0.081 18714 4988 1 13 . 1 1 25 25 TYR H H 25 8.888 8.888 7.981 0.907 18714 4989 1 13 . 1 1 26 26 LEU N N 26 115.079 115.079 115.317 -0.238 18714 4990 1 13 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.991 0.044 18714 4991 1 13 . 1 1 26 26 LEU C C 26 179.021 179.021 178.696 0.325 18714 4992 1 13 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.837 0.013 18714 4993 1 13 . 1 1 26 26 LEU CB C 26 41.983 41.983 42.003 -0.020 18714 4994 1 13 . 1 1 26 26 LEU H H 26 7.953 7.953 7.800 0.153 18714 4995 1 13 . 1 1 27 27 LYS N N 27 119.058 119.058 117.118 1.940 18714 4996 1 13 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.253 -0.084 18714 4997 1 13 . 1 1 27 27 LYS C C 27 177.375 177.375 176.472 0.903 18714 4998 1 13 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.747 0.754 18714 4999 1 13 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.644 -1.011 18714 5000 1 13 . 1 1 27 27 LYS H H 27 7.503 7.503 7.746 -0.243 18714 5001 1 13 . 1 1 28 28 ASN N N 28 116.296 116.296 117.325 -1.029 18714 5002 1 13 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.883 -0.363 18714 5003 1 13 . 1 1 28 28 ASN C C 28 174.134 174.134 174.894 -0.760 18714 5004 1 13 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.584 1.121 18714 5005 1 13 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.947 -0.581 18714 5006 1 13 . 1 1 28 28 ASN H H 28 8.163 8.163 8.105 0.058 18714 5007 1 13 . 1 1 29 29 GLN N N 29 123.819 123.819 121.394 2.425 18714 5008 1 13 . 1 1 29 29 GLN HA H 29 3.850 3.850 4.115 -0.265 18714 5009 1 13 . 1 1 29 29 GLN C C 29 173.785 173.785 174.824 -1.039 18714 5010 1 13 . 1 1 29 29 GLN CA C 29 57.602 57.602 58.161 -0.559 18714 5011 1 13 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.628 -0.398 18714 5012 1 13 . 1 1 29 29 GLN H H 29 8.560 8.560 8.472 0.088 18714 5013 1 13 . 1 1 30 30 PHE N N 30 116.997 116.997 116.291 0.706 18714 5014 1 13 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.699 0.043 18714 5015 1 13 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.775 -1.305 18714 5016 1 13 . 1 1 30 30 PHE CB C 30 39.136 39.136 38.747 0.389 18714 5017 1 13 . 1 1 30 30 PHE H H 30 8.014 8.014 7.711 0.303 18714 5018 1 13 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.194 -0.215 18714 5019 1 13 . 1 1 31 31 PRO C C 31 177.285 177.285 175.733 1.552 18714 5020 1 13 . 1 1 31 31 PRO CA C 31 62.264 62.264 61.966 0.298 18714 5021 1 13 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.203 -1.426 18714 5022 1 13 . 1 1 32 32 HIS N N 32 120.779 120.779 121.304 -0.525 18714 5023 1 13 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.648 -0.073 18714 5024 1 13 . 1 1 32 32 HIS C C 32 176.601 176.601 175.510 1.091 18714 5025 1 13 . 1 1 32 32 HIS CA C 32 55.416 55.416 58.005 -2.589 18714 5026 1 13 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.443 0.953 18714 5027 1 13 . 1 1 32 32 HIS H H 32 8.401 8.401 8.440 -0.039 18714 5028 1 13 . 1 1 33 33 ASP N N 33 124.390 124.390 117.116 7.274 18714 5029 1 13 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.750 -0.474 18714 5030 1 13 . 1 1 33 33 ASP C C 33 178.064 178.064 178.014 0.050 18714 5031 1 13 . 1 1 33 33 ASP CA C 33 58.486 58.486 55.668 2.818 18714 5032 1 13 . 1 1 33 33 ASP CB C 33 40.451 40.451 42.448 -1.997 18714 5033 1 13 . 1 1 33 33 ASP H H 33 8.691 8.691 8.348 0.343 18714 5034 1 13 . 1 1 34 34 SER N N 34 114.256 114.256 117.466 -3.210 18714 5035 1 13 . 1 1 34 34 SER HA H 34 4.109 4.109 4.149 -0.040 18714 5036 1 13 . 1 1 34 34 SER C C 34 176.645 176.645 176.269 0.376 18714 5037 1 13 . 1 1 34 34 SER CA C 34 60.282 60.282 62.259 -1.977 18714 5038 1 13 . 1 1 34 34 SER CB C 34 61.931 61.931 63.076 -1.145 18714 5039 1 13 . 1 1 34 34 SER H H 34 9.494 9.494 8.642 0.852 18714 5040 1 13 . 1 1 35 35 GLU N N 35 126.075 126.075 121.517 4.558 18714 5041 1 13 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.098 0.805 18714 5042 1 13 . 1 1 35 35 GLU C C 35 177.715 177.715 178.471 -0.756 18714 5043 1 13 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.118 -2.234 18714 5044 1 13 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.366 -0.845 18714 5045 1 13 . 1 1 35 35 GLU H H 35 7.493 7.493 8.607 -1.114 18714 5046 1 13 . 1 1 36 36 ILE N N 36 120.906 120.906 119.149 1.757 18714 5047 1 13 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.810 -0.207 18714 5048 1 13 . 1 1 36 36 ILE C C 36 177.725 177.725 178.255 -0.530 18714 5049 1 13 . 1 1 36 36 ILE CA C 36 64.945 64.945 64.339 0.606 18714 5050 1 13 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.787 -1.914 18714 5051 1 13 . 1 1 36 36 ILE H H 36 7.697 7.697 7.232 0.465 18714 5052 1 13 . 1 1 37 37 ILE N N 37 119.451 119.451 120.616 -1.165 18714 5053 1 13 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.591 0.368 18714 5054 1 13 . 1 1 37 37 ILE C C 37 178.085 178.085 177.933 0.152 18714 5055 1 13 . 1 1 37 37 ILE CA C 37 64.734 64.734 65.586 -0.852 18714 5056 1 13 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.533 0.247 18714 5057 1 13 . 1 1 37 37 ILE H H 37 8.229 8.229 8.178 0.051 18714 5058 1 13 . 1 1 38 38 ARG N N 38 122.344 122.344 120.032 2.312 18714 5059 1 13 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.091 -0.123 18714 5060 1 13 . 1 1 38 38 ARG C C 38 179.165 179.165 178.645 0.520 18714 5061 1 13 . 1 1 38 38 ARG CA C 38 59.921 59.921 58.444 1.477 18714 5062 1 13 . 1 1 38 38 ARG CB C 38 30.663 30.663 29.576 1.087 18714 5063 1 13 . 1 1 38 38 ARG H H 38 7.664 7.664 7.555 0.109 18714 5064 1 13 . 1 1 39 39 LEU N N 39 117.479 117.479 120.086 -2.607 18714 5065 1 13 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.932 0.094 18714 5066 1 13 . 1 1 39 39 LEU C C 39 181.316 181.316 179.167 2.149 18714 5067 1 13 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.915 -0.335 18714 5068 1 13 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.680 1.704 18714 5069 1 13 . 1 1 39 39 LEU H H 39 8.629 8.629 8.086 0.543 18714 5070 1 13 . 1 1 40 40 MET N N 40 126.468 126.468 117.536 8.932 18714 5071 1 13 . 1 1 40 40 MET HA H 40 3.957 3.957 4.206 -0.249 18714 5072 1 13 . 1 1 40 40 MET C C 40 178.466 178.466 178.484 -0.018 18714 5073 1 13 . 1 1 40 40 MET CA C 40 60.109 60.109 59.029 1.080 18714 5074 1 13 . 1 1 40 40 MET CB C 40 34.065 34.065 32.501 1.564 18714 5075 1 13 . 1 1 40 40 MET H H 40 9.112 9.112 8.170 0.942 18714 5076 1 13 . 1 1 41 41 LYS N N 41 119.282 119.282 118.534 0.748 18714 5077 1 13 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.084 -0.044 18714 5078 1 13 . 1 1 41 41 LYS C C 41 178.805 178.805 178.664 0.141 18714 5079 1 13 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.752 0.463 18714 5080 1 13 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.370 -0.243 18714 5081 1 13 . 1 1 41 41 LYS H H 41 7.721 7.721 7.497 0.224 18714 5082 1 13 . 1 1 42 42 ILE N N 42 114.582 114.582 117.841 -3.259 18714 5083 1 13 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.037 0.113 18714 5084 1 13 . 1 1 42 42 ILE C C 42 177.365 177.365 177.968 -0.603 18714 5085 1 13 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.199 -0.482 18714 5086 1 13 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.796 1.034 18714 5087 1 13 . 1 1 42 42 ILE H H 42 7.804 7.804 7.909 -0.105 18714 5088 1 13 . 1 1 43 43 THR N N 43 107.511 107.511 111.114 -3.603 18714 5089 1 13 . 1 1 43 43 THR HA H 43 4.536 4.536 4.112 0.424 18714 5090 1 13 . 1 1 43 43 THR C C 43 176.120 176.120 175.609 0.511 18714 5091 1 13 . 1 1 43 43 THR CA C 43 63.136 63.136 64.341 -1.205 18714 5092 1 13 . 1 1 43 43 THR CB C 43 72.060 72.060 69.695 2.365 18714 5093 1 13 . 1 1 43 43 THR H H 43 8.313 8.313 8.303 0.010 18714 5094 1 13 . 1 1 44 44 GLY N N 44 111.235 111.235 109.473 1.762 18714 5095 1 13 . 1 1 44 44 GLY C C 44 174.134 174.134 174.597 -0.463 18714 5096 1 13 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.846 0.959 18714 5097 1 13 . 1 1 44 44 GLY H H 44 8.055 8.055 7.827 0.228 18714 5098 1 13 . 1 1 45 45 LEU N N 45 120.586 120.586 121.139 -0.553 18714 5099 1 13 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.615 -0.110 18714 5100 1 13 . 1 1 45 45 LEU C C 45 176.634 176.634 177.106 -0.472 18714 5101 1 13 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.470 -0.713 18714 5102 1 13 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.655 0.651 18714 5103 1 13 . 1 1 45 45 LEU H H 45 7.708 7.708 7.654 0.054 18714 5104 1 13 . 1 1 46 46 THR N N 46 109.308 109.308 105.917 3.391 18714 5105 1 13 . 1 1 46 46 THR HA H 46 4.325 4.325 4.622 -0.297 18714 5106 1 13 . 1 1 46 46 THR C C 46 175.215 175.215 175.452 -0.237 18714 5107 1 13 . 1 1 46 46 THR CA C 46 60.914 60.914 59.816 1.098 18714 5108 1 13 . 1 1 46 46 THR CB C 46 71.237 71.237 71.020 0.216 18714 5109 1 13 . 1 1 46 46 THR H H 46 8.570 8.570 7.990 0.580 18714 5110 1 13 . 1 1 47 47 LYS N N 47 121.342 121.342 123.720 -2.378 18714 5111 1 13 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.964 -0.279 18714 5112 1 13 . 1 1 47 47 LYS C C 47 178.805 178.805 178.536 0.269 18714 5113 1 13 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.384 0.408 18714 5114 1 13 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.209 0.125 18714 5115 1 13 . 1 1 47 47 LYS H H 47 8.797 8.797 8.459 0.338 18714 5116 1 13 . 1 1 48 48 GLY N N 48 104.143 104.143 105.701 -1.558 18714 5117 1 13 . 1 1 48 48 GLY C C 48 177.149 177.149 176.124 1.025 18714 5118 1 13 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.655 0.234 18714 5119 1 13 . 1 1 48 48 GLY H H 48 8.715 8.715 8.512 0.203 18714 5120 1 13 . 1 1 49 49 GLU N N 49 121.943 121.943 122.388 -0.445 18714 5121 1 13 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.172 -0.082 18714 5122 1 13 . 1 1 49 49 GLU C C 49 179.886 179.886 178.927 0.959 18714 5123 1 13 . 1 1 49 49 GLU CA C 49 59.183 59.183 58.782 0.401 18714 5124 1 13 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.599 1.091 18714 5125 1 13 . 1 1 49 49 GLU H H 49 7.851 7.851 7.689 0.162 18714 5126 1 13 . 1 1 50 50 ILE N N 50 121.748 121.748 120.065 1.683 18714 5127 1 13 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.699 0.061 18714 5128 1 13 . 1 1 50 50 ILE C C 50 177.735 177.735 178.193 -0.458 18714 5129 1 13 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.457 0.661 18714 5130 1 13 . 1 1 50 50 ILE CB C 50 38.112 38.112 38.005 0.107 18714 5131 1 13 . 1 1 50 50 ILE H H 50 8.224 8.224 8.272 -0.048 18714 5132 1 13 . 1 1 51 51 LYS N N 51 119.119 119.119 119.106 0.013 18714 5133 1 13 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.164 -0.103 18714 5134 1 13 . 1 1 51 51 LYS C C 51 179.526 179.526 179.116 0.410 18714 5135 1 13 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.866 1.254 18714 5136 1 13 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.161 -0.265 18714 5137 1 13 . 1 1 51 51 LYS H H 51 8.842 8.842 7.827 1.015 18714 5138 1 13 . 1 1 52 52 LYS N N 52 120.252 120.252 119.477 0.775 18714 5139 1 13 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.102 0.092 18714 5140 1 13 . 1 1 52 52 LYS C C 52 176.830 176.830 178.489 -1.659 18714 5141 1 13 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.372 -0.622 18714 5142 1 13 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.146 0.241 18714 5143 1 13 . 1 1 52 52 LYS H H 52 8.208 8.208 7.706 0.502 18714 5144 1 13 . 1 1 53 53 TRP N N 53 120.333 120.333 122.853 -2.520 18714 5145 1 13 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.314 -0.125 18714 5146 1 13 . 1 1 53 53 TRP C C 53 180.266 180.266 178.057 2.209 18714 5147 1 13 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.072 1.647 18714 5148 1 13 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.338 -1.184 18714 5149 1 13 . 1 1 53 53 TRP H H 53 8.132 8.132 7.712 0.420 18714 5150 1 13 . 1 1 54 54 PHE N N 54 120.742 120.742 116.779 3.963 18714 5151 1 13 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.868 -0.154 18714 5152 1 13 . 1 1 54 54 PHE C C 54 177.488 177.488 178.002 -0.514 18714 5153 1 13 . 1 1 54 54 PHE CA C 54 63.893 63.893 61.882 2.011 18714 5154 1 13 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.538 0.864 18714 5155 1 13 . 1 1 54 54 PHE H H 54 8.903 8.903 8.167 0.736 18714 5156 1 13 . 1 1 55 55 SER N N 55 113.136 113.136 115.511 -2.375 18714 5157 1 13 . 1 1 55 55 SER HA H 55 4.063 4.063 4.227 -0.164 18714 5158 1 13 . 1 1 55 55 SER C C 55 177.571 177.571 176.553 1.018 18714 5159 1 13 . 1 1 55 55 SER CA C 55 62.419 62.419 62.381 0.038 18714 5160 1 13 . 1 1 55 55 SER CB C 55 62.673 62.673 62.792 -0.119 18714 5161 1 13 . 1 1 55 55 SER H H 55 8.136 8.136 7.929 0.207 18714 5162 1 13 . 1 1 56 56 ASP N N 56 122.871 122.871 122.180 0.691 18714 5163 1 13 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.466 -0.168 18714 5164 1 13 . 1 1 56 56 ASP C C 56 178.085 178.085 178.377 -0.292 18714 5165 1 13 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.347 -0.384 18714 5166 1 13 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.425 -0.704 18714 5167 1 13 . 1 1 56 56 ASP H H 56 9.091 9.091 8.071 1.020 18714 5168 1 13 . 1 1 57 57 THR N N 57 118.957 118.957 116.359 2.598 18714 5169 1 13 . 1 1 57 57 THR HA H 57 3.335 3.335 3.692 -0.357 18714 5170 1 13 . 1 1 57 57 THR C C 57 175.925 175.925 176.244 -0.319 18714 5171 1 13 . 1 1 57 57 THR CA C 57 67.064 67.064 65.974 1.090 18714 5172 1 13 . 1 1 57 57 THR CB C 57 67.387 67.387 67.790 -0.403 18714 5173 1 13 . 1 1 57 57 THR H H 57 7.926 7.926 7.996 -0.070 18714 5174 1 13 . 1 1 58 58 ARG N N 58 120.980 120.980 121.097 -0.117 18714 5175 1 13 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.199 0.002 18714 5176 1 13 . 1 1 58 58 ARG C C 58 179.536 179.536 178.331 1.205 18714 5177 1 13 . 1 1 58 58 ARG CA C 58 59.976 59.976 57.629 2.347 18714 5178 1 13 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.595 1.799 18714 5179 1 13 . 1 1 58 58 ARG H H 58 8.139 8.139 7.580 0.559 18714 5180 1 13 . 1 1 59 59 TYR N N 59 119.449 119.449 121.880 -2.431 18714 5181 1 13 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.163 -0.019 18714 5182 1 13 . 1 1 59 59 TYR C C 59 178.075 178.075 177.802 0.273 18714 5183 1 13 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.374 -0.055 18714 5184 1 13 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.489 -0.487 18714 5185 1 13 . 1 1 59 59 TYR H H 59 8.004 8.004 8.020 -0.016 18714 5186 1 13 . 1 1 60 60 ASN N N 60 118.169 118.169 116.803 1.366 18714 5187 1 13 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.572 -0.218 18714 5188 1 13 . 1 1 60 60 ASN C C 60 177.005 177.005 176.750 0.255 18714 5189 1 13 . 1 1 60 60 ASN CA C 60 55.160 55.160 54.924 0.236 18714 5190 1 13 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.156 0.136 18714 5191 1 13 . 1 1 60 60 ASN H H 60 8.354 8.354 8.220 0.134 18714 5192 1 13 . 1 1 61 61 GLN N N 61 118.671 118.671 119.771 -1.100 18714 5193 1 13 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.126 0.015 18714 5194 1 13 . 1 1 61 61 GLN C C 61 177.046 177.046 176.660 0.386 18714 5195 1 13 . 1 1 61 61 GLN CA C 61 57.217 57.217 58.148 -0.931 18714 5196 1 13 . 1 1 61 61 GLN CB C 61 28.466 28.466 29.251 -0.785 18714 5197 1 13 . 1 1 61 61 GLN H H 61 7.971 7.971 7.836 0.135 18714 5198 1 13 . 1 1 62 62 ARG N N 62 119.140 119.140 114.968 4.172 18714 5199 1 13 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.471 -0.282 18714 5200 1 13 . 1 1 62 62 ARG C C 62 176.655 176.655 176.295 0.360 18714 5201 1 13 . 1 1 62 62 ARG CA C 62 57.462 57.462 55.644 1.818 18714 5202 1 13 . 1 1 62 62 ARG CB C 62 29.896 29.896 31.478 -1.582 18714 5203 1 13 . 1 1 62 62 ARG H H 62 7.690 7.690 7.579 0.111 18714 5204 1 13 . 1 1 63 63 ASN N N 63 117.472 117.472 118.048 -0.576 18714 5205 1 13 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.727 0.007 18714 5206 1 13 . 1 1 63 63 ASN C C 63 175.194 175.194 173.569 1.625 18714 5207 1 13 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.271 0.870 18714 5208 1 13 . 1 1 63 63 ASN CB C 63 38.875 38.875 40.992 -2.117 18714 5209 1 13 . 1 1 63 63 ASN H H 63 8.003 8.003 7.576 0.427 18714 5210 1 13 . 1 1 64 64 SER N N 64 115.768 115.768 117.852 -2.084 18714 5211 1 13 . 1 1 64 64 SER HA H 64 4.402 4.402 4.478 -0.076 18714 5212 1 13 . 1 1 64 64 SER C C 64 174.721 174.721 173.919 0.802 18714 5213 1 13 . 1 1 64 64 SER CA C 64 58.758 58.758 58.454 0.304 18714 5214 1 13 . 1 1 64 64 SER CB C 64 63.620 63.620 64.306 -0.686 18714 5215 1 13 . 1 1 64 64 SER H H 64 7.942 7.942 8.281 -0.339 18714 5216 1 13 . 1 1 65 65 LYS N N 65 122.579 122.579 120.167 2.412 18714 5217 1 13 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.118 0.192 18714 5218 1 13 . 1 1 65 65 LYS C C 65 176.665 176.665 175.324 1.341 18714 5219 1 13 . 1 1 65 65 LYS CA C 65 56.366 56.366 56.895 -0.529 18714 5220 1 13 . 1 1 65 65 LYS CB C 65 33.054 33.054 32.332 0.722 18714 5221 1 13 . 1 1 65 65 LYS H H 65 8.319 8.319 8.058 0.261 18714 5222 1 13 . 1 1 66 66 SER N N 66 115.560 115.560 117.342 -1.782 18714 5223 1 13 . 1 1 66 66 SER HA H 66 4.425 4.425 4.611 -0.186 18714 5224 1 13 . 1 1 66 66 SER CA C 66 58.577 58.577 57.846 0.731 18714 5225 1 13 . 1 1 66 66 SER CB C 66 63.670 63.670 62.537 1.133 18714 5226 1 13 . 1 1 66 66 SER H H 66 8.184 8.184 8.365 -0.181 18714 5227 1 13 . 1 1 67 67 ASN HA H 67 4.703 4.703 5.101 -0.398 18714 5228 1 13 . 1 1 67 67 ASN C C 67 175.196 175.196 174.145 1.051 18714 5229 1 13 . 1 1 67 67 ASN CA C 67 53.417 53.417 52.991 0.426 18714 5230 1 13 . 1 1 67 67 ASN CB C 67 38.593 38.593 40.447 -1.854 18714 5231 1 13 . 1 1 68 68 GLN N N 68 120.106 120.106 120.543 -0.437 18714 5232 1 13 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.634 -0.331 18714 5233 1 13 . 1 1 68 68 GLN C C 68 175.708 175.708 175.087 0.621 18714 5234 1 13 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.057 1.115 18714 5235 1 13 . 1 1 68 68 GLN CB C 68 29.172 29.172 29.891 -0.719 18714 5236 1 13 . 1 1 68 68 GLN H H 68 8.283 8.283 8.589 -0.306 18714 5237 1 13 . 1 1 69 69 CYS N N 69 119.599 119.599 121.743 -2.144 18714 5238 1 13 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.394 0.010 18714 5239 1 13 . 1 1 69 69 CYS C C 69 174.412 174.412 174.748 -0.336 18714 5240 1 13 . 1 1 69 69 CYS CA C 69 58.693 58.693 58.836 -0.143 18714 5241 1 13 . 1 1 69 69 CYS CB C 69 27.610 27.610 27.396 0.214 18714 5242 1 13 . 1 1 69 69 CYS H H 69 8.313 8.313 8.450 -0.137 18714 5243 1 13 . 1 1 70 70 LEU N N 70 123.832 123.832 129.191 -5.359 18714 5244 1 13 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.325 -0.058 18714 5245 1 13 . 1 1 70 70 LEU C C 70 176.645 176.645 175.969 0.676 18714 5246 1 13 . 1 1 70 70 LEU CA C 70 55.283 55.283 55.192 0.091 18714 5247 1 13 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.524 -0.265 18714 5248 1 13 . 1 1 70 70 LEU H H 70 8.201 8.201 8.442 -0.241 18714 5249 1 13 . 1 1 71 71 HIS N N 71 119.423 119.423 126.775 -7.352 18714 5250 1 13 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.799 -0.151 18714 5251 1 13 . 1 1 71 71 HIS C C 71 174.494 174.494 174.347 0.147 18714 5252 1 13 . 1 1 71 71 HIS CA C 71 55.424 55.424 55.509 -0.085 18714 5253 1 13 . 1 1 71 71 HIS CB C 71 29.687 29.687 30.266 -0.579 18714 5254 1 13 . 1 1 71 71 HIS H H 71 8.308 8.308 8.623 -0.315 18714 5255 1 13 . 1 1 72 72 LEU N N 72 122.990 122.990 128.413 -5.423 18714 5256 1 13 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.515 -0.182 18714 5257 1 13 . 1 1 72 72 LEU C C 72 176.645 176.645 175.893 0.752 18714 5258 1 13 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.485 0.496 18714 5259 1 13 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.148 0.034 18714 5260 1 13 . 1 1 72 72 LEU H H 72 8.146 8.146 8.443 -0.297 18714 5261 1 13 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.746 -0.013 18714 5262 1 13 . 1 1 73 73 ASN C C 73 173.774 173.774 173.994 -0.220 18714 5263 1 13 . 1 1 73 73 ASN CA C 73 53.033 53.033 52.619 0.414 18714 5264 1 13 . 1 1 73 73 ASN CB C 73 38.928 38.928 40.005 -1.077 18714 5265 1 13 . 1 1 73 73 ASN H H 73 8.428 8.428 8.565 -0.137 18714 5266 1 14 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.608 -0.224 18714 5267 1 14 . 1 1 4 4 PRO C C 4 176.388 176.388 176.144 0.244 18714 5268 1 14 . 1 1 4 4 PRO CA C 4 63.097 63.097 61.891 1.206 18714 5269 1 14 . 1 1 4 4 PRO CB C 4 32.056 32.056 32.432 -0.376 18714 5270 1 14 . 1 1 5 5 ASP N N 5 120.482 120.482 120.825 -0.343 18714 5271 1 14 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.690 -0.146 18714 5272 1 14 . 1 1 5 5 ASP C C 5 176.336 176.336 176.339 -0.003 18714 5273 1 14 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.324 -0.002 18714 5274 1 14 . 1 1 5 5 ASP CB C 5 41.006 41.006 41.022 -0.016 18714 5275 1 14 . 1 1 5 5 ASP H H 5 8.415 8.415 8.322 0.093 18714 5276 1 14 . 1 1 6 6 SER N N 6 115.481 115.481 118.850 -3.369 18714 5277 1 14 . 1 1 6 6 SER HA H 6 4.326 4.326 4.126 0.200 18714 5278 1 14 . 1 1 6 6 SER C C 6 174.494 174.494 174.019 0.475 18714 5279 1 14 . 1 1 6 6 SER CA C 6 58.559 58.559 59.431 -0.872 18714 5280 1 14 . 1 1 6 6 SER CB C 6 63.461 63.461 63.711 -0.250 18714 5281 1 14 . 1 1 6 6 SER H H 6 8.146 8.146 8.683 -0.537 18714 5282 1 14 . 1 1 7 7 PHE N N 7 121.475 121.475 120.371 1.104 18714 5283 1 14 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.626 -0.067 18714 5284 1 14 . 1 1 7 7 PHE C C 7 176.285 176.285 174.975 1.310 18714 5285 1 14 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.955 0.273 18714 5286 1 14 . 1 1 7 7 PHE CB C 7 39.213 39.213 41.054 -1.841 18714 5287 1 14 . 1 1 7 7 PHE H H 7 8.236 8.236 7.790 0.446 18714 5288 1 14 . 1 1 8 8 GLY N N 8 109.715 109.715 112.406 -2.691 18714 5289 1 14 . 1 1 8 8 GLY C C 8 174.124 174.124 174.067 0.057 18714 5290 1 14 . 1 1 8 8 GLY CA C 8 45.366 45.366 45.226 0.140 18714 5291 1 14 . 1 1 8 8 GLY H H 8 8.256 8.256 8.508 -0.252 18714 5292 1 14 . 1 1 9 9 ILE N N 9 120.361 120.361 121.671 -1.310 18714 5293 1 14 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.329 -0.217 18714 5294 1 14 . 1 1 9 9 ILE C C 9 176.429 176.429 175.956 0.473 18714 5295 1 14 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.283 0.170 18714 5296 1 14 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.739 0.647 18714 5297 1 14 . 1 1 9 9 ILE H H 9 7.975 7.975 8.225 -0.250 18714 5298 1 14 . 1 1 10 10 ARG N N 10 124.698 124.698 128.234 -3.536 18714 5299 1 14 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.555 -0.229 18714 5300 1 14 . 1 1 10 10 ARG C C 10 175.925 175.925 175.915 0.010 18714 5301 1 14 . 1 1 10 10 ARG CA C 10 55.824 55.824 55.884 -0.060 18714 5302 1 14 . 1 1 10 10 ARG CB C 10 30.482 30.482 31.019 -0.537 18714 5303 1 14 . 1 1 10 10 ARG H H 10 8.407 8.407 8.697 -0.290 18714 5304 1 14 . 1 1 11 11 ALA N N 11 124.966 124.966 120.713 4.253 18714 5305 1 14 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.082 0.191 18714 5306 1 14 . 1 1 11 11 ALA C C 11 177.715 177.715 177.315 0.400 18714 5307 1 14 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.804 -0.279 18714 5308 1 14 . 1 1 11 11 ALA CB C 11 19.094 19.094 17.717 1.377 18714 5309 1 14 . 1 1 11 11 ALA H H 11 8.257 8.257 8.197 0.059 18714 5310 1 14 . 1 1 12 12 LYS N N 12 120.850 120.850 117.991 2.859 18714 5311 1 14 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.141 0.184 18714 5312 1 14 . 1 1 12 12 LYS C C 12 176.655 176.655 176.899 -0.244 18714 5313 1 14 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.064 0.050 18714 5314 1 14 . 1 1 12 12 LYS CB C 12 32.985 32.985 32.810 0.175 18714 5315 1 14 . 1 1 12 12 LYS H H 12 8.217 8.217 8.145 0.072 18714 5316 1 14 . 1 1 13 13 LYS N N 13 122.258 122.258 120.746 1.512 18714 5317 1 14 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.329 0.279 18714 5318 1 14 . 1 1 13 13 LYS C C 13 177.005 177.005 177.089 -0.084 18714 5319 1 14 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.952 -1.077 18714 5320 1 14 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.392 2.339 18714 5321 1 14 . 1 1 13 13 LYS H H 13 8.317 8.317 7.610 0.707 18714 5322 1 14 . 1 1 14 14 THR N N 14 113.409 113.409 118.352 -4.943 18714 5323 1 14 . 1 1 14 14 THR HA H 14 4.387 4.387 4.469 -0.082 18714 5324 1 14 . 1 1 14 14 THR C C 14 175.215 175.215 175.468 -0.253 18714 5325 1 14 . 1 1 14 14 THR CA C 14 61.057 61.057 61.025 0.032 18714 5326 1 14 . 1 1 14 14 THR CB C 14 70.754 70.754 70.926 -0.172 18714 5327 1 14 . 1 1 14 14 THR H H 14 8.747 8.747 8.809 -0.062 18714 5328 1 14 . 1 1 15 15 LYS N N 15 120.711 120.711 120.608 0.103 18714 5329 1 14 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.943 0.020 18714 5330 1 14 . 1 1 15 15 LYS C C 15 178.898 178.898 178.843 0.055 18714 5331 1 14 . 1 1 15 15 LYS CA C 15 59.587 59.587 60.706 -1.119 18714 5332 1 14 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.125 -0.109 18714 5333 1 14 . 1 1 15 15 LYS H H 15 8.804 8.804 8.667 0.137 18714 5334 1 14 . 1 1 16 16 GLU N N 16 119.447 119.447 117.637 1.810 18714 5335 1 14 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.027 0.016 18714 5336 1 14 . 1 1 16 16 GLU C C 16 179.536 179.536 178.984 0.552 18714 5337 1 14 . 1 1 16 16 GLU CA C 16 60.111 60.111 58.989 1.122 18714 5338 1 14 . 1 1 16 16 GLU CB C 16 28.697 28.697 28.826 -0.129 18714 5339 1 14 . 1 1 16 16 GLU H H 16 8.715 8.715 8.386 0.329 18714 5340 1 14 . 1 1 17 17 GLN N N 17 119.610 119.610 119.055 0.555 18714 5341 1 14 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.979 -0.118 18714 5342 1 14 . 1 1 17 17 GLN C C 17 177.725 177.725 178.429 -0.704 18714 5343 1 14 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.772 0.113 18714 5344 1 14 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.833 -0.132 18714 5345 1 14 . 1 1 17 17 GLN H H 17 7.811 7.811 7.408 0.403 18714 5346 1 14 . 1 1 18 18 LEU N N 18 116.893 116.893 119.652 -2.759 18714 5347 1 14 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.582 0.002 18714 5348 1 14 . 1 1 18 18 LEU C C 18 178.250 178.250 178.707 -0.457 18714 5349 1 14 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.312 -0.084 18714 5350 1 14 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.356 0.306 18714 5351 1 14 . 1 1 18 18 LEU H H 18 8.190 8.190 8.351 -0.161 18714 5352 1 14 . 1 1 19 19 ALA N N 19 120.561 120.561 121.920 -1.359 18714 5353 1 14 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.932 0.055 18714 5354 1 14 . 1 1 19 19 ALA C C 19 180.071 180.071 179.731 0.340 18714 5355 1 14 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.392 -0.262 18714 5356 1 14 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.908 0.013 18714 5357 1 14 . 1 1 19 19 ALA H H 19 8.013 8.013 7.924 0.089 18714 5358 1 14 . 1 1 20 20 GLU N N 20 115.648 115.648 118.449 -2.801 18714 5359 1 14 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.037 0.000 18714 5360 1 14 . 1 1 20 20 GLU C C 20 179.526 179.526 179.210 0.316 18714 5361 1 14 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.853 -0.909 18714 5362 1 14 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.310 -0.450 18714 5363 1 14 . 1 1 20 20 GLU H H 20 7.165 7.165 7.557 -0.392 18714 5364 1 14 . 1 1 21 21 LEU N N 21 120.140 120.140 120.053 0.087 18714 5365 1 14 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.787 -0.229 18714 5366 1 14 . 1 1 21 21 LEU C C 21 177.344 177.344 178.842 -1.498 18714 5367 1 14 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.438 0.472 18714 5368 1 14 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.679 -2.847 18714 5369 1 14 . 1 1 21 21 LEU H H 21 7.428 7.428 7.917 -0.489 18714 5370 1 14 . 1 1 22 22 LYS N N 22 117.352 117.352 119.384 -2.032 18714 5371 1 14 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.305 -0.329 18714 5372 1 14 . 1 1 22 22 LYS C C 22 178.805 178.805 179.280 -0.475 18714 5373 1 14 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.651 0.631 18714 5374 1 14 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.399 -0.225 18714 5375 1 14 . 1 1 22 22 LYS H H 22 8.021 8.021 7.794 0.227 18714 5376 1 14 . 1 1 23 23 VAL N N 23 117.470 117.470 120.034 -2.564 18714 5377 1 14 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.755 -0.058 18714 5378 1 14 . 1 1 23 23 VAL C C 23 178.291 178.291 178.146 0.145 18714 5379 1 14 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.479 -0.058 18714 5380 1 14 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.971 0.739 18714 5381 1 14 . 1 1 23 23 VAL H H 23 7.618 7.618 7.740 -0.122 18714 5382 1 14 . 1 1 24 24 SER N N 24 113.371 113.371 114.778 -1.407 18714 5383 1 14 . 1 1 24 24 SER HA H 24 4.247 4.247 4.282 -0.035 18714 5384 1 14 . 1 1 24 24 SER C C 24 177.015 177.015 176.760 0.255 18714 5385 1 14 . 1 1 24 24 SER CA C 24 61.550 61.550 61.556 -0.006 18714 5386 1 14 . 1 1 24 24 SER CB C 24 62.987 62.987 63.049 -0.062 18714 5387 1 14 . 1 1 24 24 SER H H 24 7.340 7.340 7.808 -0.468 18714 5388 1 14 . 1 1 25 25 TYR N N 25 120.532 120.532 123.014 -2.482 18714 5389 1 14 . 1 1 25 25 TYR HA H 25 4.252 4.252 5.012 -0.760 18714 5390 1 14 . 1 1 25 25 TYR C C 25 176.470 176.470 177.008 -0.538 18714 5391 1 14 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.197 0.598 18714 5392 1 14 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.715 -0.104 18714 5393 1 14 . 1 1 25 25 TYR H H 25 8.888 8.888 8.001 0.887 18714 5394 1 14 . 1 1 26 26 LEU N N 26 115.079 115.079 117.744 -2.665 18714 5395 1 14 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.965 0.070 18714 5396 1 14 . 1 1 26 26 LEU C C 26 179.021 179.021 178.401 0.620 18714 5397 1 14 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.826 0.024 18714 5398 1 14 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.973 0.010 18714 5399 1 14 . 1 1 26 26 LEU H H 26 7.953 7.953 8.064 -0.111 18714 5400 1 14 . 1 1 27 27 LYS N N 27 119.058 119.058 117.882 1.176 18714 5401 1 14 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.299 -0.130 18714 5402 1 14 . 1 1 27 27 LYS C C 27 177.375 177.375 176.902 0.473 18714 5403 1 14 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.508 0.993 18714 5404 1 14 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.608 -0.975 18714 5405 1 14 . 1 1 27 27 LYS H H 27 7.503 7.503 7.742 -0.239 18714 5406 1 14 . 1 1 28 28 ASN N N 28 116.296 116.296 118.989 -2.693 18714 5407 1 14 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.961 -0.441 18714 5408 1 14 . 1 1 28 28 ASN C C 28 174.134 174.134 174.921 -0.787 18714 5409 1 14 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.359 1.346 18714 5410 1 14 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.690 -0.324 18714 5411 1 14 . 1 1 28 28 ASN H H 28 8.163 8.163 8.396 -0.233 18714 5412 1 14 . 1 1 29 29 GLN N N 29 123.819 123.819 121.675 2.144 18714 5413 1 14 . 1 1 29 29 GLN HA H 29 3.850 3.850 4.109 -0.259 18714 5414 1 14 . 1 1 29 29 GLN C C 29 173.785 173.785 174.395 -0.610 18714 5415 1 14 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.961 -0.359 18714 5416 1 14 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.978 -0.748 18714 5417 1 14 . 1 1 29 29 GLN H H 29 8.560 8.560 8.517 0.043 18714 5418 1 14 . 1 1 30 30 PHE N N 30 116.997 116.997 115.846 1.151 18714 5419 1 14 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.711 0.031 18714 5420 1 14 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.882 -1.412 18714 5421 1 14 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.448 -0.312 18714 5422 1 14 . 1 1 30 30 PHE H H 30 8.014 8.014 7.669 0.345 18714 5423 1 14 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.447 -0.468 18714 5424 1 14 . 1 1 31 31 PRO C C 31 177.285 177.285 176.388 0.897 18714 5425 1 14 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.191 0.073 18714 5426 1 14 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.554 -1.777 18714 5427 1 14 . 1 1 32 32 HIS N N 32 120.779 120.779 120.835 -0.056 18714 5428 1 14 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.450 0.125 18714 5429 1 14 . 1 1 32 32 HIS C C 32 176.601 176.601 175.984 0.617 18714 5430 1 14 . 1 1 32 32 HIS CA C 32 55.416 55.416 58.899 -3.483 18714 5431 1 14 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.641 0.755 18714 5432 1 14 . 1 1 32 32 HIS H H 32 8.401 8.401 8.798 -0.397 18714 5433 1 14 . 1 1 33 33 ASP N N 33 124.390 124.390 115.289 9.101 18714 5434 1 14 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.694 -0.417 18714 5435 1 14 . 1 1 33 33 ASP C C 33 178.064 178.064 177.939 0.125 18714 5436 1 14 . 1 1 33 33 ASP CA C 33 58.486 58.486 55.698 2.788 18714 5437 1 14 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.779 -0.328 18714 5438 1 14 . 1 1 33 33 ASP H H 33 8.691 8.691 8.199 0.492 18714 5439 1 14 . 1 1 34 34 SER N N 34 114.256 114.256 118.151 -3.895 18714 5440 1 14 . 1 1 34 34 SER HA H 34 4.109 4.109 4.166 -0.057 18714 5441 1 14 . 1 1 34 34 SER C C 34 176.645 176.645 176.165 0.480 18714 5442 1 14 . 1 1 34 34 SER CA C 34 60.282 60.282 62.211 -1.929 18714 5443 1 14 . 1 1 34 34 SER CB C 34 61.931 61.931 62.693 -0.762 18714 5444 1 14 . 1 1 34 34 SER H H 34 9.494 9.494 8.543 0.951 18714 5445 1 14 . 1 1 35 35 GLU N N 35 126.075 126.075 122.067 4.008 18714 5446 1 14 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.172 0.731 18714 5447 1 14 . 1 1 35 35 GLU C C 35 177.715 177.715 178.679 -0.964 18714 5448 1 14 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.225 -2.341 18714 5449 1 14 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.702 -1.181 18714 5450 1 14 . 1 1 35 35 GLU H H 35 7.493 7.493 8.532 -1.039 18714 5451 1 14 . 1 1 36 36 ILE N N 36 120.906 120.906 119.827 1.079 18714 5452 1 14 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.729 -0.126 18714 5453 1 14 . 1 1 36 36 ILE C C 36 177.725 177.725 178.155 -0.430 18714 5454 1 14 . 1 1 36 36 ILE CA C 36 64.945 64.945 64.604 0.341 18714 5455 1 14 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.789 -1.916 18714 5456 1 14 . 1 1 36 36 ILE H H 36 7.697 7.697 7.882 -0.185 18714 5457 1 14 . 1 1 37 37 ILE N N 37 119.451 119.451 119.362 0.089 18714 5458 1 14 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.758 0.201 18714 5459 1 14 . 1 1 37 37 ILE C C 37 178.085 178.085 178.267 -0.182 18714 5460 1 14 . 1 1 37 37 ILE CA C 37 64.734 64.734 64.809 -0.075 18714 5461 1 14 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.436 0.345 18714 5462 1 14 . 1 1 37 37 ILE H H 37 8.229 8.229 8.052 0.177 18714 5463 1 14 . 1 1 38 38 ARG N N 38 122.344 122.344 120.815 1.529 18714 5464 1 14 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.000 -0.032 18714 5465 1 14 . 1 1 38 38 ARG C C 38 179.165 179.165 178.700 0.465 18714 5466 1 14 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.828 0.093 18714 5467 1 14 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.149 0.514 18714 5468 1 14 . 1 1 38 38 ARG H H 38 7.664 7.664 7.802 -0.138 18714 5469 1 14 . 1 1 39 39 LEU N N 39 117.479 117.479 119.125 -1.646 18714 5470 1 14 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.958 0.068 18714 5471 1 14 . 1 1 39 39 LEU C C 39 181.316 181.316 179.098 2.218 18714 5472 1 14 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.805 -0.225 18714 5473 1 14 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.858 1.526 18714 5474 1 14 . 1 1 39 39 LEU H H 39 8.629 8.629 7.862 0.767 18714 5475 1 14 . 1 1 40 40 MET N N 40 126.468 126.468 118.221 8.247 18714 5476 1 14 . 1 1 40 40 MET HA H 40 3.957 3.957 4.047 -0.090 18714 5477 1 14 . 1 1 40 40 MET C C 40 178.466 178.466 178.926 -0.460 18714 5478 1 14 . 1 1 40 40 MET CA C 40 60.109 60.109 59.510 0.599 18714 5479 1 14 . 1 1 40 40 MET CB C 40 34.065 34.065 32.777 1.288 18714 5480 1 14 . 1 1 40 40 MET H H 40 9.112 9.112 8.315 0.797 18714 5481 1 14 . 1 1 41 41 LYS N N 41 119.282 119.282 116.572 2.710 18714 5482 1 14 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.238 -0.198 18714 5483 1 14 . 1 1 41 41 LYS C C 41 178.805 178.805 177.944 0.861 18714 5484 1 14 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.306 0.909 18714 5485 1 14 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.492 -0.365 18714 5486 1 14 . 1 1 41 41 LYS H H 41 7.721 7.721 7.539 0.182 18714 5487 1 14 . 1 1 42 42 ILE N N 42 114.582 114.582 120.401 -5.819 18714 5488 1 14 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.050 0.100 18714 5489 1 14 . 1 1 42 42 ILE C C 42 177.365 177.365 178.150 -0.785 18714 5490 1 14 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.241 -0.524 18714 5491 1 14 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.735 1.095 18714 5492 1 14 . 1 1 42 42 ILE H H 42 7.804 7.804 7.804 -0.000 18714 5493 1 14 . 1 1 43 43 THR N N 43 107.511 107.511 112.695 -5.184 18714 5494 1 14 . 1 1 43 43 THR HA H 43 4.536 4.536 4.131 0.405 18714 5495 1 14 . 1 1 43 43 THR C C 43 176.120 176.120 175.890 0.230 18714 5496 1 14 . 1 1 43 43 THR CA C 43 63.136 63.136 64.532 -1.396 18714 5497 1 14 . 1 1 43 43 THR CB C 43 72.060 72.060 69.589 2.471 18714 5498 1 14 . 1 1 43 43 THR H H 43 8.313 8.313 8.275 0.038 18714 5499 1 14 . 1 1 44 44 GLY N N 44 111.235 111.235 109.577 1.658 18714 5500 1 14 . 1 1 44 44 GLY C C 44 174.134 174.134 174.549 -0.415 18714 5501 1 14 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.710 1.095 18714 5502 1 14 . 1 1 44 44 GLY H H 44 8.055 8.055 7.726 0.329 18714 5503 1 14 . 1 1 45 45 LEU N N 45 120.586 120.586 119.445 1.141 18714 5504 1 14 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.635 -0.130 18714 5505 1 14 . 1 1 45 45 LEU C C 45 176.634 176.634 175.826 0.808 18714 5506 1 14 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.133 0.624 18714 5507 1 14 . 1 1 45 45 LEU CB C 45 43.306 43.306 44.178 -0.872 18714 5508 1 14 . 1 1 45 45 LEU H H 45 7.708 7.708 7.436 0.272 18714 5509 1 14 . 1 1 46 46 THR N N 46 109.308 109.308 109.226 0.082 18714 5510 1 14 . 1 1 46 46 THR HA H 46 4.325 4.325 4.593 -0.268 18714 5511 1 14 . 1 1 46 46 THR C C 46 175.215 175.215 175.140 0.075 18714 5512 1 14 . 1 1 46 46 THR CA C 46 60.914 60.914 60.187 0.727 18714 5513 1 14 . 1 1 46 46 THR CB C 46 71.237 71.237 70.859 0.378 18714 5514 1 14 . 1 1 46 46 THR H H 46 8.570 8.570 7.828 0.742 18714 5515 1 14 . 1 1 47 47 LYS N N 47 121.342 121.342 121.680 -0.338 18714 5516 1 14 . 1 1 47 47 LYS HA H 47 3.685 3.685 4.071 -0.386 18714 5517 1 14 . 1 1 47 47 LYS C C 47 178.805 178.805 178.886 -0.081 18714 5518 1 14 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.176 0.616 18714 5519 1 14 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.127 0.207 18714 5520 1 14 . 1 1 47 47 LYS H H 47 8.797 8.797 8.684 0.113 18714 5521 1 14 . 1 1 48 48 GLY N N 48 104.143 104.143 105.736 -1.593 18714 5522 1 14 . 1 1 48 48 GLY C C 48 177.149 177.149 176.802 0.347 18714 5523 1 14 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.938 -0.049 18714 5524 1 14 . 1 1 48 48 GLY H H 48 8.715 8.715 8.602 0.113 18714 5525 1 14 . 1 1 49 49 GLU N N 49 121.943 121.943 122.078 -0.135 18714 5526 1 14 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.103 -0.013 18714 5527 1 14 . 1 1 49 49 GLU C C 49 179.886 179.886 179.214 0.672 18714 5528 1 14 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.277 -0.094 18714 5529 1 14 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.429 1.261 18714 5530 1 14 . 1 1 49 49 GLU H H 49 7.851 7.851 7.594 0.257 18714 5531 1 14 . 1 1 50 50 ILE N N 50 121.748 121.748 120.642 1.106 18714 5532 1 14 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.831 -0.071 18714 5533 1 14 . 1 1 50 50 ILE C C 50 177.735 177.735 178.262 -0.527 18714 5534 1 14 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.378 0.740 18714 5535 1 14 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.853 0.258 18714 5536 1 14 . 1 1 50 50 ILE H H 50 8.224 8.224 7.540 0.684 18714 5537 1 14 . 1 1 51 51 LYS N N 51 119.119 119.119 119.245 -0.126 18714 5538 1 14 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.051 0.010 18714 5539 1 14 . 1 1 51 51 LYS C C 51 179.526 179.526 179.334 0.192 18714 5540 1 14 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.438 1.682 18714 5541 1 14 . 1 1 51 51 LYS CB C 51 31.896 31.896 31.889 0.007 18714 5542 1 14 . 1 1 51 51 LYS H H 51 8.842 8.842 8.447 0.395 18714 5543 1 14 . 1 1 52 52 LYS N N 52 120.252 120.252 119.527 0.725 18714 5544 1 14 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.172 0.022 18714 5545 1 14 . 1 1 52 52 LYS C C 52 176.830 176.830 178.599 -1.769 18714 5546 1 14 . 1 1 52 52 LYS CA C 52 58.750 58.750 58.985 -0.235 18714 5547 1 14 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.373 0.014 18714 5548 1 14 . 1 1 52 52 LYS H H 52 8.208 8.208 7.754 0.454 18714 5549 1 14 . 1 1 53 53 TRP N N 53 120.333 120.333 122.622 -2.289 18714 5550 1 14 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.238 -0.049 18714 5551 1 14 . 1 1 53 53 TRP C C 53 180.266 180.266 177.956 2.310 18714 5552 1 14 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.832 0.887 18714 5553 1 14 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.361 -1.207 18714 5554 1 14 . 1 1 53 53 TRP H H 53 8.132 8.132 7.911 0.221 18714 5555 1 14 . 1 1 54 54 PHE N N 54 120.742 120.742 116.339 4.403 18714 5556 1 14 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.830 -0.116 18714 5557 1 14 . 1 1 54 54 PHE C C 54 177.488 177.488 178.133 -0.645 18714 5558 1 14 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.114 1.779 18714 5559 1 14 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.699 0.703 18714 5560 1 14 . 1 1 54 54 PHE H H 54 8.903 8.903 8.361 0.542 18714 5561 1 14 . 1 1 55 55 SER N N 55 113.136 113.136 116.350 -3.214 18714 5562 1 14 . 1 1 55 55 SER HA H 55 4.063 4.063 4.179 -0.116 18714 5563 1 14 . 1 1 55 55 SER C C 55 177.571 177.571 176.507 1.064 18714 5564 1 14 . 1 1 55 55 SER CA C 55 62.419 62.419 62.001 0.418 18714 5565 1 14 . 1 1 55 55 SER CB C 55 62.673 62.673 63.040 -0.367 18714 5566 1 14 . 1 1 55 55 SER H H 55 8.136 8.136 7.631 0.505 18714 5567 1 14 . 1 1 56 56 ASP N N 56 122.871 122.871 121.741 1.130 18714 5568 1 14 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.428 -0.130 18714 5569 1 14 . 1 1 56 56 ASP C C 56 178.085 178.085 178.444 -0.359 18714 5570 1 14 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.335 -0.372 18714 5571 1 14 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.739 -1.018 18714 5572 1 14 . 1 1 56 56 ASP H H 56 9.091 9.091 8.051 1.040 18714 5573 1 14 . 1 1 57 57 THR N N 57 118.957 118.957 115.911 3.046 18714 5574 1 14 . 1 1 57 57 THR HA H 57 3.335 3.335 3.738 -0.403 18714 5575 1 14 . 1 1 57 57 THR C C 57 175.925 175.925 175.848 0.077 18714 5576 1 14 . 1 1 57 57 THR CA C 57 67.064 67.064 65.630 1.434 18714 5577 1 14 . 1 1 57 57 THR CB C 57 67.387 67.387 67.616 -0.229 18714 5578 1 14 . 1 1 57 57 THR H H 57 7.926 7.926 7.971 -0.045 18714 5579 1 14 . 1 1 58 58 ARG N N 58 120.980 120.980 122.858 -1.878 18714 5580 1 14 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.292 -0.091 18714 5581 1 14 . 1 1 58 58 ARG C C 58 179.536 179.536 178.477 1.059 18714 5582 1 14 . 1 1 58 58 ARG CA C 58 59.976 59.976 58.385 1.591 18714 5583 1 14 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.628 1.766 18714 5584 1 14 . 1 1 58 58 ARG H H 58 8.139 8.139 7.498 0.641 18714 5585 1 14 . 1 1 59 59 TYR N N 59 119.449 119.449 120.427 -0.978 18714 5586 1 14 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.221 -0.077 18714 5587 1 14 . 1 1 59 59 TYR C C 59 178.075 178.075 177.262 0.813 18714 5588 1 14 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.297 0.023 18714 5589 1 14 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.386 -0.384 18714 5590 1 14 . 1 1 59 59 TYR H H 59 8.004 8.004 7.966 0.038 18714 5591 1 14 . 1 1 60 60 ASN N N 60 118.169 118.169 116.467 1.702 18714 5592 1 14 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.404 -0.050 18714 5593 1 14 . 1 1 60 60 ASN C C 60 177.005 177.005 177.505 -0.500 18714 5594 1 14 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.221 -0.061 18714 5595 1 14 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.263 0.029 18714 5596 1 14 . 1 1 60 60 ASN H H 60 8.354 8.354 7.929 0.425 18714 5597 1 14 . 1 1 61 61 GLN N N 61 118.671 118.671 120.051 -1.380 18714 5598 1 14 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.104 0.037 18714 5599 1 14 . 1 1 61 61 GLN C C 61 177.046 177.046 176.900 0.146 18714 5600 1 14 . 1 1 61 61 GLN CA C 61 57.217 57.217 58.065 -0.848 18714 5601 1 14 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.937 -0.471 18714 5602 1 14 . 1 1 61 61 GLN H H 61 7.971 7.971 7.942 0.029 18714 5603 1 14 . 1 1 62 62 ARG N N 62 119.140 119.140 115.449 3.691 18714 5604 1 14 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.395 -0.206 18714 5605 1 14 . 1 1 62 62 ARG C C 62 176.655 176.655 176.011 0.644 18714 5606 1 14 . 1 1 62 62 ARG CA C 62 57.462 57.462 55.435 2.027 18714 5607 1 14 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.193 -0.297 18714 5608 1 14 . 1 1 62 62 ARG H H 62 7.690 7.690 7.488 0.202 18714 5609 1 14 . 1 1 63 63 ASN N N 63 117.472 117.472 119.403 -1.931 18714 5610 1 14 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.523 0.211 18714 5611 1 14 . 1 1 63 63 ASN C C 63 175.194 175.194 174.871 0.323 18714 5612 1 14 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.752 0.389 18714 5613 1 14 . 1 1 63 63 ASN CB C 63 38.875 38.875 39.488 -0.613 18714 5614 1 14 . 1 1 63 63 ASN H H 63 8.003 8.003 7.410 0.593 18714 5615 1 14 . 1 1 64 64 SER N N 64 115.768 115.768 119.481 -3.713 18714 5616 1 14 . 1 1 64 64 SER HA H 64 4.402 4.402 4.378 0.024 18714 5617 1 14 . 1 1 64 64 SER C C 64 174.721 174.721 174.393 0.328 18714 5618 1 14 . 1 1 64 64 SER CA C 64 58.758 58.758 59.038 -0.280 18714 5619 1 14 . 1 1 64 64 SER CB C 64 63.620 63.620 63.261 0.359 18714 5620 1 14 . 1 1 64 64 SER H H 64 7.942 7.942 8.396 -0.454 18714 5621 1 14 . 1 1 65 65 LYS N N 65 122.579 122.579 125.118 -2.539 18714 5622 1 14 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.131 0.179 18714 5623 1 14 . 1 1 65 65 LYS C C 65 176.665 176.665 174.453 2.212 18714 5624 1 14 . 1 1 65 65 LYS CA C 65 56.366 56.366 56.981 -0.615 18714 5625 1 14 . 1 1 65 65 LYS CB C 65 33.054 33.054 31.998 1.056 18714 5626 1 14 . 1 1 65 65 LYS H H 65 8.319 8.319 8.592 -0.273 18714 5627 1 14 . 1 1 66 66 SER N N 66 115.560 115.560 117.973 -2.413 18714 5628 1 14 . 1 1 66 66 SER HA H 66 4.425 4.425 4.518 -0.093 18714 5629 1 14 . 1 1 66 66 SER CA C 66 58.577 58.577 57.904 0.673 18714 5630 1 14 . 1 1 66 66 SER CB C 66 63.670 63.670 65.097 -1.427 18714 5631 1 14 . 1 1 66 66 SER H H 66 8.184 8.184 8.125 0.059 18714 5632 1 14 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.723 -0.020 18714 5633 1 14 . 1 1 67 67 ASN C C 67 175.196 175.196 175.274 -0.078 18714 5634 1 14 . 1 1 67 67 ASN CA C 67 53.417 53.417 52.874 0.542 18714 5635 1 14 . 1 1 67 67 ASN CB C 67 38.593 38.593 37.179 1.414 18714 5636 1 14 . 1 1 68 68 GLN N N 68 120.106 120.106 121.334 -1.228 18714 5637 1 14 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.498 -0.195 18714 5638 1 14 . 1 1 68 68 GLN C C 68 175.708 175.708 176.156 -0.448 18714 5639 1 14 . 1 1 68 68 GLN CA C 68 56.172 56.172 54.436 1.736 18714 5640 1 14 . 1 1 68 68 GLN CB C 68 29.172 29.172 29.704 -0.532 18714 5641 1 14 . 1 1 68 68 GLN H H 68 8.283 8.283 8.204 0.079 18714 5642 1 14 . 1 1 69 69 CYS N N 69 119.599 119.599 124.126 -4.527 18714 5643 1 14 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.559 -0.155 18714 5644 1 14 . 1 1 69 69 CYS C C 69 174.412 174.412 174.482 -0.070 18714 5645 1 14 . 1 1 69 69 CYS CA C 69 58.693 58.693 57.989 0.705 18714 5646 1 14 . 1 1 69 69 CYS CB C 69 27.610 27.610 26.297 1.313 18714 5647 1 14 . 1 1 69 69 CYS H H 69 8.313 8.313 8.678 -0.365 18714 5648 1 14 . 1 1 70 70 LEU N N 70 123.832 123.832 129.510 -5.678 18714 5649 1 14 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.436 -0.169 18714 5650 1 14 . 1 1 70 70 LEU C C 70 176.645 176.645 176.405 0.240 18714 5651 1 14 . 1 1 70 70 LEU CA C 70 55.283 55.283 54.243 1.040 18714 5652 1 14 . 1 1 70 70 LEU CB C 70 42.259 42.259 41.541 0.718 18714 5653 1 14 . 1 1 70 70 LEU H H 70 8.201 8.201 8.309 -0.108 18714 5654 1 14 . 1 1 71 71 HIS N N 71 119.423 119.423 126.180 -6.757 18714 5655 1 14 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.557 0.091 18714 5656 1 14 . 1 1 71 71 HIS C C 71 174.494 174.494 174.829 -0.335 18714 5657 1 14 . 1 1 71 71 HIS CA C 71 55.424 55.424 55.908 -0.484 18714 5658 1 14 . 1 1 71 71 HIS CB C 71 29.687 29.687 28.934 0.753 18714 5659 1 14 . 1 1 71 71 HIS H H 71 8.308 8.308 8.706 -0.398 18714 5660 1 14 . 1 1 72 72 LEU N N 72 122.990 122.990 124.387 -1.397 18714 5661 1 14 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.644 -0.311 18714 5662 1 14 . 1 1 72 72 LEU C C 72 176.645 176.645 175.868 0.777 18714 5663 1 14 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.537 0.444 18714 5664 1 14 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.425 -0.244 18714 5665 1 14 . 1 1 72 72 LEU H H 72 8.146 8.146 7.681 0.465 18714 5666 1 14 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.786 -0.053 18714 5667 1 14 . 1 1 73 73 ASN C C 73 173.774 173.774 173.485 0.289 18714 5668 1 14 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.237 -0.204 18714 5669 1 14 . 1 1 73 73 ASN CB C 73 38.928 38.928 39.052 -0.124 18714 5670 1 14 . 1 1 73 73 ASN H H 73 8.428 8.428 8.669 -0.241 18714 5671 1 15 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.804 -0.420 18714 5672 1 15 . 1 1 4 4 PRO C C 4 176.388 176.388 176.808 -0.420 18714 5673 1 15 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.501 0.596 18714 5674 1 15 . 1 1 4 4 PRO CB C 4 32.056 32.056 32.565 -0.509 18714 5675 1 15 . 1 1 5 5 ASP N N 5 120.482 120.482 115.978 4.504 18714 5676 1 15 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.390 0.154 18714 5677 1 15 . 1 1 5 5 ASP C C 5 176.336 176.336 175.585 0.751 18714 5678 1 15 . 1 1 5 5 ASP CA C 5 54.322 54.322 55.195 -0.873 18714 5679 1 15 . 1 1 5 5 ASP CB C 5 41.006 41.006 39.878 1.128 18714 5680 1 15 . 1 1 5 5 ASP H H 5 8.415 8.415 8.595 -0.180 18714 5681 1 15 . 1 1 6 6 SER N N 6 115.481 115.481 114.555 0.926 18714 5682 1 15 . 1 1 6 6 SER HA H 6 4.326 4.326 4.443 -0.117 18714 5683 1 15 . 1 1 6 6 SER C C 6 174.494 174.494 174.740 -0.246 18714 5684 1 15 . 1 1 6 6 SER CA C 6 58.559 58.559 58.853 -0.294 18714 5685 1 15 . 1 1 6 6 SER CB C 6 63.461 63.461 63.089 0.372 18714 5686 1 15 . 1 1 6 6 SER H H 6 8.146 8.146 7.982 0.164 18714 5687 1 15 . 1 1 7 7 PHE N N 7 121.475 121.475 129.843 -8.368 18714 5688 1 15 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.634 -0.075 18714 5689 1 15 . 1 1 7 7 PHE C C 7 176.285 176.285 175.300 0.985 18714 5690 1 15 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.684 0.543 18714 5691 1 15 . 1 1 7 7 PHE CB C 7 39.213 39.213 39.676 -0.463 18714 5692 1 15 . 1 1 7 7 PHE H H 7 8.236 8.236 8.422 -0.186 18714 5693 1 15 . 1 1 8 8 GLY N N 8 109.715 109.715 107.927 1.788 18714 5694 1 15 . 1 1 8 8 GLY C C 8 174.124 174.124 173.775 0.349 18714 5695 1 15 . 1 1 8 8 GLY CA C 8 45.366 45.366 43.868 1.498 18714 5696 1 15 . 1 1 8 8 GLY H H 8 8.256 8.256 8.025 0.231 18714 5697 1 15 . 1 1 9 9 ILE N N 9 120.361 120.361 122.822 -2.461 18714 5698 1 15 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.086 0.026 18714 5699 1 15 . 1 1 9 9 ILE C C 9 176.429 176.429 175.965 0.464 18714 5700 1 15 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.265 0.188 18714 5701 1 15 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.474 0.912 18714 5702 1 15 . 1 1 9 9 ILE H H 9 7.975 7.975 8.316 -0.341 18714 5703 1 15 . 1 1 10 10 ARG N N 10 124.698 124.698 126.252 -1.554 18714 5704 1 15 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.023 0.303 18714 5705 1 15 . 1 1 10 10 ARG C C 10 175.925 175.925 175.430 0.495 18714 5706 1 15 . 1 1 10 10 ARG CA C 10 55.824 55.824 56.699 -0.875 18714 5707 1 15 . 1 1 10 10 ARG CB C 10 30.482 30.482 29.165 1.317 18714 5708 1 15 . 1 1 10 10 ARG H H 10 8.407 8.407 8.962 -0.555 18714 5709 1 15 . 1 1 11 11 ALA N N 11 124.966 124.966 118.063 6.903 18714 5710 1 15 . 1 1 11 11 ALA HA H 11 4.273 4.273 3.564 0.709 18714 5711 1 15 . 1 1 11 11 ALA C C 11 177.715 177.715 176.054 1.661 18714 5712 1 15 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.547 -0.022 18714 5713 1 15 . 1 1 11 11 ALA CB C 11 19.094 19.094 18.995 0.099 18714 5714 1 15 . 1 1 11 11 ALA H H 11 8.257 8.257 7.868 0.389 18714 5715 1 15 . 1 1 12 12 LYS N N 12 120.850 120.850 124.559 -3.709 18714 5716 1 15 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.075 0.250 18714 5717 1 15 . 1 1 12 12 LYS C C 12 176.655 176.655 176.934 -0.279 18714 5718 1 15 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.146 -0.032 18714 5719 1 15 . 1 1 12 12 LYS CB C 12 32.985 32.985 31.827 1.158 18714 5720 1 15 . 1 1 12 12 LYS H H 12 8.217 8.217 8.283 -0.066 18714 5721 1 15 . 1 1 13 13 LYS N N 13 122.258 122.258 127.326 -5.068 18714 5722 1 15 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.218 0.390 18714 5723 1 15 . 1 1 13 13 LYS C C 13 177.005 177.005 177.057 -0.052 18714 5724 1 15 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.166 -0.291 18714 5725 1 15 . 1 1 13 13 LYS CB C 13 33.731 33.731 32.917 0.814 18714 5726 1 15 . 1 1 13 13 LYS H H 13 8.317 8.317 8.286 0.031 18714 5727 1 15 . 1 1 14 14 THR N N 14 113.409 113.409 115.452 -2.043 18714 5728 1 15 . 1 1 14 14 THR HA H 14 4.387 4.387 4.199 0.188 18714 5729 1 15 . 1 1 14 14 THR C C 14 175.215 175.215 175.989 -0.774 18714 5730 1 15 . 1 1 14 14 THR CA C 14 61.057 61.057 61.968 -0.911 18714 5731 1 15 . 1 1 14 14 THR CB C 14 70.754 70.754 69.967 0.787 18714 5732 1 15 . 1 1 14 14 THR H H 14 8.747 8.747 8.322 0.425 18714 5733 1 15 . 1 1 15 15 LYS N N 15 120.711 120.711 121.889 -1.178 18714 5734 1 15 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.985 -0.022 18714 5735 1 15 . 1 1 15 15 LYS C C 15 178.898 178.898 178.535 0.363 18714 5736 1 15 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.042 0.545 18714 5737 1 15 . 1 1 15 15 LYS CB C 15 32.016 32.016 31.543 0.473 18714 5738 1 15 . 1 1 15 15 LYS H H 15 8.804 8.804 8.755 0.049 18714 5739 1 15 . 1 1 16 16 GLU N N 16 119.447 119.447 118.847 0.600 18714 5740 1 15 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.080 -0.037 18714 5741 1 15 . 1 1 16 16 GLU C C 16 179.536 179.536 178.753 0.783 18714 5742 1 15 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.345 0.766 18714 5743 1 15 . 1 1 16 16 GLU CB C 16 28.697 28.697 28.865 -0.168 18714 5744 1 15 . 1 1 16 16 GLU H H 16 8.715 8.715 8.580 0.135 18714 5745 1 15 . 1 1 17 17 GLN N N 17 119.610 119.610 119.172 0.438 18714 5746 1 15 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.939 -0.078 18714 5747 1 15 . 1 1 17 17 GLN C C 17 177.725 177.725 178.576 -0.851 18714 5748 1 15 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.703 0.182 18714 5749 1 15 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.692 0.009 18714 5750 1 15 . 1 1 17 17 GLN H H 17 7.811 7.811 7.534 0.277 18714 5751 1 15 . 1 1 18 18 LEU N N 18 116.893 116.893 119.669 -2.776 18714 5752 1 15 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.529 0.055 18714 5753 1 15 . 1 1 18 18 LEU C C 18 178.250 178.250 178.354 -0.104 18714 5754 1 15 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.303 -0.076 18714 5755 1 15 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.540 0.123 18714 5756 1 15 . 1 1 18 18 LEU H H 18 8.190 8.190 7.952 0.238 18714 5757 1 15 . 1 1 19 19 ALA N N 19 120.561 120.561 121.338 -0.777 18714 5758 1 15 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.845 0.142 18714 5759 1 15 . 1 1 19 19 ALA C C 19 180.071 180.071 179.778 0.293 18714 5760 1 15 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.360 -0.229 18714 5761 1 15 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.846 0.075 18714 5762 1 15 . 1 1 19 19 ALA H H 19 8.013 8.013 7.968 0.045 18714 5763 1 15 . 1 1 20 20 GLU N N 20 115.648 115.648 117.845 -2.197 18714 5764 1 15 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.021 0.016 18714 5765 1 15 . 1 1 20 20 GLU C C 20 179.526 179.526 179.231 0.295 18714 5766 1 15 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.955 -1.011 18714 5767 1 15 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.156 -0.296 18714 5768 1 15 . 1 1 20 20 GLU H H 20 7.165 7.165 7.617 -0.452 18714 5769 1 15 . 1 1 21 21 LEU N N 21 120.140 120.140 119.472 0.668 18714 5770 1 15 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.961 -0.403 18714 5771 1 15 . 1 1 21 21 LEU C C 21 177.344 177.344 179.019 -1.675 18714 5772 1 15 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.329 0.582 18714 5773 1 15 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.758 -2.925 18714 5774 1 15 . 1 1 21 21 LEU H H 21 7.428 7.428 7.260 0.168 18714 5775 1 15 . 1 1 22 22 LYS N N 22 117.352 117.352 119.742 -2.390 18714 5776 1 15 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.271 -0.295 18714 5777 1 15 . 1 1 22 22 LYS C C 22 178.805 178.805 179.331 -0.526 18714 5778 1 15 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.598 0.684 18714 5779 1 15 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.471 -0.297 18714 5780 1 15 . 1 1 22 22 LYS H H 22 8.021 8.021 7.719 0.302 18714 5781 1 15 . 1 1 23 23 VAL N N 23 117.470 117.470 119.436 -1.966 18714 5782 1 15 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.769 -0.072 18714 5783 1 15 . 1 1 23 23 VAL C C 23 178.291 178.291 178.094 0.197 18714 5784 1 15 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.348 0.073 18714 5785 1 15 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.996 0.714 18714 5786 1 15 . 1 1 23 23 VAL H H 23 7.618 7.618 7.973 -0.355 18714 5787 1 15 . 1 1 24 24 SER N N 24 113.371 113.371 115.265 -1.894 18714 5788 1 15 . 1 1 24 24 SER HA H 24 4.247 4.247 4.223 0.024 18714 5789 1 15 . 1 1 24 24 SER C C 24 177.015 177.015 176.471 0.544 18714 5790 1 15 . 1 1 24 24 SER CA C 24 61.550 61.550 61.536 0.014 18714 5791 1 15 . 1 1 24 24 SER CB C 24 62.987 62.987 63.217 -0.230 18714 5792 1 15 . 1 1 24 24 SER H H 24 7.340 7.340 7.796 -0.456 18714 5793 1 15 . 1 1 25 25 TYR N N 25 120.532 120.532 123.189 -2.657 18714 5794 1 15 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.929 -0.677 18714 5795 1 15 . 1 1 25 25 TYR C C 25 176.470 176.470 177.586 -1.116 18714 5796 1 15 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.425 0.370 18714 5797 1 15 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.761 -0.150 18714 5798 1 15 . 1 1 25 25 TYR H H 25 8.888 8.888 8.104 0.784 18714 5799 1 15 . 1 1 26 26 LEU N N 26 115.079 115.079 117.556 -2.477 18714 5800 1 15 . 1 1 26 26 LEU HA H 26 4.035 4.035 4.016 0.019 18714 5801 1 15 . 1 1 26 26 LEU C C 26 179.021 179.021 178.483 0.538 18714 5802 1 15 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.837 0.013 18714 5803 1 15 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.856 0.127 18714 5804 1 15 . 1 1 26 26 LEU H H 26 7.953 7.953 7.729 0.224 18714 5805 1 15 . 1 1 27 27 LYS N N 27 119.058 119.058 116.704 2.354 18714 5806 1 15 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.230 -0.061 18714 5807 1 15 . 1 1 27 27 LYS C C 27 177.375 177.375 176.815 0.560 18714 5808 1 15 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.597 0.904 18714 5809 1 15 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.382 -0.749 18714 5810 1 15 . 1 1 27 27 LYS H H 27 7.503 7.503 7.758 -0.255 18714 5811 1 15 . 1 1 28 28 ASN N N 28 116.296 116.296 117.677 -1.381 18714 5812 1 15 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.912 -0.392 18714 5813 1 15 . 1 1 28 28 ASN C C 28 174.134 174.134 174.689 -0.555 18714 5814 1 15 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.342 1.363 18714 5815 1 15 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.675 -0.309 18714 5816 1 15 . 1 1 28 28 ASN H H 28 8.163 8.163 8.350 -0.187 18714 5817 1 15 . 1 1 29 29 GLN N N 29 123.819 123.819 121.123 2.696 18714 5818 1 15 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.759 0.091 18714 5819 1 15 . 1 1 29 29 GLN C C 29 173.785 173.785 175.399 -1.614 18714 5820 1 15 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.866 -0.264 18714 5821 1 15 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.567 -0.338 18714 5822 1 15 . 1 1 29 29 GLN H H 29 8.560 8.560 8.735 -0.175 18714 5823 1 15 . 1 1 30 30 PHE N N 30 116.997 116.997 118.805 -1.808 18714 5824 1 15 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.759 -0.017 18714 5825 1 15 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.421 -0.951 18714 5826 1 15 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.368 -0.232 18714 5827 1 15 . 1 1 30 30 PHE H H 30 8.014 8.014 7.671 0.343 18714 5828 1 15 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.417 -0.438 18714 5829 1 15 . 1 1 31 31 PRO C C 31 177.285 177.285 175.971 1.314 18714 5830 1 15 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.452 -0.188 18714 5831 1 15 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.436 -1.659 18714 5832 1 15 . 1 1 32 32 HIS N N 32 120.779 120.779 121.851 -1.072 18714 5833 1 15 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.414 0.161 18714 5834 1 15 . 1 1 32 32 HIS C C 32 176.601 176.601 176.327 0.274 18714 5835 1 15 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.745 -1.329 18714 5836 1 15 . 1 1 32 32 HIS CB C 32 31.396 31.396 31.745 -0.349 18714 5837 1 15 . 1 1 32 32 HIS H H 32 8.401 8.401 8.404 -0.003 18714 5838 1 15 . 1 1 33 33 ASP N N 33 124.390 124.390 124.277 0.113 18714 5839 1 15 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.214 0.062 18714 5840 1 15 . 1 1 33 33 ASP C C 33 178.064 178.064 178.154 -0.090 18714 5841 1 15 . 1 1 33 33 ASP CA C 33 58.486 58.486 57.738 0.748 18714 5842 1 15 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.829 -0.378 18714 5843 1 15 . 1 1 33 33 ASP H H 33 8.691 8.691 8.143 0.548 18714 5844 1 15 . 1 1 34 34 SER N N 34 114.256 114.256 114.986 -0.730 18714 5845 1 15 . 1 1 34 34 SER HA H 34 4.109 4.109 4.207 -0.098 18714 5846 1 15 . 1 1 34 34 SER C C 34 176.645 176.645 176.576 0.069 18714 5847 1 15 . 1 1 34 34 SER CA C 34 60.282 60.282 61.667 -1.385 18714 5848 1 15 . 1 1 34 34 SER CB C 34 61.931 61.931 63.268 -1.337 18714 5849 1 15 . 1 1 34 34 SER H H 34 9.494 9.494 8.041 1.453 18714 5850 1 15 . 1 1 35 35 GLU N N 35 126.075 126.075 122.824 3.251 18714 5851 1 15 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.143 0.760 18714 5852 1 15 . 1 1 35 35 GLU C C 35 177.715 177.715 178.975 -1.260 18714 5853 1 15 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.004 -2.119 18714 5854 1 15 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.225 -0.704 18714 5855 1 15 . 1 1 35 35 GLU H H 35 7.493 7.493 8.060 -0.567 18714 5856 1 15 . 1 1 36 36 ILE N N 36 120.906 120.906 119.845 1.061 18714 5857 1 15 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.713 -0.110 18714 5858 1 15 . 1 1 36 36 ILE C C 36 177.725 177.725 178.269 -0.544 18714 5859 1 15 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.216 -0.271 18714 5860 1 15 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.804 -1.931 18714 5861 1 15 . 1 1 36 36 ILE H H 36 7.697 7.697 7.948 -0.251 18714 5862 1 15 . 1 1 37 37 ILE N N 37 119.451 119.451 120.186 -0.735 18714 5863 1 15 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.555 0.404 18714 5864 1 15 . 1 1 37 37 ILE C C 37 178.085 178.085 177.729 0.356 18714 5865 1 15 . 1 1 37 37 ILE CA C 37 64.734 64.734 65.523 -0.789 18714 5866 1 15 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.515 0.266 18714 5867 1 15 . 1 1 37 37 ILE H H 37 8.229 8.229 7.851 0.378 18714 5868 1 15 . 1 1 38 38 ARG N N 38 122.344 122.344 120.555 1.789 18714 5869 1 15 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.000 -0.032 18714 5870 1 15 . 1 1 38 38 ARG C C 38 179.165 179.165 178.799 0.366 18714 5871 1 15 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.792 0.129 18714 5872 1 15 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.096 0.567 18714 5873 1 15 . 1 1 38 38 ARG H H 38 7.664 7.664 7.731 -0.067 18714 5874 1 15 . 1 1 39 39 LEU N N 39 117.479 117.479 118.998 -1.519 18714 5875 1 15 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.969 0.057 18714 5876 1 15 . 1 1 39 39 LEU C C 39 181.316 181.316 179.288 2.028 18714 5877 1 15 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.685 -0.105 18714 5878 1 15 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.819 1.565 18714 5879 1 15 . 1 1 39 39 LEU H H 39 8.629 8.629 8.013 0.616 18714 5880 1 15 . 1 1 40 40 MET N N 40 126.468 126.468 118.103 8.365 18714 5881 1 15 . 1 1 40 40 MET HA H 40 3.957 3.957 4.201 -0.244 18714 5882 1 15 . 1 1 40 40 MET C C 40 178.466 178.466 178.921 -0.455 18714 5883 1 15 . 1 1 40 40 MET CA C 40 60.109 60.109 59.085 1.024 18714 5884 1 15 . 1 1 40 40 MET CB C 40 34.065 34.065 32.429 1.636 18714 5885 1 15 . 1 1 40 40 MET H H 40 9.112 9.112 7.801 1.311 18714 5886 1 15 . 1 1 41 41 LYS N N 41 119.282 119.282 118.884 0.398 18714 5887 1 15 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.087 -0.047 18714 5888 1 15 . 1 1 41 41 LYS C C 41 178.805 178.805 178.347 0.458 18714 5889 1 15 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.650 0.565 18714 5890 1 15 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.007 0.120 18714 5891 1 15 . 1 1 41 41 LYS H H 41 7.721 7.721 7.893 -0.172 18714 5892 1 15 . 1 1 42 42 ILE N N 42 114.582 114.582 118.509 -3.927 18714 5893 1 15 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.148 0.002 18714 5894 1 15 . 1 1 42 42 ILE C C 42 177.365 177.365 178.016 -0.651 18714 5895 1 15 . 1 1 42 42 ILE CA C 42 62.717 62.717 62.188 0.529 18714 5896 1 15 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.952 0.878 18714 5897 1 15 . 1 1 42 42 ILE H H 42 7.804 7.804 7.894 -0.090 18714 5898 1 15 . 1 1 43 43 THR N N 43 107.511 107.511 110.867 -3.356 18714 5899 1 15 . 1 1 43 43 THR HA H 43 4.536 4.536 4.079 0.457 18714 5900 1 15 . 1 1 43 43 THR C C 43 176.120 176.120 176.044 0.076 18714 5901 1 15 . 1 1 43 43 THR CA C 43 63.136 63.136 64.184 -1.048 18714 5902 1 15 . 1 1 43 43 THR CB C 43 72.060 72.060 69.502 2.558 18714 5903 1 15 . 1 1 43 43 THR H H 43 8.313 8.313 8.132 0.181 18714 5904 1 15 . 1 1 44 44 GLY N N 44 111.235 111.235 109.587 1.648 18714 5905 1 15 . 1 1 44 44 GLY C C 44 174.134 174.134 174.860 -0.726 18714 5906 1 15 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.978 0.827 18714 5907 1 15 . 1 1 44 44 GLY H H 44 8.055 8.055 7.742 0.313 18714 5908 1 15 . 1 1 45 45 LEU N N 45 120.586 120.586 120.811 -0.225 18714 5909 1 15 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.396 0.109 18714 5910 1 15 . 1 1 45 45 LEU C C 45 176.634 176.634 177.584 -0.950 18714 5911 1 15 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.710 -0.953 18714 5912 1 15 . 1 1 45 45 LEU CB C 45 43.306 43.306 43.013 0.293 18714 5913 1 15 . 1 1 45 45 LEU H H 45 7.708 7.708 7.526 0.182 18714 5914 1 15 . 1 1 46 46 THR N N 46 109.308 109.308 108.072 1.236 18714 5915 1 15 . 1 1 46 46 THR HA H 46 4.325 4.325 4.695 -0.370 18714 5916 1 15 . 1 1 46 46 THR C C 46 175.215 175.215 175.502 -0.287 18714 5917 1 15 . 1 1 46 46 THR CA C 46 60.914 60.914 60.250 0.664 18714 5918 1 15 . 1 1 46 46 THR CB C 46 71.237 71.237 71.411 -0.174 18714 5919 1 15 . 1 1 46 46 THR H H 46 8.570 8.570 8.333 0.237 18714 5920 1 15 . 1 1 47 47 LYS N N 47 121.342 121.342 123.484 -2.142 18714 5921 1 15 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.975 -0.290 18714 5922 1 15 . 1 1 47 47 LYS C C 47 178.805 178.805 178.491 0.314 18714 5923 1 15 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.276 0.516 18714 5924 1 15 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.218 0.116 18714 5925 1 15 . 1 1 47 47 LYS H H 47 8.797 8.797 8.467 0.330 18714 5926 1 15 . 1 1 48 48 GLY N N 48 104.143 104.143 107.011 -2.868 18714 5927 1 15 . 1 1 48 48 GLY C C 48 177.149 177.149 176.120 1.029 18714 5928 1 15 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.924 -0.035 18714 5929 1 15 . 1 1 48 48 GLY H H 48 8.715 8.715 8.503 0.212 18714 5930 1 15 . 1 1 49 49 GLU N N 49 121.943 121.943 122.201 -0.258 18714 5931 1 15 . 1 1 49 49 GLU HA H 49 4.090 4.090 3.994 0.096 18714 5932 1 15 . 1 1 49 49 GLU C C 49 179.886 179.886 179.426 0.460 18714 5933 1 15 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.115 0.068 18714 5934 1 15 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.554 1.136 18714 5935 1 15 . 1 1 49 49 GLU H H 49 7.851 7.851 7.570 0.281 18714 5936 1 15 . 1 1 50 50 ILE N N 50 121.748 121.748 120.183 1.565 18714 5937 1 15 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.830 -0.070 18714 5938 1 15 . 1 1 50 50 ILE C C 50 177.735 177.735 178.169 -0.434 18714 5939 1 15 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.475 0.643 18714 5940 1 15 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.914 0.198 18714 5941 1 15 . 1 1 50 50 ILE H H 50 8.224 8.224 7.857 0.367 18714 5942 1 15 . 1 1 51 51 LYS N N 51 119.119 119.119 119.910 -0.791 18714 5943 1 15 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.245 -0.184 18714 5944 1 15 . 1 1 51 51 LYS C C 51 179.526 179.526 179.338 0.188 18714 5945 1 15 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.888 1.232 18714 5946 1 15 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.278 -0.382 18714 5947 1 15 . 1 1 51 51 LYS H H 51 8.842 8.842 7.913 0.929 18714 5948 1 15 . 1 1 52 52 LYS N N 52 120.252 120.252 119.962 0.290 18714 5949 1 15 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.095 0.099 18714 5950 1 15 . 1 1 52 52 LYS C C 52 176.830 176.830 178.712 -1.882 18714 5951 1 15 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.785 -1.035 18714 5952 1 15 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.251 0.136 18714 5953 1 15 . 1 1 52 52 LYS H H 52 8.208 8.208 8.234 -0.026 18714 5954 1 15 . 1 1 53 53 TRP N N 53 120.333 120.333 122.687 -2.354 18714 5955 1 15 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.260 -0.071 18714 5956 1 15 . 1 1 53 53 TRP C C 53 180.266 180.266 177.682 2.584 18714 5957 1 15 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.638 1.081 18714 5958 1 15 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.504 -1.350 18714 5959 1 15 . 1 1 53 53 TRP H H 53 8.132 8.132 7.866 0.266 18714 5960 1 15 . 1 1 54 54 PHE N N 54 120.742 120.742 117.349 3.393 18714 5961 1 15 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.772 -0.058 18714 5962 1 15 . 1 1 54 54 PHE C C 54 177.488 177.488 178.037 -0.549 18714 5963 1 15 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.194 1.698 18714 5964 1 15 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.915 0.487 18714 5965 1 15 . 1 1 54 54 PHE H H 54 8.903 8.903 8.664 0.239 18714 5966 1 15 . 1 1 55 55 SER N N 55 113.136 113.136 115.491 -2.355 18714 5967 1 15 . 1 1 55 55 SER HA H 55 4.063 4.063 4.074 -0.011 18714 5968 1 15 . 1 1 55 55 SER C C 55 177.571 177.571 176.731 0.840 18714 5969 1 15 . 1 1 55 55 SER CA C 55 62.419 62.419 61.820 0.599 18714 5970 1 15 . 1 1 55 55 SER CB C 55 62.673 62.673 62.901 -0.228 18714 5971 1 15 . 1 1 55 55 SER H H 55 8.136 8.136 8.277 -0.141 18714 5972 1 15 . 1 1 56 56 ASP N N 56 122.871 122.871 121.800 1.071 18714 5973 1 15 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.401 -0.103 18714 5974 1 15 . 1 1 56 56 ASP C C 56 178.085 178.085 178.356 -0.271 18714 5975 1 15 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.110 -0.147 18714 5976 1 15 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.241 -0.520 18714 5977 1 15 . 1 1 56 56 ASP H H 56 9.091 9.091 7.615 1.476 18714 5978 1 15 . 1 1 57 57 THR N N 57 118.957 118.957 115.545 3.412 18714 5979 1 15 . 1 1 57 57 THR HA H 57 3.335 3.335 3.621 -0.286 18714 5980 1 15 . 1 1 57 57 THR C C 57 175.925 175.925 176.163 -0.238 18714 5981 1 15 . 1 1 57 57 THR CA C 57 67.064 67.064 65.710 1.354 18714 5982 1 15 . 1 1 57 57 THR CB C 57 67.387 67.387 67.598 -0.211 18714 5983 1 15 . 1 1 57 57 THR H H 57 7.926 7.926 7.762 0.164 18714 5984 1 15 . 1 1 58 58 ARG N N 58 120.980 120.980 120.363 0.617 18714 5985 1 15 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.222 -0.021 18714 5986 1 15 . 1 1 58 58 ARG C C 58 179.536 179.536 178.835 0.701 18714 5987 1 15 . 1 1 58 58 ARG CA C 58 59.976 59.976 58.425 1.551 18714 5988 1 15 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.858 1.536 18714 5989 1 15 . 1 1 58 58 ARG H H 58 8.139 8.139 7.676 0.463 18714 5990 1 15 . 1 1 59 59 TYR N N 59 119.449 119.449 121.719 -2.270 18714 5991 1 15 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.241 -0.097 18714 5992 1 15 . 1 1 59 59 TYR C C 59 178.075 178.075 177.711 0.364 18714 5993 1 15 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.097 0.223 18714 5994 1 15 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.501 -0.499 18714 5995 1 15 . 1 1 59 59 TYR H H 59 8.004 8.004 7.759 0.245 18714 5996 1 15 . 1 1 60 60 ASN N N 60 118.169 118.169 116.689 1.480 18714 5997 1 15 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.600 -0.246 18714 5998 1 15 . 1 1 60 60 ASN C C 60 177.005 177.005 175.954 1.051 18714 5999 1 15 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.008 0.152 18714 6000 1 15 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.333 -0.041 18714 6001 1 15 . 1 1 60 60 ASN H H 60 8.354 8.354 8.252 0.102 18714 6002 1 15 . 1 1 61 61 GLN N N 61 118.671 118.671 117.500 1.171 18714 6003 1 15 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.308 -0.167 18714 6004 1 15 . 1 1 61 61 GLN C C 61 177.046 177.046 176.211 0.835 18714 6005 1 15 . 1 1 61 61 GLN CA C 61 57.217 57.217 56.856 0.360 18714 6006 1 15 . 1 1 61 61 GLN CB C 61 28.466 28.466 29.207 -0.741 18714 6007 1 15 . 1 1 61 61 GLN H H 61 7.971 7.971 7.616 0.355 18714 6008 1 15 . 1 1 62 62 ARG N N 62 119.140 119.140 117.940 1.200 18714 6009 1 15 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.428 -0.239 18714 6010 1 15 . 1 1 62 62 ARG C C 62 176.655 176.655 175.504 1.151 18714 6011 1 15 . 1 1 62 62 ARG CA C 62 57.462 57.462 55.467 1.995 18714 6012 1 15 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.486 -0.590 18714 6013 1 15 . 1 1 62 62 ARG H H 62 7.690 7.690 7.480 0.210 18714 6014 1 15 . 1 1 63 63 ASN N N 63 117.472 117.472 119.123 -1.651 18714 6015 1 15 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.190 0.544 18714 6016 1 15 . 1 1 63 63 ASN C C 63 175.194 175.194 175.029 0.165 18714 6017 1 15 . 1 1 63 63 ASN CA C 63 53.141 53.141 53.466 -0.325 18714 6018 1 15 . 1 1 63 63 ASN CB C 63 38.875 38.875 37.147 1.728 18714 6019 1 15 . 1 1 63 63 ASN H H 63 8.003 8.003 7.839 0.164 18714 6020 1 15 . 1 1 64 64 SER N N 64 115.768 115.768 117.323 -1.555 18714 6021 1 15 . 1 1 64 64 SER HA H 64 4.402 4.402 4.397 0.005 18714 6022 1 15 . 1 1 64 64 SER C C 64 174.721 174.721 173.347 1.374 18714 6023 1 15 . 1 1 64 64 SER CA C 64 58.758 58.758 57.816 0.942 18714 6024 1 15 . 1 1 64 64 SER CB C 64 63.620 63.620 63.703 -0.083 18714 6025 1 15 . 1 1 64 64 SER H H 64 7.942 7.942 7.979 -0.037 18714 6026 1 15 . 1 1 65 65 LYS N N 65 122.579 122.579 122.723 -0.144 18714 6027 1 15 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.208 0.102 18714 6028 1 15 . 1 1 65 65 LYS C C 65 176.665 176.665 175.684 0.981 18714 6029 1 15 . 1 1 65 65 LYS CA C 65 56.366 56.366 56.471 -0.105 18714 6030 1 15 . 1 1 65 65 LYS CB C 65 33.054 33.054 33.001 0.053 18714 6031 1 15 . 1 1 65 65 LYS H H 65 8.319 8.319 8.058 0.261 18714 6032 1 15 . 1 1 66 66 SER N N 66 115.560 115.560 119.590 -4.030 18714 6033 1 15 . 1 1 66 66 SER HA H 66 4.425 4.425 4.371 0.054 18714 6034 1 15 . 1 1 66 66 SER CA C 66 58.577 58.577 58.359 0.218 18714 6035 1 15 . 1 1 66 66 SER CB C 66 63.670 63.670 63.348 0.322 18714 6036 1 15 . 1 1 66 66 SER H H 66 8.184 8.184 8.457 -0.273 18714 6037 1 15 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.654 0.049 18714 6038 1 15 . 1 1 67 67 ASN C C 67 175.196 175.196 175.297 -0.101 18714 6039 1 15 . 1 1 67 67 ASN CA C 67 53.417 53.417 53.405 0.012 18714 6040 1 15 . 1 1 67 67 ASN CB C 67 38.593 38.593 37.919 0.674 18714 6041 1 15 . 1 1 68 68 GLN N N 68 120.106 120.106 122.848 -2.742 18714 6042 1 15 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.511 -0.208 18714 6043 1 15 . 1 1 68 68 GLN C C 68 175.708 175.708 175.808 -0.100 18714 6044 1 15 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.934 0.238 18714 6045 1 15 . 1 1 68 68 GLN CB C 68 29.172 29.172 29.493 -0.321 18714 6046 1 15 . 1 1 68 68 GLN H H 68 8.283 8.283 8.228 0.055 18714 6047 1 15 . 1 1 69 69 CYS N N 69 119.599 119.599 119.407 0.192 18714 6048 1 15 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.470 -0.066 18714 6049 1 15 . 1 1 69 69 CYS C C 69 174.412 174.412 174.109 0.303 18714 6050 1 15 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.551 -0.858 18714 6051 1 15 . 1 1 69 69 CYS CB C 69 27.610 27.610 27.982 -0.372 18714 6052 1 15 . 1 1 69 69 CYS H H 69 8.313 8.313 8.838 -0.525 18714 6053 1 15 . 1 1 70 70 LEU N N 70 123.832 123.832 121.188 2.644 18714 6054 1 15 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.048 0.219 18714 6055 1 15 . 1 1 70 70 LEU C C 70 176.645 176.645 175.741 0.904 18714 6056 1 15 . 1 1 70 70 LEU CA C 70 55.283 55.283 55.514 -0.231 18714 6057 1 15 . 1 1 70 70 LEU CB C 70 42.259 42.259 41.314 0.945 18714 6058 1 15 . 1 1 70 70 LEU H H 70 8.201 8.201 7.823 0.378 18714 6059 1 15 . 1 1 71 71 HIS N N 71 119.423 119.423 120.458 -1.035 18714 6060 1 15 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.417 0.231 18714 6061 1 15 . 1 1 71 71 HIS C C 71 174.494 174.494 174.123 0.371 18714 6062 1 15 . 1 1 71 71 HIS CA C 71 55.424 55.424 56.205 -0.780 18714 6063 1 15 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.917 -0.230 18714 6064 1 15 . 1 1 71 71 HIS H H 71 8.308 8.308 8.303 0.005 18714 6065 1 15 . 1 1 72 72 LEU N N 72 122.990 122.990 127.331 -4.341 18714 6066 1 15 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.371 -0.038 18714 6067 1 15 . 1 1 72 72 LEU C C 72 176.645 176.645 176.141 0.504 18714 6068 1 15 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.382 0.599 18714 6069 1 15 . 1 1 72 72 LEU CB C 72 42.181 42.181 40.729 1.452 18714 6070 1 15 . 1 1 72 72 LEU H H 72 8.146 8.146 8.047 0.099 18714 6071 1 15 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.787 -0.054 18714 6072 1 15 . 1 1 73 73 ASN C C 73 173.774 173.774 173.574 0.200 18714 6073 1 15 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.359 -0.326 18714 6074 1 15 . 1 1 73 73 ASN CB C 73 38.928 38.928 40.611 -1.683 18714 6075 1 15 . 1 1 73 73 ASN H H 73 8.428 8.428 8.588 -0.160 18714 6076 1 16 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.721 -0.337 18714 6077 1 16 . 1 1 4 4 PRO C C 4 176.388 176.388 175.749 0.639 18714 6078 1 16 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.602 0.495 18714 6079 1 16 . 1 1 4 4 PRO CB C 4 32.056 32.056 31.261 0.795 18714 6080 1 16 . 1 1 5 5 ASP N N 5 120.482 120.482 125.150 -4.668 18714 6081 1 16 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.196 0.348 18714 6082 1 16 . 1 1 5 5 ASP C C 5 176.336 176.336 175.403 0.933 18714 6083 1 16 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.153 0.169 18714 6084 1 16 . 1 1 5 5 ASP CB C 5 41.006 41.006 40.892 0.115 18714 6085 1 16 . 1 1 5 5 ASP H H 5 8.415 8.415 8.430 -0.015 18714 6086 1 16 . 1 1 6 6 SER N N 6 115.481 115.481 114.678 0.803 18714 6087 1 16 . 1 1 6 6 SER HA H 6 4.326 4.326 4.149 0.177 18714 6088 1 16 . 1 1 6 6 SER C C 6 174.494 174.494 173.722 0.772 18714 6089 1 16 . 1 1 6 6 SER CA C 6 58.559 58.559 57.819 0.739 18714 6090 1 16 . 1 1 6 6 SER CB C 6 63.461 63.461 63.194 0.267 18714 6091 1 16 . 1 1 6 6 SER H H 6 8.146 8.146 8.281 -0.135 18714 6092 1 16 . 1 1 7 7 PHE N N 7 121.475 121.475 119.629 1.846 18714 6093 1 16 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.552 0.007 18714 6094 1 16 . 1 1 7 7 PHE C C 7 176.285 176.285 177.024 -0.739 18714 6095 1 16 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.505 0.722 18714 6096 1 16 . 1 1 7 7 PHE CB C 7 39.213 39.213 39.540 -0.327 18714 6097 1 16 . 1 1 7 7 PHE H H 7 8.236 8.236 8.043 0.193 18714 6098 1 16 . 1 1 8 8 GLY N N 8 109.715 109.715 110.115 -0.400 18714 6099 1 16 . 1 1 8 8 GLY C C 8 174.124 174.124 173.775 0.349 18714 6100 1 16 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.497 0.869 18714 6101 1 16 . 1 1 8 8 GLY H H 8 8.256 8.256 8.545 -0.289 18714 6102 1 16 . 1 1 9 9 ILE N N 9 120.361 120.361 123.510 -3.149 18714 6103 1 16 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.049 0.063 18714 6104 1 16 . 1 1 9 9 ILE C C 9 176.429 176.429 176.086 0.343 18714 6105 1 16 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.339 0.114 18714 6106 1 16 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.257 1.129 18714 6107 1 16 . 1 1 9 9 ILE H H 9 7.975 7.975 7.604 0.371 18714 6108 1 16 . 1 1 10 10 ARG N N 10 124.698 124.698 126.736 -2.038 18714 6109 1 16 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.549 -0.223 18714 6110 1 16 . 1 1 10 10 ARG C C 10 175.925 175.925 176.432 -0.507 18714 6111 1 16 . 1 1 10 10 ARG CA C 10 55.824 55.824 54.777 1.047 18714 6112 1 16 . 1 1 10 10 ARG CB C 10 30.482 30.482 30.061 0.421 18714 6113 1 16 . 1 1 10 10 ARG H H 10 8.407 8.407 8.059 0.348 18714 6114 1 16 . 1 1 11 11 ALA N N 11 124.966 124.966 123.444 1.522 18714 6115 1 16 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.328 -0.055 18714 6116 1 16 . 1 1 11 11 ALA C C 11 177.715 177.715 177.318 0.397 18714 6117 1 16 . 1 1 11 11 ALA CA C 11 52.525 52.525 51.961 0.564 18714 6118 1 16 . 1 1 11 11 ALA CB C 11 19.094 19.094 18.682 0.412 18714 6119 1 16 . 1 1 11 11 ALA H H 11 8.257 8.257 8.018 0.239 18714 6120 1 16 . 1 1 12 12 LYS N N 12 120.850 120.850 120.660 0.190 18714 6121 1 16 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.220 0.105 18714 6122 1 16 . 1 1 12 12 LYS C C 12 176.655 176.655 175.649 1.006 18714 6123 1 16 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.483 -0.369 18714 6124 1 16 . 1 1 12 12 LYS CB C 12 32.985 32.985 31.552 1.433 18714 6125 1 16 . 1 1 12 12 LYS H H 12 8.217 8.217 7.915 0.302 18714 6126 1 16 . 1 1 13 13 LYS N N 13 122.258 122.258 127.007 -4.749 18714 6127 1 16 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.587 0.021 18714 6128 1 16 . 1 1 13 13 LYS C C 13 177.005 177.005 177.010 -0.005 18714 6129 1 16 . 1 1 13 13 LYS CA C 13 55.875 55.875 55.058 0.817 18714 6130 1 16 . 1 1 13 13 LYS CB C 13 33.731 33.731 34.119 -0.388 18714 6131 1 16 . 1 1 13 13 LYS H H 13 8.317 8.317 7.903 0.414 18714 6132 1 16 . 1 1 14 14 THR N N 14 113.409 113.409 115.534 -2.125 18714 6133 1 16 . 1 1 14 14 THR HA H 14 4.387 4.387 4.308 0.079 18714 6134 1 16 . 1 1 14 14 THR C C 14 175.215 175.215 175.970 -0.755 18714 6135 1 16 . 1 1 14 14 THR CA C 14 61.057 61.057 61.776 -0.719 18714 6136 1 16 . 1 1 14 14 THR CB C 14 70.754 70.754 70.335 0.419 18714 6137 1 16 . 1 1 14 14 THR H H 14 8.747 8.747 8.366 0.381 18714 6138 1 16 . 1 1 15 15 LYS N N 15 120.711 120.711 121.077 -0.366 18714 6139 1 16 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.075 -0.112 18714 6140 1 16 . 1 1 15 15 LYS C C 15 178.898 178.898 179.017 -0.119 18714 6141 1 16 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.067 0.520 18714 6142 1 16 . 1 1 15 15 LYS CB C 15 32.016 32.016 31.777 0.239 18714 6143 1 16 . 1 1 15 15 LYS H H 15 8.804 8.804 8.710 0.094 18714 6144 1 16 . 1 1 16 16 GLU N N 16 119.447 119.447 118.706 0.741 18714 6145 1 16 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.057 -0.014 18714 6146 1 16 . 1 1 16 16 GLU C C 16 179.536 179.536 178.776 0.760 18714 6147 1 16 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.782 0.329 18714 6148 1 16 . 1 1 16 16 GLU CB C 16 28.697 28.697 28.803 -0.106 18714 6149 1 16 . 1 1 16 16 GLU H H 16 8.715 8.715 8.364 0.351 18714 6150 1 16 . 1 1 17 17 GLN N N 17 119.610 119.610 119.997 -0.387 18714 6151 1 16 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.879 -0.018 18714 6152 1 16 . 1 1 17 17 GLN C C 17 177.725 177.725 178.280 -0.555 18714 6153 1 16 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.923 -0.038 18714 6154 1 16 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.750 -0.049 18714 6155 1 16 . 1 1 17 17 GLN H H 17 7.811 7.811 7.482 0.329 18714 6156 1 16 . 1 1 18 18 LEU N N 18 116.893 116.893 119.166 -2.273 18714 6157 1 16 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.591 -0.007 18714 6158 1 16 . 1 1 18 18 LEU C C 18 178.250 178.250 178.278 -0.028 18714 6159 1 16 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.161 0.067 18714 6160 1 16 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.859 -0.196 18714 6161 1 16 . 1 1 18 18 LEU H H 18 8.190 8.190 8.105 0.085 18714 6162 1 16 . 1 1 19 19 ALA N N 19 120.561 120.561 121.310 -0.749 18714 6163 1 16 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.901 0.086 18714 6164 1 16 . 1 1 19 19 ALA C C 19 180.071 180.071 179.562 0.509 18714 6165 1 16 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.286 -0.155 18714 6166 1 16 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.926 -0.005 18714 6167 1 16 . 1 1 19 19 ALA H H 19 8.013 8.013 7.525 0.488 18714 6168 1 16 . 1 1 20 20 GLU N N 20 115.648 115.648 118.609 -2.961 18714 6169 1 16 . 1 1 20 20 GLU HA H 20 4.037 4.037 3.981 0.056 18714 6170 1 16 . 1 1 20 20 GLU C C 20 179.526 179.526 179.268 0.258 18714 6171 1 16 . 1 1 20 20 GLU CA C 20 57.944 57.944 59.050 -1.106 18714 6172 1 16 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.153 -0.293 18714 6173 1 16 . 1 1 20 20 GLU H H 20 7.165 7.165 7.771 -0.606 18714 6174 1 16 . 1 1 21 21 LEU N N 21 120.140 120.140 119.367 0.773 18714 6175 1 16 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.929 -0.371 18714 6176 1 16 . 1 1 21 21 LEU C C 21 177.344 177.344 178.810 -1.466 18714 6177 1 16 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.275 0.636 18714 6178 1 16 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.526 -2.694 18714 6179 1 16 . 1 1 21 21 LEU H H 21 7.428 7.428 7.629 -0.201 18714 6180 1 16 . 1 1 22 22 LYS N N 22 117.352 117.352 119.810 -2.458 18714 6181 1 16 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.177 -0.201 18714 6182 1 16 . 1 1 22 22 LYS C C 22 178.805 178.805 179.279 -0.474 18714 6183 1 16 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.647 0.635 18714 6184 1 16 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.386 -0.212 18714 6185 1 16 . 1 1 22 22 LYS H H 22 8.021 8.021 7.427 0.594 18714 6186 1 16 . 1 1 23 23 VAL N N 23 117.470 117.470 119.490 -2.020 18714 6187 1 16 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.757 -0.060 18714 6188 1 16 . 1 1 23 23 VAL C C 23 178.291 178.291 178.267 0.024 18714 6189 1 16 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.414 0.007 18714 6190 1 16 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.994 0.716 18714 6191 1 16 . 1 1 23 23 VAL H H 23 7.618 7.618 8.205 -0.587 18714 6192 1 16 . 1 1 24 24 SER N N 24 113.371 113.371 115.388 -2.017 18714 6193 1 16 . 1 1 24 24 SER HA H 24 4.247 4.247 4.268 -0.021 18714 6194 1 16 . 1 1 24 24 SER C C 24 177.015 177.015 176.427 0.588 18714 6195 1 16 . 1 1 24 24 SER CA C 24 61.550 61.550 61.652 -0.102 18714 6196 1 16 . 1 1 24 24 SER CB C 24 62.987 62.987 63.349 -0.362 18714 6197 1 16 . 1 1 24 24 SER H H 24 7.340 7.340 7.973 -0.633 18714 6198 1 16 . 1 1 25 25 TYR N N 25 120.532 120.532 122.799 -2.267 18714 6199 1 16 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.923 -0.671 18714 6200 1 16 . 1 1 25 25 TYR C C 25 176.470 176.470 177.075 -0.605 18714 6201 1 16 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.399 0.396 18714 6202 1 16 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.938 -0.327 18714 6203 1 16 . 1 1 25 25 TYR H H 25 8.888 8.888 8.014 0.874 18714 6204 1 16 . 1 1 26 26 LEU N N 26 115.079 115.079 117.788 -2.709 18714 6205 1 16 . 1 1 26 26 LEU HA H 26 4.035 4.035 4.074 -0.039 18714 6206 1 16 . 1 1 26 26 LEU C C 26 179.021 179.021 178.504 0.517 18714 6207 1 16 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.934 -0.083 18714 6208 1 16 . 1 1 26 26 LEU CB C 26 41.983 41.983 42.098 -0.115 18714 6209 1 16 . 1 1 26 26 LEU H H 26 7.953 7.953 8.203 -0.250 18714 6210 1 16 . 1 1 27 27 LYS N N 27 119.058 119.058 119.198 -0.140 18714 6211 1 16 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.176 -0.007 18714 6212 1 16 . 1 1 27 27 LYS C C 27 177.375 177.375 176.858 0.517 18714 6213 1 16 . 1 1 27 27 LYS CA C 27 58.501 58.501 58.085 0.416 18714 6214 1 16 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.336 -0.702 18714 6215 1 16 . 1 1 27 27 LYS H H 27 7.503 7.503 7.968 -0.465 18714 6216 1 16 . 1 1 28 28 ASN N N 28 116.296 116.296 116.082 0.214 18714 6217 1 16 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.931 -0.411 18714 6218 1 16 . 1 1 28 28 ASN C C 28 174.134 174.134 174.434 -0.300 18714 6219 1 16 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.586 1.119 18714 6220 1 16 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.927 -1.561 18714 6221 1 16 . 1 1 28 28 ASN H H 28 8.163 8.163 8.110 0.053 18714 6222 1 16 . 1 1 29 29 GLN N N 29 123.819 123.819 119.342 4.477 18714 6223 1 16 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.520 0.330 18714 6224 1 16 . 1 1 29 29 GLN C C 29 173.785 173.785 174.042 -0.257 18714 6225 1 16 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.202 0.400 18714 6226 1 16 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.326 -0.096 18714 6227 1 16 . 1 1 29 29 GLN H H 29 8.560 8.560 8.714 -0.154 18714 6228 1 16 . 1 1 30 30 PHE N N 30 116.997 116.997 117.531 -0.534 18714 6229 1 16 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.799 -0.057 18714 6230 1 16 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.079 -0.609 18714 6231 1 16 . 1 1 30 30 PHE CB C 30 39.136 39.136 40.214 -1.078 18714 6232 1 16 . 1 1 30 30 PHE H H 30 8.014 8.014 7.544 0.470 18714 6233 1 16 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.381 -0.402 18714 6234 1 16 . 1 1 31 31 PRO C C 31 177.285 177.285 175.785 1.500 18714 6235 1 16 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.307 -0.043 18714 6236 1 16 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.362 -1.585 18714 6237 1 16 . 1 1 32 32 HIS N N 32 120.779 120.779 119.975 0.804 18714 6238 1 16 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.541 0.034 18714 6239 1 16 . 1 1 32 32 HIS C C 32 176.601 176.601 176.609 -0.008 18714 6240 1 16 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.154 -0.738 18714 6241 1 16 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.983 0.413 18714 6242 1 16 . 1 1 32 32 HIS H H 32 8.401 8.401 8.516 -0.115 18714 6243 1 16 . 1 1 33 33 ASP N N 33 124.390 124.390 123.636 0.754 18714 6244 1 16 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.342 -0.066 18714 6245 1 16 . 1 1 33 33 ASP C C 33 178.064 178.064 177.599 0.465 18714 6246 1 16 . 1 1 33 33 ASP CA C 33 58.486 58.486 58.152 0.334 18714 6247 1 16 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.560 -0.109 18714 6248 1 16 . 1 1 33 33 ASP H H 33 8.691 8.691 8.924 -0.233 18714 6249 1 16 . 1 1 34 34 SER N N 34 114.256 114.256 114.709 -0.453 18714 6250 1 16 . 1 1 34 34 SER HA H 34 4.109 4.109 4.304 -0.195 18714 6251 1 16 . 1 1 34 34 SER C C 34 176.645 176.645 176.653 -0.008 18714 6252 1 16 . 1 1 34 34 SER CA C 34 60.282 60.282 61.200 -0.918 18714 6253 1 16 . 1 1 34 34 SER CB C 34 61.931 61.931 62.726 -0.795 18714 6254 1 16 . 1 1 34 34 SER H H 34 9.494 9.494 8.275 1.219 18714 6255 1 16 . 1 1 35 35 GLU N N 35 126.075 126.075 122.683 3.392 18714 6256 1 16 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.132 0.771 18714 6257 1 16 . 1 1 35 35 GLU C C 35 177.715 177.715 178.714 -0.999 18714 6258 1 16 . 1 1 35 35 GLU CA C 35 56.884 56.884 58.892 -2.007 18714 6259 1 16 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.182 -0.661 18714 6260 1 16 . 1 1 35 35 GLU H H 35 7.493 7.493 8.317 -0.824 18714 6261 1 16 . 1 1 36 36 ILE N N 36 120.906 120.906 120.202 0.704 18714 6262 1 16 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.741 -0.138 18714 6263 1 16 . 1 1 36 36 ILE C C 36 177.725 177.725 177.905 -0.180 18714 6264 1 16 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.099 -0.154 18714 6265 1 16 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.782 -1.909 18714 6266 1 16 . 1 1 36 36 ILE H H 36 7.697 7.697 7.866 -0.169 18714 6267 1 16 . 1 1 37 37 ILE N N 37 119.451 119.451 119.604 -0.153 18714 6268 1 16 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.701 0.258 18714 6269 1 16 . 1 1 37 37 ILE C C 37 178.085 178.085 178.030 0.055 18714 6270 1 16 . 1 1 37 37 ILE CA C 37 64.734 64.734 63.720 1.014 18714 6271 1 16 . 1 1 37 37 ILE CB C 37 37.781 37.781 36.409 1.372 18714 6272 1 16 . 1 1 37 37 ILE H H 37 8.229 8.229 7.653 0.576 18714 6273 1 16 . 1 1 38 38 ARG N N 38 122.344 122.344 119.961 2.383 18714 6274 1 16 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.065 -0.097 18714 6275 1 16 . 1 1 38 38 ARG C C 38 179.165 179.165 178.993 0.172 18714 6276 1 16 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.404 0.517 18714 6277 1 16 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.212 0.451 18714 6278 1 16 . 1 1 38 38 ARG H H 38 7.664 7.664 7.413 0.251 18714 6279 1 16 . 1 1 39 39 LEU N N 39 117.479 117.479 119.582 -2.103 18714 6280 1 16 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.984 0.042 18714 6281 1 16 . 1 1 39 39 LEU C C 39 181.316 181.316 179.030 2.286 18714 6282 1 16 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.676 -0.096 18714 6283 1 16 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.915 1.469 18714 6284 1 16 . 1 1 39 39 LEU H H 39 8.629 8.629 7.641 0.988 18714 6285 1 16 . 1 1 40 40 MET N N 40 126.468 126.468 116.482 9.986 18714 6286 1 16 . 1 1 40 40 MET HA H 40 3.957 3.957 4.170 -0.213 18714 6287 1 16 . 1 1 40 40 MET C C 40 178.466 178.466 178.812 -0.346 18714 6288 1 16 . 1 1 40 40 MET CA C 40 60.109 60.109 58.799 1.310 18714 6289 1 16 . 1 1 40 40 MET CB C 40 34.065 34.065 32.417 1.648 18714 6290 1 16 . 1 1 40 40 MET H H 40 9.112 9.112 8.276 0.836 18714 6291 1 16 . 1 1 41 41 LYS N N 41 119.282 119.282 119.313 -0.031 18714 6292 1 16 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.080 -0.040 18714 6293 1 16 . 1 1 41 41 LYS C C 41 178.805 178.805 178.039 0.766 18714 6294 1 16 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.759 0.456 18714 6295 1 16 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.240 -0.113 18714 6296 1 16 . 1 1 41 41 LYS H H 41 7.721 7.721 7.613 0.108 18714 6297 1 16 . 1 1 42 42 ILE N N 42 114.582 114.582 119.235 -4.653 18714 6298 1 16 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.098 0.052 18714 6299 1 16 . 1 1 42 42 ILE C C 42 177.365 177.365 178.053 -0.688 18714 6300 1 16 . 1 1 42 42 ILE CA C 42 62.717 62.717 62.727 -0.010 18714 6301 1 16 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.784 1.046 18714 6302 1 16 . 1 1 42 42 ILE H H 42 7.804 7.804 7.690 0.114 18714 6303 1 16 . 1 1 43 43 THR N N 43 107.511 107.511 112.214 -4.703 18714 6304 1 16 . 1 1 43 43 THR HA H 43 4.536 4.536 4.254 0.282 18714 6305 1 16 . 1 1 43 43 THR C C 43 176.120 176.120 176.144 -0.024 18714 6306 1 16 . 1 1 43 43 THR CA C 43 63.136 63.136 63.510 -0.374 18714 6307 1 16 . 1 1 43 43 THR CB C 43 72.060 72.060 69.817 2.243 18714 6308 1 16 . 1 1 43 43 THR H H 43 8.313 8.313 8.048 0.265 18714 6309 1 16 . 1 1 44 44 GLY N N 44 111.235 111.235 111.125 0.110 18714 6310 1 16 . 1 1 44 44 GLY C C 44 174.134 174.134 174.512 -0.378 18714 6311 1 16 . 1 1 44 44 GLY CA C 44 45.805 45.805 45.126 0.679 18714 6312 1 16 . 1 1 44 44 GLY H H 44 8.055 8.055 7.817 0.238 18714 6313 1 16 . 1 1 45 45 LEU N N 45 120.586 120.586 119.970 0.616 18714 6314 1 16 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.557 -0.052 18714 6315 1 16 . 1 1 45 45 LEU C C 45 176.634 176.634 177.306 -0.672 18714 6316 1 16 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.443 0.314 18714 6317 1 16 . 1 1 45 45 LEU CB C 45 43.306 43.306 44.267 -0.961 18714 6318 1 16 . 1 1 45 45 LEU H H 45 7.708 7.708 7.581 0.127 18714 6319 1 16 . 1 1 46 46 THR N N 46 109.308 109.308 109.880 -0.572 18714 6320 1 16 . 1 1 46 46 THR HA H 46 4.325 4.325 4.575 -0.250 18714 6321 1 16 . 1 1 46 46 THR C C 46 175.215 175.215 175.545 -0.330 18714 6322 1 16 . 1 1 46 46 THR CA C 46 60.914 60.914 60.788 0.127 18714 6323 1 16 . 1 1 46 46 THR CB C 46 71.237 71.237 70.956 0.281 18714 6324 1 16 . 1 1 46 46 THR H H 46 8.570 8.570 8.387 0.183 18714 6325 1 16 . 1 1 47 47 LYS N N 47 121.342 121.342 123.752 -2.410 18714 6326 1 16 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.989 -0.304 18714 6327 1 16 . 1 1 47 47 LYS C C 47 178.805 178.805 178.444 0.361 18714 6328 1 16 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.283 0.509 18714 6329 1 16 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.096 0.238 18714 6330 1 16 . 1 1 47 47 LYS H H 47 8.797 8.797 8.539 0.258 18714 6331 1 16 . 1 1 48 48 GLY N N 48 104.143 104.143 107.121 -2.978 18714 6332 1 16 . 1 1 48 48 GLY C C 48 177.149 177.149 176.269 0.880 18714 6333 1 16 . 1 1 48 48 GLY CA C 48 46.889 46.889 47.066 -0.177 18714 6334 1 16 . 1 1 48 48 GLY H H 48 8.715 8.715 8.528 0.187 18714 6335 1 16 . 1 1 49 49 GLU N N 49 121.943 121.943 122.300 -0.357 18714 6336 1 16 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.007 0.083 18714 6337 1 16 . 1 1 49 49 GLU C C 49 179.886 179.886 179.341 0.545 18714 6338 1 16 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.218 -0.035 18714 6339 1 16 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.593 1.097 18714 6340 1 16 . 1 1 49 49 GLU H H 49 7.851 7.851 7.678 0.173 18714 6341 1 16 . 1 1 50 50 ILE N N 50 121.748 121.748 120.212 1.536 18714 6342 1 16 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.831 -0.071 18714 6343 1 16 . 1 1 50 50 ILE C C 50 177.735 177.735 178.065 -0.330 18714 6344 1 16 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.434 0.683 18714 6345 1 16 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.803 0.309 18714 6346 1 16 . 1 1 50 50 ILE H H 50 8.224 8.224 7.839 0.385 18714 6347 1 16 . 1 1 51 51 LYS N N 51 119.119 119.119 119.790 -0.671 18714 6348 1 16 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.104 -0.043 18714 6349 1 16 . 1 1 51 51 LYS C C 51 179.526 179.526 179.415 0.111 18714 6350 1 16 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.856 1.264 18714 6351 1 16 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.077 -0.181 18714 6352 1 16 . 1 1 51 51 LYS H H 51 8.842 8.842 8.042 0.800 18714 6353 1 16 . 1 1 52 52 LYS N N 52 120.252 120.252 119.700 0.552 18714 6354 1 16 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.158 0.036 18714 6355 1 16 . 1 1 52 52 LYS C C 52 176.830 176.830 178.623 -1.793 18714 6356 1 16 . 1 1 52 52 LYS CA C 52 58.750 58.750 58.961 -0.211 18714 6357 1 16 . 1 1 52 52 LYS CB C 52 32.387 32.387 31.836 0.551 18714 6358 1 16 . 1 1 52 52 LYS H H 52 8.208 8.208 7.953 0.255 18714 6359 1 16 . 1 1 53 53 TRP N N 53 120.333 120.333 121.947 -1.614 18714 6360 1 16 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.241 -0.052 18714 6361 1 16 . 1 1 53 53 TRP C C 53 180.266 180.266 178.322 1.944 18714 6362 1 16 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.571 1.148 18714 6363 1 16 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.317 -1.163 18714 6364 1 16 . 1 1 53 53 TRP H H 53 8.132 8.132 7.913 0.219 18714 6365 1 16 . 1 1 54 54 PHE N N 54 120.742 120.742 116.698 4.044 18714 6366 1 16 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.971 -0.257 18714 6367 1 16 . 1 1 54 54 PHE C C 54 177.488 177.488 177.897 -0.409 18714 6368 1 16 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.343 1.550 18714 6369 1 16 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.821 0.581 18714 6370 1 16 . 1 1 54 54 PHE H H 54 8.903 8.903 8.460 0.443 18714 6371 1 16 . 1 1 55 55 SER N N 55 113.136 113.136 115.784 -2.648 18714 6372 1 16 . 1 1 55 55 SER HA H 55 4.063 4.063 4.074 -0.011 18714 6373 1 16 . 1 1 55 55 SER C C 55 177.571 177.571 176.248 1.323 18714 6374 1 16 . 1 1 55 55 SER CA C 55 62.419 62.419 62.999 -0.580 18714 6375 1 16 . 1 1 55 55 SER CB C 55 62.673 62.673 62.941 -0.268 18714 6376 1 16 . 1 1 55 55 SER H H 55 8.136 8.136 7.907 0.229 18714 6377 1 16 . 1 1 56 56 ASP N N 56 122.871 122.871 121.552 1.319 18714 6378 1 16 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.415 -0.117 18714 6379 1 16 . 1 1 56 56 ASP C C 56 178.085 178.085 178.329 -0.244 18714 6380 1 16 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.351 -0.388 18714 6381 1 16 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.743 -1.022 18714 6382 1 16 . 1 1 56 56 ASP H H 56 9.091 9.091 7.942 1.149 18714 6383 1 16 . 1 1 57 57 THR N N 57 118.957 118.957 116.654 2.303 18714 6384 1 16 . 1 1 57 57 THR HA H 57 3.335 3.335 3.879 -0.544 18714 6385 1 16 . 1 1 57 57 THR C C 57 175.925 175.925 175.980 -0.055 18714 6386 1 16 . 1 1 57 57 THR CA C 57 67.064 67.064 65.419 1.645 18714 6387 1 16 . 1 1 57 57 THR CB C 57 67.387 67.387 67.627 -0.240 18714 6388 1 16 . 1 1 57 57 THR H H 57 7.926 7.926 7.651 0.275 18714 6389 1 16 . 1 1 58 58 ARG N N 58 120.980 120.980 121.573 -0.593 18714 6390 1 16 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.245 -0.044 18714 6391 1 16 . 1 1 58 58 ARG C C 58 179.536 179.536 178.604 0.932 18714 6392 1 16 . 1 1 58 58 ARG CA C 58 59.976 59.976 58.939 1.037 18714 6393 1 16 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.766 1.628 18714 6394 1 16 . 1 1 58 58 ARG H H 58 8.139 8.139 7.958 0.181 18714 6395 1 16 . 1 1 59 59 TYR N N 59 119.449 119.449 120.317 -0.868 18714 6396 1 16 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.294 -0.150 18714 6397 1 16 . 1 1 59 59 TYR C C 59 178.075 178.075 177.127 0.948 18714 6398 1 16 . 1 1 59 59 TYR CA C 59 61.320 61.320 60.616 0.704 18714 6399 1 16 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.283 -0.281 18714 6400 1 16 . 1 1 59 59 TYR H H 59 8.004 8.004 7.551 0.453 18714 6401 1 16 . 1 1 60 60 ASN N N 60 118.169 118.169 118.034 0.135 18714 6402 1 16 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.147 0.207 18714 6403 1 16 . 1 1 60 60 ASN C C 60 177.005 177.005 177.704 -0.699 18714 6404 1 16 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.675 -0.515 18714 6405 1 16 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.173 0.119 18714 6406 1 16 . 1 1 60 60 ASN H H 60 8.354 8.354 7.926 0.428 18714 6407 1 16 . 1 1 61 61 GLN N N 61 118.671 118.671 116.223 2.448 18714 6408 1 16 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.154 -0.013 18714 6409 1 16 . 1 1 61 61 GLN C C 61 177.046 177.046 176.360 0.686 18714 6410 1 16 . 1 1 61 61 GLN CA C 61 57.217 57.217 56.510 0.707 18714 6411 1 16 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.702 -0.236 18714 6412 1 16 . 1 1 61 61 GLN H H 61 7.971 7.971 7.697 0.274 18714 6413 1 16 . 1 1 62 62 ARG N N 62 119.140 119.140 113.471 5.669 18714 6414 1 16 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.434 -0.245 18714 6415 1 16 . 1 1 62 62 ARG C C 62 176.655 176.655 175.121 1.534 18714 6416 1 16 . 1 1 62 62 ARG CA C 62 57.462 57.462 54.369 3.093 18714 6417 1 16 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.549 -0.653 18714 6418 1 16 . 1 1 62 62 ARG H H 62 7.690 7.690 7.420 0.270 18714 6419 1 16 . 1 1 63 63 ASN N N 63 117.472 117.472 122.353 -4.881 18714 6420 1 16 . 1 1 63 63 ASN HA H 63 4.734 4.734 3.743 0.991 18714 6421 1 16 . 1 1 63 63 ASN C C 63 175.194 175.194 175.202 -0.008 18714 6422 1 16 . 1 1 63 63 ASN CA C 63 53.141 53.141 54.173 -1.032 18714 6423 1 16 . 1 1 63 63 ASN CB C 63 38.875 38.875 36.848 2.027 18714 6424 1 16 . 1 1 63 63 ASN H H 63 8.003 8.003 7.541 0.462 18714 6425 1 16 . 1 1 64 64 SER N N 64 115.768 115.768 116.746 -0.978 18714 6426 1 16 . 1 1 64 64 SER HA H 64 4.402 4.402 4.186 0.216 18714 6427 1 16 . 1 1 64 64 SER C C 64 174.721 174.721 173.473 1.248 18714 6428 1 16 . 1 1 64 64 SER CA C 64 58.758 58.758 60.097 -1.339 18714 6429 1 16 . 1 1 64 64 SER CB C 64 63.620 63.620 62.487 1.133 18714 6430 1 16 . 1 1 64 64 SER H H 64 7.942 7.942 8.339 -0.397 18714 6431 1 16 . 1 1 65 65 LYS N N 65 122.579 122.579 121.079 1.500 18714 6432 1 16 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.550 -0.240 18714 6433 1 16 . 1 1 65 65 LYS C C 65 176.665 176.665 176.169 0.496 18714 6434 1 16 . 1 1 65 65 LYS CA C 65 56.366 56.366 55.577 0.790 18714 6435 1 16 . 1 1 65 65 LYS CB C 65 33.054 33.054 33.684 -0.629 18714 6436 1 16 . 1 1 65 65 LYS H H 65 8.319 8.319 7.468 0.851 18714 6437 1 16 . 1 1 66 66 SER N N 66 115.560 115.560 119.482 -3.922 18714 6438 1 16 . 1 1 66 66 SER HA H 66 4.425 4.425 4.310 0.115 18714 6439 1 16 . 1 1 66 66 SER CA C 66 58.577 58.577 59.767 -1.190 18714 6440 1 16 . 1 1 66 66 SER CB C 66 63.670 63.670 63.318 0.352 18714 6441 1 16 . 1 1 66 66 SER H H 66 8.184 8.184 8.595 -0.411 18714 6442 1 16 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.458 0.245 18714 6443 1 16 . 1 1 67 67 ASN C C 67 175.196 175.196 176.612 -1.416 18714 6444 1 16 . 1 1 67 67 ASN CA C 67 53.417 53.417 53.866 -0.449 18714 6445 1 16 . 1 1 67 67 ASN CB C 67 38.593 38.593 37.675 0.918 18714 6446 1 16 . 1 1 68 68 GLN N N 68 120.106 120.106 120.302 -0.196 18714 6447 1 16 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.168 0.136 18714 6448 1 16 . 1 1 68 68 GLN C C 68 175.708 175.708 175.788 -0.080 18714 6449 1 16 . 1 1 68 68 GLN CA C 68 56.172 56.172 57.428 -1.256 18714 6450 1 16 . 1 1 68 68 GLN CB C 68 29.172 29.172 29.052 0.120 18714 6451 1 16 . 1 1 68 68 GLN H H 68 8.283 8.283 8.704 -0.421 18714 6452 1 16 . 1 1 69 69 CYS N N 69 119.599 119.599 116.998 2.601 18714 6453 1 16 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.284 0.120 18714 6454 1 16 . 1 1 69 69 CYS C C 69 174.412 174.412 174.961 -0.549 18714 6455 1 16 . 1 1 69 69 CYS CA C 69 58.693 58.693 58.947 -0.254 18714 6456 1 16 . 1 1 69 69 CYS CB C 69 27.610 27.610 27.327 0.283 18714 6457 1 16 . 1 1 69 69 CYS H H 69 8.313 8.313 8.241 0.072 18714 6458 1 16 . 1 1 70 70 LEU N N 70 123.832 123.832 123.117 0.715 18714 6459 1 16 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.216 0.051 18714 6460 1 16 . 1 1 70 70 LEU C C 70 176.645 176.645 177.548 -0.903 18714 6461 1 16 . 1 1 70 70 LEU CA C 70 55.283 55.283 56.653 -1.370 18714 6462 1 16 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.068 0.191 18714 6463 1 16 . 1 1 70 70 LEU H H 70 8.201 8.201 8.069 0.132 18714 6464 1 16 . 1 1 71 71 HIS N N 71 119.423 119.423 118.969 0.454 18714 6465 1 16 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.605 0.043 18714 6466 1 16 . 1 1 71 71 HIS C C 71 174.494 174.494 174.423 0.071 18714 6467 1 16 . 1 1 71 71 HIS CA C 71 55.424 55.424 54.531 0.893 18714 6468 1 16 . 1 1 71 71 HIS CB C 71 29.687 29.687 28.824 0.863 18714 6469 1 16 . 1 1 71 71 HIS H H 71 8.308 8.308 8.303 0.005 18714 6470 1 16 . 1 1 72 72 LEU N N 72 122.990 122.990 126.728 -3.738 18714 6471 1 16 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.250 0.083 18714 6472 1 16 . 1 1 72 72 LEU C C 72 176.645 176.645 177.124 -0.479 18714 6473 1 16 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.441 0.540 18714 6474 1 16 . 1 1 72 72 LEU CB C 72 42.181 42.181 41.372 0.809 18714 6475 1 16 . 1 1 72 72 LEU H H 72 8.146 8.146 8.366 -0.220 18714 6476 1 16 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.695 0.038 18714 6477 1 16 . 1 1 73 73 ASN C C 73 173.774 173.774 173.916 -0.142 18714 6478 1 16 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.082 -0.049 18714 6479 1 16 . 1 1 73 73 ASN CB C 73 38.928 38.928 38.187 0.742 18714 6480 1 16 . 1 1 73 73 ASN H H 73 8.428 8.428 8.897 -0.469 18714 6481 1 17 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.440 -0.056 18714 6482 1 17 . 1 1 4 4 PRO C C 4 176.388 176.388 175.425 0.963 18714 6483 1 17 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.953 0.144 18714 6484 1 17 . 1 1 4 4 PRO CB C 4 32.056 32.056 30.598 1.458 18714 6485 1 17 . 1 1 5 5 ASP N N 5 120.482 120.482 122.692 -2.210 18714 6486 1 17 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.665 -0.121 18714 6487 1 17 . 1 1 5 5 ASP C C 5 176.336 176.336 174.482 1.854 18714 6488 1 17 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.872 -0.550 18714 6489 1 17 . 1 1 5 5 ASP CB C 5 41.006 41.006 39.239 1.767 18714 6490 1 17 . 1 1 5 5 ASP H H 5 8.415 8.415 7.708 0.707 18714 6491 1 17 . 1 1 6 6 SER N N 6 115.481 115.481 115.544 -0.063 18714 6492 1 17 . 1 1 6 6 SER HA H 6 4.326 4.326 4.421 -0.095 18714 6493 1 17 . 1 1 6 6 SER C C 6 174.494 174.494 172.798 1.696 18714 6494 1 17 . 1 1 6 6 SER CA C 6 58.559 58.559 58.798 -0.239 18714 6495 1 17 . 1 1 6 6 SER CB C 6 63.461 63.461 63.741 -0.280 18714 6496 1 17 . 1 1 6 6 SER H H 6 8.146 8.146 7.417 0.729 18714 6497 1 17 . 1 1 7 7 PHE N N 7 121.475 121.475 124.347 -2.872 18714 6498 1 17 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.707 -0.148 18714 6499 1 17 . 1 1 7 7 PHE C C 7 176.285 176.285 176.138 0.147 18714 6500 1 17 . 1 1 7 7 PHE CA C 7 58.227 58.227 58.068 0.159 18714 6501 1 17 . 1 1 7 7 PHE CB C 7 39.213 39.213 41.294 -2.081 18714 6502 1 17 . 1 1 7 7 PHE H H 7 8.236 8.236 8.529 -0.293 18714 6503 1 17 . 1 1 8 8 GLY N N 8 109.715 109.715 113.314 -3.599 18714 6504 1 17 . 1 1 8 8 GLY C C 8 174.124 174.124 174.878 -0.754 18714 6505 1 17 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.661 0.705 18714 6506 1 17 . 1 1 8 8 GLY H H 8 8.256 8.256 8.844 -0.588 18714 6507 1 17 . 1 1 9 9 ILE N N 9 120.361 120.361 124.416 -4.055 18714 6508 1 17 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.159 -0.047 18714 6509 1 17 . 1 1 9 9 ILE C C 9 176.429 176.429 175.832 0.597 18714 6510 1 17 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.052 0.401 18714 6511 1 17 . 1 1 9 9 ILE CB C 9 38.386 38.386 35.649 2.737 18714 6512 1 17 . 1 1 9 9 ILE H H 9 7.975 7.975 8.070 -0.095 18714 6513 1 17 . 1 1 10 10 ARG N N 10 124.698 124.698 129.173 -4.475 18714 6514 1 17 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.522 -0.196 18714 6515 1 17 . 1 1 10 10 ARG C C 10 175.925 175.925 176.339 -0.414 18714 6516 1 17 . 1 1 10 10 ARG CA C 10 55.824 55.824 55.791 0.033 18714 6517 1 17 . 1 1 10 10 ARG CB C 10 30.482 30.482 31.186 -0.704 18714 6518 1 17 . 1 1 10 10 ARG H H 10 8.407 8.407 8.022 0.385 18714 6519 1 17 . 1 1 11 11 ALA N N 11 124.966 124.966 124.225 0.741 18714 6520 1 17 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.483 -0.210 18714 6521 1 17 . 1 1 11 11 ALA C C 11 177.715 177.715 177.485 0.230 18714 6522 1 17 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.112 0.413 18714 6523 1 17 . 1 1 11 11 ALA CB C 11 19.094 19.094 19.189 -0.095 18714 6524 1 17 . 1 1 11 11 ALA H H 11 8.257 8.257 8.314 -0.057 18714 6525 1 17 . 1 1 12 12 LYS N N 12 120.850 120.850 120.193 0.657 18714 6526 1 17 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.260 0.065 18714 6527 1 17 . 1 1 12 12 LYS C C 12 176.655 176.655 175.997 0.658 18714 6528 1 17 . 1 1 12 12 LYS CA C 12 56.114 56.114 55.272 0.842 18714 6529 1 17 . 1 1 12 12 LYS CB C 12 32.985 32.985 31.256 1.729 18714 6530 1 17 . 1 1 12 12 LYS H H 12 8.217 8.217 7.754 0.463 18714 6531 1 17 . 1 1 13 13 LYS N N 13 122.258 122.258 128.339 -6.081 18714 6532 1 17 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.420 0.188 18714 6533 1 17 . 1 1 13 13 LYS C C 13 177.005 177.005 177.087 -0.082 18714 6534 1 17 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.364 -0.489 18714 6535 1 17 . 1 1 13 13 LYS CB C 13 33.731 33.731 32.514 1.217 18714 6536 1 17 . 1 1 13 13 LYS H H 13 8.317 8.317 8.184 0.133 18714 6537 1 17 . 1 1 14 14 THR N N 14 113.409 113.409 118.458 -5.049 18714 6538 1 17 . 1 1 14 14 THR HA H 14 4.387 4.387 4.408 -0.021 18714 6539 1 17 . 1 1 14 14 THR C C 14 175.215 175.215 175.520 -0.305 18714 6540 1 17 . 1 1 14 14 THR CA C 14 61.057 61.057 61.873 -0.816 18714 6541 1 17 . 1 1 14 14 THR CB C 14 70.754 70.754 70.620 0.134 18714 6542 1 17 . 1 1 14 14 THR H H 14 8.747 8.747 8.320 0.427 18714 6543 1 17 . 1 1 15 15 LYS N N 15 120.711 120.711 122.921 -2.210 18714 6544 1 17 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.930 0.033 18714 6545 1 17 . 1 1 15 15 LYS C C 15 178.898 178.898 178.518 0.380 18714 6546 1 17 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.991 -0.404 18714 6547 1 17 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.302 -0.286 18714 6548 1 17 . 1 1 15 15 LYS H H 15 8.804 8.804 8.897 -0.093 18714 6549 1 17 . 1 1 16 16 GLU N N 16 119.447 119.447 117.312 2.135 18714 6550 1 17 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.039 0.004 18714 6551 1 17 . 1 1 16 16 GLU C C 16 179.536 179.536 178.905 0.631 18714 6552 1 17 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.390 0.721 18714 6553 1 17 . 1 1 16 16 GLU CB C 16 28.697 28.697 28.963 -0.266 18714 6554 1 17 . 1 1 16 16 GLU H H 16 8.715 8.715 8.555 0.160 18714 6555 1 17 . 1 1 17 17 GLN N N 17 119.610 119.610 119.041 0.569 18714 6556 1 17 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.930 -0.069 18714 6557 1 17 . 1 1 17 17 GLN C C 17 177.725 177.725 178.242 -0.517 18714 6558 1 17 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.563 0.322 18714 6559 1 17 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.897 -0.196 18714 6560 1 17 . 1 1 17 17 GLN H H 17 7.811 7.811 7.319 0.492 18714 6561 1 17 . 1 1 18 18 LEU N N 18 116.893 116.893 119.793 -2.900 18714 6562 1 17 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.515 0.069 18714 6563 1 17 . 1 1 18 18 LEU C C 18 178.250 178.250 178.747 -0.497 18714 6564 1 17 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.529 -0.300 18714 6565 1 17 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.309 0.354 18714 6566 1 17 . 1 1 18 18 LEU H H 18 8.190 8.190 8.177 0.013 18714 6567 1 17 . 1 1 19 19 ALA N N 19 120.561 120.561 121.247 -0.686 18714 6568 1 17 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.886 0.101 18714 6569 1 17 . 1 1 19 19 ALA C C 19 180.071 180.071 179.447 0.624 18714 6570 1 17 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.754 -0.623 18714 6571 1 17 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.778 0.143 18714 6572 1 17 . 1 1 19 19 ALA H H 19 8.013 8.013 7.723 0.290 18714 6573 1 17 . 1 1 20 20 GLU N N 20 115.648 115.648 117.888 -2.240 18714 6574 1 17 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.046 -0.009 18714 6575 1 17 . 1 1 20 20 GLU C C 20 179.526 179.526 179.053 0.473 18714 6576 1 17 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.762 -0.818 18714 6577 1 17 . 1 1 20 20 GLU CB C 20 28.860 28.860 28.945 -0.085 18714 6578 1 17 . 1 1 20 20 GLU H H 20 7.165 7.165 8.088 -0.923 18714 6579 1 17 . 1 1 21 21 LEU N N 21 120.140 120.140 119.722 0.418 18714 6580 1 17 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.717 -0.159 18714 6581 1 17 . 1 1 21 21 LEU C C 21 177.344 177.344 178.646 -1.302 18714 6582 1 17 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.044 0.867 18714 6583 1 17 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.333 -2.501 18714 6584 1 17 . 1 1 21 21 LEU H H 21 7.428 7.428 7.164 0.264 18714 6585 1 17 . 1 1 22 22 LYS N N 22 117.352 117.352 120.361 -3.009 18714 6586 1 17 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.309 -0.333 18714 6587 1 17 . 1 1 22 22 LYS C C 22 178.805 178.805 179.210 -0.405 18714 6588 1 17 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.953 0.329 18714 6589 1 17 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.408 -0.235 18714 6590 1 17 . 1 1 22 22 LYS H H 22 8.021 8.021 7.757 0.264 18714 6591 1 17 . 1 1 23 23 VAL N N 23 117.470 117.470 118.398 -0.928 18714 6592 1 17 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.734 -0.037 18714 6593 1 17 . 1 1 23 23 VAL C C 23 178.291 178.291 177.914 0.377 18714 6594 1 17 . 1 1 23 23 VAL CA C 23 66.421 66.421 65.995 0.426 18714 6595 1 17 . 1 1 23 23 VAL CB C 23 31.710 31.710 31.380 0.330 18714 6596 1 17 . 1 1 23 23 VAL H H 23 7.618 7.618 7.773 -0.155 18714 6597 1 17 . 1 1 24 24 SER N N 24 113.371 113.371 115.290 -1.919 18714 6598 1 17 . 1 1 24 24 SER HA H 24 4.247 4.247 4.211 0.036 18714 6599 1 17 . 1 1 24 24 SER C C 24 177.015 177.015 176.441 0.574 18714 6600 1 17 . 1 1 24 24 SER CA C 24 61.550 61.550 61.838 -0.288 18714 6601 1 17 . 1 1 24 24 SER CB C 24 62.987 62.987 63.377 -0.390 18714 6602 1 17 . 1 1 24 24 SER H H 24 7.340 7.340 7.650 -0.310 18714 6603 1 17 . 1 1 25 25 TYR N N 25 120.532 120.532 123.357 -2.825 18714 6604 1 17 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.703 -0.451 18714 6605 1 17 . 1 1 25 25 TYR C C 25 176.470 176.470 177.387 -0.917 18714 6606 1 17 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.399 0.396 18714 6607 1 17 . 1 1 25 25 TYR CB C 25 38.611 38.611 39.022 -0.410 18714 6608 1 17 . 1 1 25 25 TYR H H 25 8.888 8.888 8.149 0.739 18714 6609 1 17 . 1 1 26 26 LEU N N 26 115.079 115.079 117.647 -2.568 18714 6610 1 17 . 1 1 26 26 LEU HA H 26 4.035 4.035 4.052 -0.017 18714 6611 1 17 . 1 1 26 26 LEU C C 26 179.021 179.021 178.320 0.701 18714 6612 1 17 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.862 -0.012 18714 6613 1 17 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.759 0.224 18714 6614 1 17 . 1 1 26 26 LEU H H 26 7.953 7.953 8.334 -0.381 18714 6615 1 17 . 1 1 27 27 LYS N N 27 119.058 119.058 117.778 1.280 18714 6616 1 17 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.333 -0.164 18714 6617 1 17 . 1 1 27 27 LYS C C 27 177.375 177.375 176.197 1.178 18714 6618 1 17 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.092 1.409 18714 6619 1 17 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.742 -1.109 18714 6620 1 17 . 1 1 27 27 LYS H H 27 7.503 7.503 7.736 -0.233 18714 6621 1 17 . 1 1 28 28 ASN N N 28 116.296 116.296 116.579 -0.283 18714 6622 1 17 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.707 -0.187 18714 6623 1 17 . 1 1 28 28 ASN C C 28 174.134 174.134 174.667 -0.533 18714 6624 1 17 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.249 1.456 18714 6625 1 17 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.273 -0.907 18714 6626 1 17 . 1 1 28 28 ASN H H 28 8.163 8.163 8.145 0.018 18714 6627 1 17 . 1 1 29 29 GLN N N 29 123.819 123.819 121.071 2.748 18714 6628 1 17 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.681 0.169 18714 6629 1 17 . 1 1 29 29 GLN C C 29 173.785 173.785 173.628 0.157 18714 6630 1 17 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.595 0.007 18714 6631 1 17 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.633 -0.403 18714 6632 1 17 . 1 1 29 29 GLN H H 29 8.560 8.560 8.418 0.142 18714 6633 1 17 . 1 1 30 30 PHE N N 30 116.997 116.997 117.075 -0.078 18714 6634 1 17 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.772 -0.030 18714 6635 1 17 . 1 1 30 30 PHE CA C 30 53.470 53.470 53.510 -0.040 18714 6636 1 17 . 1 1 30 30 PHE CB C 30 39.136 39.136 38.748 0.388 18714 6637 1 17 . 1 1 30 30 PHE H H 30 8.014 8.014 7.551 0.463 18714 6638 1 17 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.705 -0.726 18714 6639 1 17 . 1 1 31 31 PRO C C 31 177.285 177.285 176.049 1.236 18714 6640 1 17 . 1 1 31 31 PRO CA C 31 62.264 62.264 61.772 0.492 18714 6641 1 17 . 1 1 31 31 PRO CB C 31 30.777 30.777 33.978 -3.201 18714 6642 1 17 . 1 1 32 32 HIS N N 32 120.779 120.779 118.551 2.228 18714 6643 1 17 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.637 -0.062 18714 6644 1 17 . 1 1 32 32 HIS C C 32 176.601 176.601 176.417 0.184 18714 6645 1 17 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.513 -1.097 18714 6646 1 17 . 1 1 32 32 HIS CB C 32 31.396 31.396 31.600 -0.204 18714 6647 1 17 . 1 1 32 32 HIS H H 32 8.401 8.401 8.586 -0.185 18714 6648 1 17 . 1 1 33 33 ASP N N 33 124.390 124.390 125.035 -0.645 18714 6649 1 17 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.358 -0.082 18714 6650 1 17 . 1 1 33 33 ASP C C 33 178.064 178.064 177.844 0.220 18714 6651 1 17 . 1 1 33 33 ASP CA C 33 58.486 58.486 58.033 0.453 18714 6652 1 17 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.862 -0.411 18714 6653 1 17 . 1 1 33 33 ASP H H 33 8.691 8.691 8.870 -0.179 18714 6654 1 17 . 1 1 34 34 SER N N 34 114.256 114.256 115.462 -1.206 18714 6655 1 17 . 1 1 34 34 SER HA H 34 4.109 4.109 4.156 -0.047 18714 6656 1 17 . 1 1 34 34 SER C C 34 176.645 176.645 176.175 0.470 18714 6657 1 17 . 1 1 34 34 SER CA C 34 60.282 60.282 61.229 -0.947 18714 6658 1 17 . 1 1 34 34 SER CB C 34 61.931 61.931 62.865 -0.935 18714 6659 1 17 . 1 1 34 34 SER H H 34 9.494 9.494 8.632 0.862 18714 6660 1 17 . 1 1 35 35 GLU N N 35 126.075 126.075 122.437 3.638 18714 6661 1 17 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.144 0.759 18714 6662 1 17 . 1 1 35 35 GLU C C 35 177.715 177.715 178.753 -1.038 18714 6663 1 17 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.241 -2.357 18714 6664 1 17 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.518 -0.997 18714 6665 1 17 . 1 1 35 35 GLU H H 35 7.493 7.493 8.278 -0.785 18714 6666 1 17 . 1 1 36 36 ILE N N 36 120.906 120.906 120.036 0.870 18714 6667 1 17 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.810 -0.207 18714 6668 1 17 . 1 1 36 36 ILE C C 36 177.725 177.725 178.241 -0.516 18714 6669 1 17 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.086 -0.141 18714 6670 1 17 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.983 -2.110 18714 6671 1 17 . 1 1 36 36 ILE H H 36 7.697 7.697 7.869 -0.172 18714 6672 1 17 . 1 1 37 37 ILE N N 37 119.451 119.451 119.887 -0.436 18714 6673 1 17 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.594 0.365 18714 6674 1 17 . 1 1 37 37 ILE C C 37 178.085 178.085 177.956 0.129 18714 6675 1 17 . 1 1 37 37 ILE CA C 37 64.734 64.734 65.442 -0.708 18714 6676 1 17 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.411 0.370 18714 6677 1 17 . 1 1 37 37 ILE H H 37 8.229 8.229 7.851 0.378 18714 6678 1 17 . 1 1 38 38 ARG N N 38 122.344 122.344 120.127 2.217 18714 6679 1 17 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.077 -0.109 18714 6680 1 17 . 1 1 38 38 ARG C C 38 179.165 179.165 178.701 0.464 18714 6681 1 17 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.458 0.463 18714 6682 1 17 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.156 0.507 18714 6683 1 17 . 1 1 38 38 ARG H H 38 7.664 7.664 7.659 0.005 18714 6684 1 17 . 1 1 39 39 LEU N N 39 117.479 117.479 120.080 -2.601 18714 6685 1 17 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.904 0.122 18714 6686 1 17 . 1 1 39 39 LEU C C 39 181.316 181.316 179.139 2.177 18714 6687 1 17 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.770 -0.190 18714 6688 1 17 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.728 1.656 18714 6689 1 17 . 1 1 39 39 LEU H H 39 8.629 8.629 8.012 0.617 18714 6690 1 17 . 1 1 40 40 MET N N 40 126.468 126.468 117.655 8.813 18714 6691 1 17 . 1 1 40 40 MET HA H 40 3.957 3.957 4.043 -0.086 18714 6692 1 17 . 1 1 40 40 MET C C 40 178.466 178.466 178.740 -0.274 18714 6693 1 17 . 1 1 40 40 MET CA C 40 60.109 60.109 59.324 0.785 18714 6694 1 17 . 1 1 40 40 MET CB C 40 34.065 34.065 32.205 1.860 18714 6695 1 17 . 1 1 40 40 MET H H 40 9.112 9.112 8.073 1.039 18714 6696 1 17 . 1 1 41 41 LYS N N 41 119.282 119.282 119.184 0.098 18714 6697 1 17 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.102 -0.062 18714 6698 1 17 . 1 1 41 41 LYS C C 41 178.805 178.805 178.614 0.191 18714 6699 1 17 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.554 0.660 18714 6700 1 17 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.017 0.110 18714 6701 1 17 . 1 1 41 41 LYS H H 41 7.721 7.721 7.434 0.287 18714 6702 1 17 . 1 1 42 42 ILE N N 42 114.582 114.582 119.439 -4.857 18714 6703 1 17 . 1 1 42 42 ILE HA H 42 4.150 4.150 3.986 0.164 18714 6704 1 17 . 1 1 42 42 ILE C C 42 177.365 177.365 178.140 -0.775 18714 6705 1 17 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.239 -0.522 18714 6706 1 17 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.553 1.277 18714 6707 1 17 . 1 1 42 42 ILE H H 42 7.804 7.804 8.006 -0.202 18714 6708 1 17 . 1 1 43 43 THR N N 43 107.511 107.511 111.954 -4.443 18714 6709 1 17 . 1 1 43 43 THR HA H 43 4.536 4.536 4.219 0.317 18714 6710 1 17 . 1 1 43 43 THR C C 43 176.120 176.120 176.111 0.009 18714 6711 1 17 . 1 1 43 43 THR CA C 43 63.136 63.136 63.500 -0.364 18714 6712 1 17 . 1 1 43 43 THR CB C 43 72.060 72.060 69.920 2.140 18714 6713 1 17 . 1 1 43 43 THR H H 43 8.313 8.313 8.114 0.199 18714 6714 1 17 . 1 1 44 44 GLY N N 44 111.235 111.235 109.810 1.425 18714 6715 1 17 . 1 1 44 44 GLY C C 44 174.134 174.134 174.540 -0.406 18714 6716 1 17 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.835 0.970 18714 6717 1 17 . 1 1 44 44 GLY H H 44 8.055 8.055 7.830 0.225 18714 6718 1 17 . 1 1 45 45 LEU N N 45 120.586 120.586 120.230 0.356 18714 6719 1 17 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.694 -0.189 18714 6720 1 17 . 1 1 45 45 LEU C C 45 176.634 176.634 176.680 -0.046 18714 6721 1 17 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.914 -0.157 18714 6722 1 17 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.870 0.436 18714 6723 1 17 . 1 1 45 45 LEU H H 45 7.708 7.708 7.758 -0.050 18714 6724 1 17 . 1 1 46 46 THR N N 46 109.308 109.308 106.646 2.662 18714 6725 1 17 . 1 1 46 46 THR HA H 46 4.325 4.325 4.504 -0.179 18714 6726 1 17 . 1 1 46 46 THR C C 46 175.215 175.215 175.500 -0.285 18714 6727 1 17 . 1 1 46 46 THR CA C 46 60.914 60.914 60.570 0.344 18714 6728 1 17 . 1 1 46 46 THR CB C 46 71.237 71.237 70.602 0.635 18714 6729 1 17 . 1 1 46 46 THR H H 46 8.570 8.570 7.945 0.625 18714 6730 1 17 . 1 1 47 47 LYS N N 47 121.342 121.342 122.473 -1.131 18714 6731 1 17 . 1 1 47 47 LYS HA H 47 3.685 3.685 4.054 -0.369 18714 6732 1 17 . 1 1 47 47 LYS C C 47 178.805 178.805 178.823 -0.018 18714 6733 1 17 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.529 1.263 18714 6734 1 17 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.146 0.188 18714 6735 1 17 . 1 1 47 47 LYS H H 47 8.797 8.797 8.792 0.005 18714 6736 1 17 . 1 1 48 48 GLY N N 48 104.143 104.143 106.164 -2.021 18714 6737 1 17 . 1 1 48 48 GLY C C 48 177.149 177.149 176.290 0.859 18714 6738 1 17 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.754 0.135 18714 6739 1 17 . 1 1 48 48 GLY H H 48 8.715 8.715 7.973 0.742 18714 6740 1 17 . 1 1 49 49 GLU N N 49 121.943 121.943 122.321 -0.378 18714 6741 1 17 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.098 -0.008 18714 6742 1 17 . 1 1 49 49 GLU C C 49 179.886 179.886 179.244 0.642 18714 6743 1 17 . 1 1 49 49 GLU CA C 49 59.183 59.183 58.741 0.442 18714 6744 1 17 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.146 1.544 18714 6745 1 17 . 1 1 49 49 GLU H H 49 7.851 7.851 7.673 0.178 18714 6746 1 17 . 1 1 50 50 ILE N N 50 121.748 121.748 120.090 1.658 18714 6747 1 17 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.641 0.119 18714 6748 1 17 . 1 1 50 50 ILE C C 50 177.735 177.735 177.971 -0.236 18714 6749 1 17 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.154 0.964 18714 6750 1 17 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.630 0.482 18714 6751 1 17 . 1 1 50 50 ILE H H 50 8.224 8.224 7.658 0.566 18714 6752 1 17 . 1 1 51 51 LYS N N 51 119.119 119.119 120.058 -0.939 18714 6753 1 17 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.491 -0.430 18714 6754 1 17 . 1 1 51 51 LYS C C 51 179.526 179.526 179.258 0.268 18714 6755 1 17 . 1 1 51 51 LYS CA C 51 61.120 61.120 58.560 2.560 18714 6756 1 17 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.022 -0.126 18714 6757 1 17 . 1 1 51 51 LYS H H 51 8.842 8.842 7.717 1.125 18714 6758 1 17 . 1 1 52 52 LYS N N 52 120.252 120.252 120.209 0.043 18714 6759 1 17 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.038 0.156 18714 6760 1 17 . 1 1 52 52 LYS C C 52 176.830 176.830 178.890 -2.060 18714 6761 1 17 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.527 -0.777 18714 6762 1 17 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.242 0.145 18714 6763 1 17 . 1 1 52 52 LYS H H 52 8.208 8.208 8.204 0.004 18714 6764 1 17 . 1 1 53 53 TRP N N 53 120.333 120.333 122.232 -1.899 18714 6765 1 17 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.221 -0.032 18714 6766 1 17 . 1 1 53 53 TRP C C 53 180.266 180.266 177.922 2.344 18714 6767 1 17 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.523 1.196 18714 6768 1 17 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.300 -1.146 18714 6769 1 17 . 1 1 53 53 TRP H H 53 8.132 8.132 7.876 0.256 18714 6770 1 17 . 1 1 54 54 PHE N N 54 120.742 120.742 117.301 3.441 18714 6771 1 17 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.993 -0.279 18714 6772 1 17 . 1 1 54 54 PHE C C 54 177.488 177.488 178.331 -0.843 18714 6773 1 17 . 1 1 54 54 PHE CA C 54 63.893 63.893 61.706 2.187 18714 6774 1 17 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.461 0.942 18714 6775 1 17 . 1 1 54 54 PHE H H 54 8.903 8.903 8.190 0.713 18714 6776 1 17 . 1 1 55 55 SER N N 55 113.136 113.136 114.289 -1.153 18714 6777 1 17 . 1 1 55 55 SER HA H 55 4.063 4.063 4.154 -0.091 18714 6778 1 17 . 1 1 55 55 SER C C 55 177.571 177.571 176.837 0.734 18714 6779 1 17 . 1 1 55 55 SER CA C 55 62.419 62.419 61.945 0.474 18714 6780 1 17 . 1 1 55 55 SER CB C 55 62.673 62.673 62.730 -0.057 18714 6781 1 17 . 1 1 55 55 SER H H 55 8.136 8.136 8.047 0.089 18714 6782 1 17 . 1 1 56 56 ASP N N 56 122.871 122.871 121.599 1.272 18714 6783 1 17 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.461 -0.163 18714 6784 1 17 . 1 1 56 56 ASP C C 56 178.085 178.085 178.188 -0.103 18714 6785 1 17 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.056 -0.092 18714 6786 1 17 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.930 -1.209 18714 6787 1 17 . 1 1 56 56 ASP H H 56 9.091 9.091 7.785 1.306 18714 6788 1 17 . 1 1 57 57 THR N N 57 118.957 118.957 117.221 1.736 18714 6789 1 17 . 1 1 57 57 THR HA H 57 3.335 3.335 3.898 -0.563 18714 6790 1 17 . 1 1 57 57 THR C C 57 175.925 175.925 175.938 -0.013 18714 6791 1 17 . 1 1 57 57 THR CA C 57 67.064 67.064 65.756 1.308 18714 6792 1 17 . 1 1 57 57 THR CB C 57 67.387 67.387 67.745 -0.358 18714 6793 1 17 . 1 1 57 57 THR H H 57 7.926 7.926 7.779 0.147 18714 6794 1 17 . 1 1 58 58 ARG N N 58 120.980 120.980 122.172 -1.192 18714 6795 1 17 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.141 0.060 18714 6796 1 17 . 1 1 58 58 ARG C C 58 179.536 179.536 178.341 1.195 18714 6797 1 17 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.362 0.614 18714 6798 1 17 . 1 1 58 58 ARG CB C 58 31.394 31.394 30.161 1.233 18714 6799 1 17 . 1 1 58 58 ARG H H 58 8.139 8.139 7.498 0.641 18714 6800 1 17 . 1 1 59 59 TYR N N 59 119.449 119.449 119.864 -0.415 18714 6801 1 17 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.159 -0.015 18714 6802 1 17 . 1 1 59 59 TYR C C 59 178.075 178.075 176.743 1.332 18714 6803 1 17 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.378 -0.058 18714 6804 1 17 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.397 -0.395 18714 6805 1 17 . 1 1 59 59 TYR H H 59 8.004 8.004 7.536 0.468 18714 6806 1 17 . 1 1 60 60 ASN N N 60 118.169 118.169 115.694 2.475 18714 6807 1 17 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.211 0.143 18714 6808 1 17 . 1 1 60 60 ASN C C 60 177.005 177.005 176.915 0.090 18714 6809 1 17 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.512 -0.352 18714 6810 1 17 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.154 0.138 18714 6811 1 17 . 1 1 60 60 ASN H H 60 8.354 8.354 7.545 0.809 18714 6812 1 17 . 1 1 61 61 GLN N N 61 118.671 118.671 115.845 2.826 18714 6813 1 17 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.153 -0.012 18714 6814 1 17 . 1 1 61 61 GLN C C 61 177.046 177.046 176.977 0.069 18714 6815 1 17 . 1 1 61 61 GLN CA C 61 57.217 57.217 56.872 0.345 18714 6816 1 17 . 1 1 61 61 GLN CB C 61 28.466 28.466 29.137 -0.671 18714 6817 1 17 . 1 1 61 61 GLN H H 61 7.971 7.971 7.767 0.204 18714 6818 1 17 . 1 1 62 62 ARG N N 62 119.140 119.140 114.826 4.314 18714 6819 1 17 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.391 -0.202 18714 6820 1 17 . 1 1 62 62 ARG C C 62 176.655 176.655 176.217 0.438 18714 6821 1 17 . 1 1 62 62 ARG CA C 62 57.462 57.462 55.423 2.039 18714 6822 1 17 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.413 -0.517 18714 6823 1 17 . 1 1 62 62 ARG H H 62 7.690 7.690 7.247 0.443 18714 6824 1 17 . 1 1 63 63 ASN N N 63 117.472 117.472 120.073 -2.601 18714 6825 1 17 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.274 0.460 18714 6826 1 17 . 1 1 63 63 ASN C C 63 175.194 175.194 174.037 1.157 18714 6827 1 17 . 1 1 63 63 ASN CA C 63 53.141 53.141 53.089 0.052 18714 6828 1 17 . 1 1 63 63 ASN CB C 63 38.875 38.875 39.367 -0.492 18714 6829 1 17 . 1 1 63 63 ASN H H 63 8.003 8.003 7.479 0.524 18714 6830 1 17 . 1 1 64 64 SER N N 64 115.768 115.768 120.113 -4.345 18714 6831 1 17 . 1 1 64 64 SER HA H 64 4.402 4.402 4.451 -0.049 18714 6832 1 17 . 1 1 64 64 SER C C 64 174.721 174.721 174.202 0.519 18714 6833 1 17 . 1 1 64 64 SER CA C 64 58.758 58.758 58.745 0.014 18714 6834 1 17 . 1 1 64 64 SER CB C 64 63.620 63.620 63.685 -0.065 18714 6835 1 17 . 1 1 64 64 SER H H 64 7.942 7.942 8.516 -0.574 18714 6836 1 17 . 1 1 65 65 LYS N N 65 122.579 122.579 128.883 -6.304 18714 6837 1 17 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.312 -0.002 18714 6838 1 17 . 1 1 65 65 LYS C C 65 176.665 176.665 176.286 0.379 18714 6839 1 17 . 1 1 65 65 LYS CA C 65 56.366 56.366 55.797 0.569 18714 6840 1 17 . 1 1 65 65 LYS CB C 65 33.054 33.054 31.169 1.885 18714 6841 1 17 . 1 1 65 65 LYS H H 65 8.319 8.319 8.635 -0.316 18714 6842 1 17 . 1 1 66 66 SER N N 66 115.560 115.560 120.433 -4.873 18714 6843 1 17 . 1 1 66 66 SER HA H 66 4.425 4.425 4.465 -0.040 18714 6844 1 17 . 1 1 66 66 SER CA C 66 58.577 58.577 58.487 0.090 18714 6845 1 17 . 1 1 66 66 SER CB C 66 63.670 63.670 63.825 -0.155 18714 6846 1 17 . 1 1 66 66 SER H H 66 8.184 8.184 8.289 -0.105 18714 6847 1 17 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.433 0.270 18714 6848 1 17 . 1 1 67 67 ASN C C 67 175.196 175.196 176.572 -1.376 18714 6849 1 17 . 1 1 67 67 ASN CA C 67 53.417 53.417 53.806 -0.389 18714 6850 1 17 . 1 1 67 67 ASN CB C 67 38.593 38.593 37.894 0.699 18714 6851 1 17 . 1 1 68 68 GLN N N 68 120.106 120.106 120.806 -0.700 18714 6852 1 17 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.163 0.140 18714 6853 1 17 . 1 1 68 68 GLN C C 68 175.708 175.708 176.476 -0.768 18714 6854 1 17 . 1 1 68 68 GLN CA C 68 56.172 56.172 57.798 -1.626 18714 6855 1 17 . 1 1 68 68 GLN CB C 68 29.172 29.172 28.659 0.513 18714 6856 1 17 . 1 1 68 68 GLN H H 68 8.283 8.283 8.818 -0.535 18714 6857 1 17 . 1 1 69 69 CYS N N 69 119.599 119.599 115.325 4.274 18714 6858 1 17 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.280 0.124 18714 6859 1 17 . 1 1 69 69 CYS C C 69 174.412 174.412 175.814 -1.402 18714 6860 1 17 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.444 -0.751 18714 6861 1 17 . 1 1 69 69 CYS CB C 69 27.610 27.610 26.703 0.907 18714 6862 1 17 . 1 1 69 69 CYS H H 69 8.313 8.313 8.057 0.256 18714 6863 1 17 . 1 1 70 70 LEU N N 70 123.832 123.832 120.920 2.912 18714 6864 1 17 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.217 0.050 18714 6865 1 17 . 1 1 70 70 LEU C C 70 176.645 176.645 177.904 -1.259 18714 6866 1 17 . 1 1 70 70 LEU CA C 70 55.283 55.283 56.950 -1.667 18714 6867 1 17 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.030 0.229 18714 6868 1 17 . 1 1 70 70 LEU H H 70 8.201 8.201 7.908 0.293 18714 6869 1 17 . 1 1 71 71 HIS N N 71 119.423 119.423 118.128 1.295 18714 6870 1 17 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.400 0.248 18714 6871 1 17 . 1 1 71 71 HIS C C 71 174.494 174.494 173.434 1.060 18714 6872 1 17 . 1 1 71 71 HIS CA C 71 55.424 55.424 56.691 -1.267 18714 6873 1 17 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.383 0.304 18714 6874 1 17 . 1 1 71 71 HIS H H 71 8.308 8.308 8.200 0.108 18714 6875 1 17 . 1 1 72 72 LEU N N 72 122.990 122.990 123.981 -0.991 18714 6876 1 17 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.403 -0.070 18714 6877 1 17 . 1 1 72 72 LEU C C 72 176.645 176.645 175.958 0.687 18714 6878 1 17 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.928 0.053 18714 6879 1 17 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.631 -0.450 18714 6880 1 17 . 1 1 72 72 LEU H H 72 8.146 8.146 8.030 0.116 18714 6881 1 17 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.927 -0.194 18714 6882 1 17 . 1 1 73 73 ASN C C 73 173.774 173.774 173.961 -0.187 18714 6883 1 17 . 1 1 73 73 ASN CA C 73 53.033 53.033 52.797 0.236 18714 6884 1 17 . 1 1 73 73 ASN CB C 73 38.928 38.928 39.700 -0.772 18714 6885 1 17 . 1 1 73 73 ASN H H 73 8.428 8.428 8.548 -0.120 18714 6886 1 18 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.424 -0.040 18714 6887 1 18 . 1 1 4 4 PRO C C 4 176.388 176.388 176.238 0.150 18714 6888 1 18 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.832 0.265 18714 6889 1 18 . 1 1 4 4 PRO CB C 4 32.056 32.056 32.196 -0.140 18714 6890 1 18 . 1 1 5 5 ASP N N 5 120.482 120.482 118.657 1.825 18714 6891 1 18 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.401 0.143 18714 6892 1 18 . 1 1 5 5 ASP C C 5 176.336 176.336 175.624 0.712 18714 6893 1 18 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.883 -0.561 18714 6894 1 18 . 1 1 5 5 ASP CB C 5 41.006 41.006 39.787 1.219 18714 6895 1 18 . 1 1 5 5 ASP H H 5 8.415 8.415 8.593 -0.178 18714 6896 1 18 . 1 1 6 6 SER N N 6 115.481 115.481 114.168 1.313 18714 6897 1 18 . 1 1 6 6 SER HA H 6 4.326 4.326 4.397 -0.071 18714 6898 1 18 . 1 1 6 6 SER C C 6 174.494 174.494 175.048 -0.554 18714 6899 1 18 . 1 1 6 6 SER CA C 6 58.559 58.559 58.280 0.279 18714 6900 1 18 . 1 1 6 6 SER CB C 6 63.461 63.461 63.830 -0.369 18714 6901 1 18 . 1 1 6 6 SER H H 6 8.146 8.146 8.051 0.095 18714 6902 1 18 . 1 1 7 7 PHE N N 7 121.475 121.475 125.075 -3.600 18714 6903 1 18 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.485 0.074 18714 6904 1 18 . 1 1 7 7 PHE C C 7 176.285 176.285 175.791 0.494 18714 6905 1 18 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.975 0.252 18714 6906 1 18 . 1 1 7 7 PHE CB C 7 39.213 39.213 39.103 0.110 18714 6907 1 18 . 1 1 7 7 PHE H H 7 8.236 8.236 8.642 -0.406 18714 6908 1 18 . 1 1 8 8 GLY N N 8 109.715 109.715 114.600 -4.885 18714 6909 1 18 . 1 1 8 8 GLY C C 8 174.124 174.124 173.502 0.622 18714 6910 1 18 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.193 1.173 18714 6911 1 18 . 1 1 8 8 GLY H H 8 8.256 8.256 7.846 0.410 18714 6912 1 18 . 1 1 9 9 ILE N N 9 120.361 120.361 121.897 -1.536 18714 6913 1 18 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.011 0.101 18714 6914 1 18 . 1 1 9 9 ILE C C 9 176.429 176.429 175.834 0.595 18714 6915 1 18 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.097 0.356 18714 6916 1 18 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.721 0.665 18714 6917 1 18 . 1 1 9 9 ILE H H 9 7.975 7.975 7.938 0.037 18714 6918 1 18 . 1 1 10 10 ARG N N 10 124.698 124.698 131.021 -6.323 18714 6919 1 18 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.152 0.174 18714 6920 1 18 . 1 1 10 10 ARG C C 10 175.925 175.925 176.321 -0.396 18714 6921 1 18 . 1 1 10 10 ARG CA C 10 55.824 55.824 57.480 -1.656 18714 6922 1 18 . 1 1 10 10 ARG CB C 10 30.482 30.482 30.913 -0.431 18714 6923 1 18 . 1 1 10 10 ARG H H 10 8.407 8.407 8.418 -0.011 18714 6924 1 18 . 1 1 11 11 ALA N N 11 124.966 124.966 118.679 6.287 18714 6925 1 18 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.436 -0.163 18714 6926 1 18 . 1 1 11 11 ALA C C 11 177.715 177.715 175.440 2.275 18714 6927 1 18 . 1 1 11 11 ALA CA C 11 52.525 52.525 51.690 0.835 18714 6928 1 18 . 1 1 11 11 ALA CB C 11 19.094 19.094 19.653 -0.559 18714 6929 1 18 . 1 1 11 11 ALA H H 11 8.257 8.257 8.068 0.189 18714 6930 1 18 . 1 1 12 12 LYS N N 12 120.850 120.850 121.237 -0.387 18714 6931 1 18 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.253 0.072 18714 6932 1 18 . 1 1 12 12 LYS C C 12 176.655 176.655 175.784 0.871 18714 6933 1 18 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.664 -0.550 18714 6934 1 18 . 1 1 12 12 LYS CB C 12 32.985 32.985 32.018 0.967 18714 6935 1 18 . 1 1 12 12 LYS H H 12 8.217 8.217 8.085 0.132 18714 6936 1 18 . 1 1 13 13 LYS N N 13 122.258 122.258 121.813 0.445 18714 6937 1 18 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.114 0.494 18714 6938 1 18 . 1 1 13 13 LYS C C 13 177.005 177.005 176.076 0.929 18714 6939 1 18 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.711 -0.835 18714 6940 1 18 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.394 2.337 18714 6941 1 18 . 1 1 13 13 LYS H H 13 8.317 8.317 8.727 -0.410 18714 6942 1 18 . 1 1 14 14 THR N N 14 113.409 113.409 114.909 -1.500 18714 6943 1 18 . 1 1 14 14 THR HA H 14 4.387 4.387 4.399 -0.012 18714 6944 1 18 . 1 1 14 14 THR C C 14 175.215 175.215 175.816 -0.601 18714 6945 1 18 . 1 1 14 14 THR CA C 14 61.057 61.057 62.096 -1.038 18714 6946 1 18 . 1 1 14 14 THR CB C 14 70.754 70.754 70.396 0.358 18714 6947 1 18 . 1 1 14 14 THR H H 14 8.747 8.747 8.509 0.238 18714 6948 1 18 . 1 1 15 15 LYS N N 15 120.711 120.711 122.221 -1.510 18714 6949 1 18 . 1 1 15 15 LYS HA H 15 3.963 3.963 3.980 -0.017 18714 6950 1 18 . 1 1 15 15 LYS C C 15 178.898 178.898 178.961 -0.063 18714 6951 1 18 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.880 -0.293 18714 6952 1 18 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.090 -0.074 18714 6953 1 18 . 1 1 15 15 LYS H H 15 8.804 8.804 8.796 0.008 18714 6954 1 18 . 1 1 16 16 GLU N N 16 119.447 119.447 118.981 0.466 18714 6955 1 18 . 1 1 16 16 GLU HA H 16 4.043 4.043 3.959 0.084 18714 6956 1 18 . 1 1 16 16 GLU C C 16 179.536 179.536 178.757 0.779 18714 6957 1 18 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.691 0.420 18714 6958 1 18 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.291 -0.594 18714 6959 1 18 . 1 1 16 16 GLU H H 16 8.715 8.715 8.544 0.171 18714 6960 1 18 . 1 1 17 17 GLN N N 17 119.610 119.610 118.919 0.691 18714 6961 1 18 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.948 -0.087 18714 6962 1 18 . 1 1 17 17 GLN C C 17 177.725 177.725 178.229 -0.504 18714 6963 1 18 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.618 0.267 18714 6964 1 18 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.900 -0.199 18714 6965 1 18 . 1 1 17 17 GLN H H 17 7.811 7.811 7.456 0.355 18714 6966 1 18 . 1 1 18 18 LEU N N 18 116.893 116.893 120.309 -3.416 18714 6967 1 18 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.395 0.189 18714 6968 1 18 . 1 1 18 18 LEU C C 18 178.250 178.250 178.195 0.055 18714 6969 1 18 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.461 -0.233 18714 6970 1 18 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.826 -0.163 18714 6971 1 18 . 1 1 18 18 LEU H H 18 8.190 8.190 8.283 -0.093 18714 6972 1 18 . 1 1 19 19 ALA N N 19 120.561 120.561 121.295 -0.734 18714 6973 1 18 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.903 0.084 18714 6974 1 18 . 1 1 19 19 ALA C C 19 180.071 180.071 179.251 0.820 18714 6975 1 18 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.794 -0.663 18714 6976 1 18 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.663 0.258 18714 6977 1 18 . 1 1 19 19 ALA H H 19 8.013 8.013 7.770 0.243 18714 6978 1 18 . 1 1 20 20 GLU N N 20 115.648 115.648 118.447 -2.799 18714 6979 1 18 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.023 0.014 18714 6980 1 18 . 1 1 20 20 GLU C C 20 179.526 179.526 179.139 0.387 18714 6981 1 18 . 1 1 20 20 GLU CA C 20 57.944 57.944 59.007 -1.063 18714 6982 1 18 . 1 1 20 20 GLU CB C 20 28.860 28.860 28.942 -0.082 18714 6983 1 18 . 1 1 20 20 GLU H H 20 7.165 7.165 7.851 -0.686 18714 6984 1 18 . 1 1 21 21 LEU N N 21 120.140 120.140 119.741 0.399 18714 6985 1 18 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.857 -0.299 18714 6986 1 18 . 1 1 21 21 LEU C C 21 177.344 177.344 178.927 -1.583 18714 6987 1 18 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.247 0.664 18714 6988 1 18 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.391 -2.559 18714 6989 1 18 . 1 1 21 21 LEU H H 21 7.428 7.428 7.812 -0.384 18714 6990 1 18 . 1 1 22 22 LYS N N 22 117.352 117.352 119.709 -2.357 18714 6991 1 18 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.251 -0.275 18714 6992 1 18 . 1 1 22 22 LYS C C 22 178.805 178.805 179.305 -0.500 18714 6993 1 18 . 1 1 22 22 LYS CA C 22 60.282 60.282 58.855 1.427 18714 6994 1 18 . 1 1 22 22 LYS CB C 22 32.174 32.174 31.930 0.244 18714 6995 1 18 . 1 1 22 22 LYS H H 22 8.021 8.021 7.772 0.249 18714 6996 1 18 . 1 1 23 23 VAL N N 23 117.470 117.470 119.408 -1.938 18714 6997 1 18 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.769 -0.072 18714 6998 1 18 . 1 1 23 23 VAL C C 23 178.291 178.291 178.493 -0.202 18714 6999 1 18 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.534 -0.114 18714 7000 1 18 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.971 0.739 18714 7001 1 18 . 1 1 23 23 VAL H H 23 7.618 7.618 8.125 -0.507 18714 7002 1 18 . 1 1 24 24 SER N N 24 113.371 113.371 115.051 -1.680 18714 7003 1 18 . 1 1 24 24 SER HA H 24 4.247 4.247 4.311 -0.064 18714 7004 1 18 . 1 1 24 24 SER C C 24 177.015 177.015 176.705 0.310 18714 7005 1 18 . 1 1 24 24 SER CA C 24 61.550 61.550 61.318 0.232 18714 7006 1 18 . 1 1 24 24 SER CB C 24 62.987 62.987 63.337 -0.350 18714 7007 1 18 . 1 1 24 24 SER H H 24 7.340 7.340 7.962 -0.622 18714 7008 1 18 . 1 1 25 25 TYR N N 25 120.532 120.532 122.889 -2.357 18714 7009 1 18 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.881 -0.629 18714 7010 1 18 . 1 1 25 25 TYR C C 25 176.470 176.470 176.836 -0.366 18714 7011 1 18 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.404 0.391 18714 7012 1 18 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.951 -0.340 18714 7013 1 18 . 1 1 25 25 TYR H H 25 8.888 8.888 7.946 0.942 18714 7014 1 18 . 1 1 26 26 LEU N N 26 115.079 115.079 116.918 -1.839 18714 7015 1 18 . 1 1 26 26 LEU HA H 26 4.035 4.035 4.049 -0.014 18714 7016 1 18 . 1 1 26 26 LEU C C 26 179.021 179.021 178.612 0.409 18714 7017 1 18 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.783 0.067 18714 7018 1 18 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.951 0.032 18714 7019 1 18 . 1 1 26 26 LEU H H 26 7.953 7.953 8.118 -0.165 18714 7020 1 18 . 1 1 27 27 LYS N N 27 119.058 119.058 118.115 0.943 18714 7021 1 18 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.195 -0.026 18714 7022 1 18 . 1 1 27 27 LYS C C 27 177.375 177.375 176.791 0.584 18714 7023 1 18 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.912 0.589 18714 7024 1 18 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.448 -0.815 18714 7025 1 18 . 1 1 27 27 LYS H H 27 7.503 7.503 7.740 -0.237 18714 7026 1 18 . 1 1 28 28 ASN N N 28 116.296 116.296 115.616 0.680 18714 7027 1 18 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.901 -0.381 18714 7028 1 18 . 1 1 28 28 ASN C C 28 174.134 174.134 174.862 -0.728 18714 7029 1 18 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.895 0.810 18714 7030 1 18 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.986 -0.620 18714 7031 1 18 . 1 1 28 28 ASN H H 28 8.163 8.163 8.019 0.144 18714 7032 1 18 . 1 1 29 29 GLN N N 29 123.819 123.819 122.086 1.733 18714 7033 1 18 . 1 1 29 29 GLN HA H 29 3.850 3.850 4.081 -0.231 18714 7034 1 18 . 1 1 29 29 GLN C C 29 173.785 173.785 175.453 -1.668 18714 7035 1 18 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.415 0.187 18714 7036 1 18 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.811 -0.582 18714 7037 1 18 . 1 1 29 29 GLN H H 29 8.560 8.560 8.591 -0.031 18714 7038 1 18 . 1 1 30 30 PHE N N 30 116.997 116.997 119.056 -2.059 18714 7039 1 18 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.690 0.052 18714 7040 1 18 . 1 1 30 30 PHE CA C 30 53.470 53.470 55.080 -1.610 18714 7041 1 18 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.458 -0.322 18714 7042 1 18 . 1 1 30 30 PHE H H 30 8.014 8.014 7.525 0.489 18714 7043 1 18 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.295 -0.316 18714 7044 1 18 . 1 1 31 31 PRO C C 31 177.285 177.285 176.025 1.260 18714 7045 1 18 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.367 -0.103 18714 7046 1 18 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.162 -1.385 18714 7047 1 18 . 1 1 32 32 HIS N N 32 120.779 120.779 121.910 -1.131 18714 7048 1 18 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.506 0.069 18714 7049 1 18 . 1 1 32 32 HIS C C 32 176.601 176.601 176.548 0.053 18714 7050 1 18 . 1 1 32 32 HIS CA C 32 55.416 55.416 56.912 -1.496 18714 7051 1 18 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.748 0.648 18714 7052 1 18 . 1 1 32 32 HIS H H 32 8.401 8.401 8.206 0.195 18714 7053 1 18 . 1 1 33 33 ASP N N 33 124.390 124.390 122.340 2.050 18714 7054 1 18 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.309 -0.033 18714 7055 1 18 . 1 1 33 33 ASP C C 33 178.064 178.064 178.110 -0.046 18714 7056 1 18 . 1 1 33 33 ASP CA C 33 58.486 58.486 58.283 0.203 18714 7057 1 18 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.816 -0.365 18714 7058 1 18 . 1 1 33 33 ASP H H 33 8.691 8.691 8.822 -0.131 18714 7059 1 18 . 1 1 34 34 SER N N 34 114.256 114.256 115.565 -1.309 18714 7060 1 18 . 1 1 34 34 SER HA H 34 4.109 4.109 4.089 0.020 18714 7061 1 18 . 1 1 34 34 SER C C 34 176.645 176.645 176.526 0.119 18714 7062 1 18 . 1 1 34 34 SER CA C 34 60.282 60.282 61.485 -1.203 18714 7063 1 18 . 1 1 34 34 SER CB C 34 61.931 61.931 63.005 -1.073 18714 7064 1 18 . 1 1 34 34 SER H H 34 9.494 9.494 8.378 1.116 18714 7065 1 18 . 1 1 35 35 GLU N N 35 126.075 126.075 122.074 4.001 18714 7066 1 18 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.154 0.749 18714 7067 1 18 . 1 1 35 35 GLU C C 35 177.715 177.715 178.557 -0.842 18714 7068 1 18 . 1 1 35 35 GLU CA C 35 56.884 56.884 58.707 -1.823 18714 7069 1 18 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.228 -0.707 18714 7070 1 18 . 1 1 35 35 GLU H H 35 7.493 7.493 7.721 -0.228 18714 7071 1 18 . 1 1 36 36 ILE N N 36 120.906 120.906 120.393 0.513 18714 7072 1 18 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.758 -0.155 18714 7073 1 18 . 1 1 36 36 ILE C C 36 177.725 177.725 178.171 -0.446 18714 7074 1 18 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.105 -0.160 18714 7075 1 18 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.826 -1.953 18714 7076 1 18 . 1 1 36 36 ILE H H 36 7.697 7.697 7.602 0.095 18714 7077 1 18 . 1 1 37 37 ILE N N 37 119.451 119.451 119.932 -0.481 18714 7078 1 18 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.686 0.273 18714 7079 1 18 . 1 1 37 37 ILE C C 37 178.085 178.085 178.054 0.031 18714 7080 1 18 . 1 1 37 37 ILE CA C 37 64.734 64.734 63.555 1.179 18714 7081 1 18 . 1 1 37 37 ILE CB C 37 37.781 37.781 36.447 1.334 18714 7082 1 18 . 1 1 37 37 ILE H H 37 8.229 8.229 8.238 -0.009 18714 7083 1 18 . 1 1 38 38 ARG N N 38 122.344 122.344 120.135 2.209 18714 7084 1 18 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.083 -0.115 18714 7085 1 18 . 1 1 38 38 ARG C C 38 179.165 179.165 179.052 0.113 18714 7086 1 18 . 1 1 38 38 ARG CA C 38 59.921 59.921 58.619 1.302 18714 7087 1 18 . 1 1 38 38 ARG CB C 38 30.663 30.663 29.762 0.901 18714 7088 1 18 . 1 1 38 38 ARG H H 38 7.664 7.664 7.505 0.159 18714 7089 1 18 . 1 1 39 39 LEU N N 39 117.479 117.479 119.763 -2.284 18714 7090 1 18 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.968 0.058 18714 7091 1 18 . 1 1 39 39 LEU C C 39 181.316 181.316 178.841 2.475 18714 7092 1 18 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.776 -0.196 18714 7093 1 18 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.799 1.585 18714 7094 1 18 . 1 1 39 39 LEU H H 39 8.629 8.629 8.027 0.602 18714 7095 1 18 . 1 1 40 40 MET N N 40 126.468 126.468 117.764 8.704 18714 7096 1 18 . 1 1 40 40 MET HA H 40 3.957 3.957 4.174 -0.217 18714 7097 1 18 . 1 1 40 40 MET C C 40 178.466 178.466 178.387 0.079 18714 7098 1 18 . 1 1 40 40 MET CA C 40 60.109 60.109 58.872 1.237 18714 7099 1 18 . 1 1 40 40 MET CB C 40 34.065 34.065 32.386 1.679 18714 7100 1 18 . 1 1 40 40 MET H H 40 9.112 9.112 8.052 1.060 18714 7101 1 18 . 1 1 41 41 LYS N N 41 119.282 119.282 117.643 1.639 18714 7102 1 18 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.090 -0.050 18714 7103 1 18 . 1 1 41 41 LYS C C 41 178.805 178.805 178.296 0.509 18714 7104 1 18 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.654 0.561 18714 7105 1 18 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.087 0.040 18714 7106 1 18 . 1 1 41 41 LYS H H 41 7.721 7.721 7.609 0.112 18714 7107 1 18 . 1 1 42 42 ILE N N 42 114.582 114.582 118.738 -4.156 18714 7108 1 18 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.127 0.023 18714 7109 1 18 . 1 1 42 42 ILE C C 42 177.365 177.365 178.194 -0.829 18714 7110 1 18 . 1 1 42 42 ILE CA C 42 62.717 62.717 62.517 0.199 18714 7111 1 18 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.958 0.872 18714 7112 1 18 . 1 1 42 42 ILE H H 42 7.804 7.804 7.446 0.358 18714 7113 1 18 . 1 1 43 43 THR N N 43 107.511 107.511 112.010 -4.499 18714 7114 1 18 . 1 1 43 43 THR HA H 43 4.536 4.536 4.166 0.370 18714 7115 1 18 . 1 1 43 43 THR C C 43 176.120 176.120 176.209 -0.089 18714 7116 1 18 . 1 1 43 43 THR CA C 43 63.136 63.136 64.157 -1.021 18714 7117 1 18 . 1 1 43 43 THR CB C 43 72.060 72.060 69.560 2.500 18714 7118 1 18 . 1 1 43 43 THR H H 43 8.313 8.313 8.250 0.063 18714 7119 1 18 . 1 1 44 44 GLY N N 44 111.235 111.235 110.237 0.998 18714 7120 1 18 . 1 1 44 44 GLY C C 44 174.134 174.134 174.909 -0.775 18714 7121 1 18 . 1 1 44 44 GLY CA C 44 45.805 45.805 45.198 0.607 18714 7122 1 18 . 1 1 44 44 GLY H H 44 8.055 8.055 7.792 0.263 18714 7123 1 18 . 1 1 45 45 LEU N N 45 120.586 120.586 121.850 -1.264 18714 7124 1 18 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.561 -0.056 18714 7125 1 18 . 1 1 45 45 LEU C C 45 176.634 176.634 177.184 -0.550 18714 7126 1 18 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.257 -0.500 18714 7127 1 18 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.446 0.860 18714 7128 1 18 . 1 1 45 45 LEU H H 45 7.708 7.708 7.664 0.044 18714 7129 1 18 . 1 1 46 46 THR N N 46 109.308 109.308 108.642 0.666 18714 7130 1 18 . 1 1 46 46 THR HA H 46 4.325 4.325 4.459 -0.134 18714 7131 1 18 . 1 1 46 46 THR C C 46 175.215 175.215 175.934 -0.719 18714 7132 1 18 . 1 1 46 46 THR CA C 46 60.914 60.914 60.840 0.074 18714 7133 1 18 . 1 1 46 46 THR CB C 46 71.237 71.237 70.680 0.557 18714 7134 1 18 . 1 1 46 46 THR H H 46 8.570 8.570 7.989 0.581 18714 7135 1 18 . 1 1 47 47 LYS N N 47 121.342 121.342 122.546 -1.204 18714 7136 1 18 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.952 -0.267 18714 7137 1 18 . 1 1 47 47 LYS C C 47 178.805 178.805 178.643 0.162 18714 7138 1 18 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.196 0.597 18714 7139 1 18 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.198 0.136 18714 7140 1 18 . 1 1 47 47 LYS H H 47 8.797 8.797 8.687 0.110 18714 7141 1 18 . 1 1 48 48 GLY N N 48 104.143 104.143 106.635 -2.492 18714 7142 1 18 . 1 1 48 48 GLY C C 48 177.149 177.149 176.653 0.496 18714 7143 1 18 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.953 -0.064 18714 7144 1 18 . 1 1 48 48 GLY H H 48 8.715 8.715 7.995 0.720 18714 7145 1 18 . 1 1 49 49 GLU N N 49 121.943 121.943 121.700 0.243 18714 7146 1 18 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.142 -0.052 18714 7147 1 18 . 1 1 49 49 GLU C C 49 179.886 179.886 179.226 0.660 18714 7148 1 18 . 1 1 49 49 GLU CA C 49 59.183 59.183 58.627 0.556 18714 7149 1 18 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.250 1.440 18714 7150 1 18 . 1 1 49 49 GLU H H 49 7.851 7.851 7.778 0.073 18714 7151 1 18 . 1 1 50 50 ILE N N 50 121.748 121.748 121.152 0.596 18714 7152 1 18 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.847 -0.087 18714 7153 1 18 . 1 1 50 50 ILE C C 50 177.735 177.735 178.035 -0.300 18714 7154 1 18 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.476 0.642 18714 7155 1 18 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.936 0.176 18714 7156 1 18 . 1 1 50 50 ILE H H 50 8.224 8.224 8.058 0.166 18714 7157 1 18 . 1 1 51 51 LYS N N 51 119.119 119.119 119.077 0.042 18714 7158 1 18 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.064 -0.003 18714 7159 1 18 . 1 1 51 51 LYS C C 51 179.526 179.526 179.230 0.296 18714 7160 1 18 . 1 1 51 51 LYS CA C 51 61.120 61.120 60.099 1.021 18714 7161 1 18 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.102 -0.207 18714 7162 1 18 . 1 1 51 51 LYS H H 51 8.842 8.842 8.141 0.701 18714 7163 1 18 . 1 1 52 52 LYS N N 52 120.252 120.252 121.390 -1.138 18714 7164 1 18 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.119 0.075 18714 7165 1 18 . 1 1 52 52 LYS C C 52 176.830 176.830 178.419 -1.589 18714 7166 1 18 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.599 -0.849 18714 7167 1 18 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.325 0.062 18714 7168 1 18 . 1 1 52 52 LYS H H 52 8.208 8.208 7.861 0.347 18714 7169 1 18 . 1 1 53 53 TRP N N 53 120.333 120.333 121.494 -1.161 18714 7170 1 18 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.248 -0.059 18714 7171 1 18 . 1 1 53 53 TRP C C 53 180.266 180.266 178.197 2.069 18714 7172 1 18 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.403 1.316 18714 7173 1 18 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.408 -1.254 18714 7174 1 18 . 1 1 53 53 TRP H H 53 8.132 8.132 7.810 0.322 18714 7175 1 18 . 1 1 54 54 PHE N N 54 120.742 120.742 116.990 3.752 18714 7176 1 18 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.932 -0.218 18714 7177 1 18 . 1 1 54 54 PHE C C 54 177.488 177.488 178.063 -0.575 18714 7178 1 18 . 1 1 54 54 PHE CA C 54 63.893 63.893 62.409 1.484 18714 7179 1 18 . 1 1 54 54 PHE CB C 54 39.402 39.402 39.025 0.377 18714 7180 1 18 . 1 1 54 54 PHE H H 54 8.903 8.903 8.438 0.465 18714 7181 1 18 . 1 1 55 55 SER N N 55 113.136 113.136 114.962 -1.826 18714 7182 1 18 . 1 1 55 55 SER HA H 55 4.063 4.063 4.126 -0.063 18714 7183 1 18 . 1 1 55 55 SER C C 55 177.571 177.571 176.956 0.615 18714 7184 1 18 . 1 1 55 55 SER CA C 55 62.419 62.419 61.957 0.462 18714 7185 1 18 . 1 1 55 55 SER CB C 55 62.673 62.673 62.719 -0.046 18714 7186 1 18 . 1 1 55 55 SER H H 55 8.136 8.136 8.103 0.033 18714 7187 1 18 . 1 1 56 56 ASP N N 56 122.871 122.871 122.603 0.268 18714 7188 1 18 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.461 -0.163 18714 7189 1 18 . 1 1 56 56 ASP C C 56 178.085 178.085 178.428 -0.343 18714 7190 1 18 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.334 -0.371 18714 7191 1 18 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.539 -0.818 18714 7192 1 18 . 1 1 56 56 ASP H H 56 9.091 9.091 8.308 0.783 18714 7193 1 18 . 1 1 57 57 THR N N 57 118.957 118.957 115.704 3.253 18714 7194 1 18 . 1 1 57 57 THR HA H 57 3.335 3.335 3.843 -0.508 18714 7195 1 18 . 1 1 57 57 THR C C 57 175.925 175.925 175.920 0.005 18714 7196 1 18 . 1 1 57 57 THR CA C 57 67.064 67.064 65.204 1.860 18714 7197 1 18 . 1 1 57 57 THR CB C 57 67.387 67.387 67.523 -0.136 18714 7198 1 18 . 1 1 57 57 THR H H 57 7.926 7.926 7.781 0.145 18714 7199 1 18 . 1 1 58 58 ARG N N 58 120.980 120.980 122.278 -1.298 18714 7200 1 18 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.243 -0.042 18714 7201 1 18 . 1 1 58 58 ARG C C 58 179.536 179.536 178.801 0.735 18714 7202 1 18 . 1 1 58 58 ARG CA C 58 59.976 59.976 58.592 1.384 18714 7203 1 18 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.546 1.848 18714 7204 1 18 . 1 1 58 58 ARG H H 58 8.139 8.139 7.947 0.192 18714 7205 1 18 . 1 1 59 59 TYR N N 59 119.449 119.449 120.466 -1.017 18714 7206 1 18 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.188 -0.044 18714 7207 1 18 . 1 1 59 59 TYR C C 59 178.075 178.075 176.977 1.098 18714 7208 1 18 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.257 0.063 18714 7209 1 18 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.441 -0.439 18714 7210 1 18 . 1 1 59 59 TYR H H 59 8.004 8.004 7.961 0.043 18714 7211 1 18 . 1 1 60 60 ASN N N 60 118.169 118.169 116.549 1.620 18714 7212 1 18 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.121 0.233 18714 7213 1 18 . 1 1 60 60 ASN C C 60 177.005 177.005 177.407 -0.402 18714 7214 1 18 . 1 1 60 60 ASN CA C 60 55.160 55.160 56.233 -1.073 18714 7215 1 18 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.429 -0.137 18714 7216 1 18 . 1 1 60 60 ASN H H 60 8.354 8.354 7.727 0.627 18714 7217 1 18 . 1 1 61 61 GLN N N 61 118.671 118.671 117.485 1.186 18714 7218 1 18 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.058 0.083 18714 7219 1 18 . 1 1 61 61 GLN C C 61 177.046 177.046 178.107 -1.061 18714 7220 1 18 . 1 1 61 61 GLN CA C 61 57.217 57.217 57.879 -0.662 18714 7221 1 18 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.483 -0.017 18714 7222 1 18 . 1 1 61 61 GLN H H 61 7.971 7.971 7.817 0.154 18714 7223 1 18 . 1 1 62 62 ARG N N 62 119.140 119.140 118.368 0.772 18714 7224 1 18 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.202 -0.013 18714 7225 1 18 . 1 1 62 62 ARG C C 62 176.655 176.655 177.173 -0.518 18714 7226 1 18 . 1 1 62 62 ARG CA C 62 57.462 57.462 56.926 0.536 18714 7227 1 18 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.256 -0.360 18714 7228 1 18 . 1 1 62 62 ARG H H 62 7.690 7.690 7.659 0.031 18714 7229 1 18 . 1 1 63 63 ASN N N 63 117.472 117.472 119.988 -2.516 18714 7230 1 18 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.467 0.267 18714 7231 1 18 . 1 1 63 63 ASN C C 63 175.194 175.194 173.798 1.396 18714 7232 1 18 . 1 1 63 63 ASN CA C 63 53.141 53.141 53.127 0.014 18714 7233 1 18 . 1 1 63 63 ASN CB C 63 38.875 38.875 37.739 1.136 18714 7234 1 18 . 1 1 63 63 ASN H H 63 8.003 8.003 7.727 0.276 18714 7235 1 18 . 1 1 64 64 SER N N 64 115.768 115.768 119.092 -3.324 18714 7236 1 18 . 1 1 64 64 SER HA H 64 4.402 4.402 4.596 -0.194 18714 7237 1 18 . 1 1 64 64 SER C C 64 174.721 174.721 173.579 1.142 18714 7238 1 18 . 1 1 64 64 SER CA C 64 58.758 58.758 57.505 1.253 18714 7239 1 18 . 1 1 64 64 SER CB C 64 63.620 63.620 65.107 -1.487 18714 7240 1 18 . 1 1 64 64 SER H H 64 7.942 7.942 7.776 0.166 18714 7241 1 18 . 1 1 65 65 LYS N N 65 122.579 122.579 126.756 -4.177 18714 7242 1 18 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.226 0.084 18714 7243 1 18 . 1 1 65 65 LYS C C 65 176.665 176.665 176.956 -0.291 18714 7244 1 18 . 1 1 65 65 LYS CA C 65 56.366 56.366 56.753 -0.387 18714 7245 1 18 . 1 1 65 65 LYS CB C 65 33.054 33.054 32.982 0.072 18714 7246 1 18 . 1 1 65 65 LYS H H 65 8.319 8.319 8.468 -0.149 18714 7247 1 18 . 1 1 66 66 SER N N 66 115.560 115.560 121.369 -5.809 18714 7248 1 18 . 1 1 66 66 SER HA H 66 4.425 4.425 4.464 -0.039 18714 7249 1 18 . 1 1 66 66 SER CA C 66 58.577 58.577 57.617 0.960 18714 7250 1 18 . 1 1 66 66 SER CB C 66 63.670 63.670 62.831 0.839 18714 7251 1 18 . 1 1 66 66 SER H H 66 8.184 8.184 8.649 -0.465 18714 7252 1 18 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.806 -0.103 18714 7253 1 18 . 1 1 67 67 ASN C C 67 175.196 175.196 174.701 0.495 18714 7254 1 18 . 1 1 67 67 ASN CA C 67 53.417 53.417 52.610 0.807 18714 7255 1 18 . 1 1 67 67 ASN CB C 67 38.593 38.593 39.388 -0.795 18714 7256 1 18 . 1 1 68 68 GLN N N 68 120.106 120.106 121.415 -1.309 18714 7257 1 18 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.229 0.074 18714 7258 1 18 . 1 1 68 68 GLN C C 68 175.708 175.708 175.030 0.678 18714 7259 1 18 . 1 1 68 68 GLN CA C 68 56.172 56.172 56.209 -0.037 18714 7260 1 18 . 1 1 68 68 GLN CB C 68 29.172 29.172 26.960 2.212 18714 7261 1 18 . 1 1 68 68 GLN H H 68 8.283 8.283 8.729 -0.446 18714 7262 1 18 . 1 1 69 69 CYS N N 69 119.599 119.599 123.773 -4.174 18714 7263 1 18 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.361 0.043 18714 7264 1 18 . 1 1 69 69 CYS C C 69 174.412 174.412 173.981 0.431 18714 7265 1 18 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.268 -0.575 18714 7266 1 18 . 1 1 69 69 CYS CB C 69 27.610 27.610 28.654 -1.044 18714 7267 1 18 . 1 1 69 69 CYS H H 69 8.313 8.313 8.450 -0.137 18714 7268 1 18 . 1 1 70 70 LEU N N 70 123.832 123.832 120.018 3.814 18714 7269 1 18 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.451 -0.184 18714 7270 1 18 . 1 1 70 70 LEU C C 70 176.645 176.645 176.282 0.363 18714 7271 1 18 . 1 1 70 70 LEU CA C 70 55.283 55.283 54.496 0.787 18714 7272 1 18 . 1 1 70 70 LEU CB C 70 42.259 42.259 43.660 -1.401 18714 7273 1 18 . 1 1 70 70 LEU H H 70 8.201 8.201 8.095 0.106 18714 7274 1 18 . 1 1 71 71 HIS N N 71 119.423 119.423 117.434 1.989 18714 7275 1 18 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.670 -0.022 18714 7276 1 18 . 1 1 71 71 HIS C C 71 174.494 174.494 175.270 -0.776 18714 7277 1 18 . 1 1 71 71 HIS CA C 71 55.424 55.424 56.255 -0.831 18714 7278 1 18 . 1 1 71 71 HIS CB C 71 29.687 29.687 30.203 -0.516 18714 7279 1 18 . 1 1 71 71 HIS H H 71 8.308 8.308 8.143 0.165 18714 7280 1 18 . 1 1 72 72 LEU N N 72 122.990 122.990 123.545 -0.555 18714 7281 1 18 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.370 -0.037 18714 7282 1 18 . 1 1 72 72 LEU C C 72 176.645 176.645 175.572 1.073 18714 7283 1 18 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.915 0.066 18714 7284 1 18 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.444 -0.263 18714 7285 1 18 . 1 1 72 72 LEU H H 72 8.146 8.146 7.680 0.466 18714 7286 1 18 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.836 -0.103 18714 7287 1 18 . 1 1 73 73 ASN C C 73 173.774 173.774 173.907 -0.133 18714 7288 1 18 . 1 1 73 73 ASN CA C 73 53.033 53.033 52.401 0.632 18714 7289 1 18 . 1 1 73 73 ASN CB C 73 38.928 38.928 39.473 -0.545 18714 7290 1 18 . 1 1 73 73 ASN H H 73 8.428 8.428 8.352 0.076 18714 7291 1 19 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.850 -0.466 18714 7292 1 19 . 1 1 4 4 PRO C C 4 176.388 176.388 176.124 0.264 18714 7293 1 19 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.695 0.402 18714 7294 1 19 . 1 1 4 4 PRO CB C 4 32.056 32.056 30.504 1.552 18714 7295 1 19 . 1 1 5 5 ASP N N 5 120.482 120.482 121.207 -0.725 18714 7296 1 19 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.493 0.051 18714 7297 1 19 . 1 1 5 5 ASP C C 5 176.336 176.336 176.761 -0.425 18714 7298 1 19 . 1 1 5 5 ASP CA C 5 54.322 54.322 56.427 -2.105 18714 7299 1 19 . 1 1 5 5 ASP CB C 5 41.006 41.006 41.507 -0.501 18714 7300 1 19 . 1 1 5 5 ASP H H 5 8.415 8.415 8.098 0.317 18714 7301 1 19 . 1 1 6 6 SER N N 6 115.481 115.481 111.251 4.230 18714 7302 1 19 . 1 1 6 6 SER HA H 6 4.326 4.326 4.366 -0.040 18714 7303 1 19 . 1 1 6 6 SER C C 6 174.494 174.494 173.868 0.626 18714 7304 1 19 . 1 1 6 6 SER CA C 6 58.559 58.559 58.641 -0.082 18714 7305 1 19 . 1 1 6 6 SER CB C 6 63.461 63.461 63.278 0.183 18714 7306 1 19 . 1 1 6 6 SER H H 6 8.146 8.146 8.217 -0.071 18714 7307 1 19 . 1 1 7 7 PHE N N 7 121.475 121.475 121.704 -0.229 18714 7308 1 19 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.687 -0.128 18714 7309 1 19 . 1 1 7 7 PHE C C 7 176.285 176.285 176.739 -0.454 18714 7310 1 19 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.169 1.058 18714 7311 1 19 . 1 1 7 7 PHE CB C 7 39.213 39.213 39.228 -0.015 18714 7312 1 19 . 1 1 7 7 PHE H H 7 8.236 8.236 7.799 0.437 18714 7313 1 19 . 1 1 8 8 GLY N N 8 109.715 109.715 109.865 -0.150 18714 7314 1 19 . 1 1 8 8 GLY C C 8 174.124 174.124 174.259 -0.135 18714 7315 1 19 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.764 0.602 18714 7316 1 19 . 1 1 8 8 GLY H H 8 8.256 8.256 8.332 -0.076 18714 7317 1 19 . 1 1 9 9 ILE N N 9 120.361 120.361 122.055 -1.694 18714 7318 1 19 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.113 -0.001 18714 7319 1 19 . 1 1 9 9 ILE C C 9 176.429 176.429 176.609 -0.180 18714 7320 1 19 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.257 0.196 18714 7321 1 19 . 1 1 9 9 ILE CB C 9 38.386 38.386 38.726 -0.340 18714 7322 1 19 . 1 1 9 9 ILE H H 9 7.975 7.975 7.559 0.416 18714 7323 1 19 . 1 1 10 10 ARG N N 10 124.698 124.698 128.517 -3.819 18714 7324 1 19 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.354 -0.028 18714 7325 1 19 . 1 1 10 10 ARG C C 10 175.925 175.925 175.748 0.177 18714 7326 1 19 . 1 1 10 10 ARG CA C 10 55.824 55.824 55.480 0.345 18714 7327 1 19 . 1 1 10 10 ARG CB C 10 30.482 30.482 27.850 2.632 18714 7328 1 19 . 1 1 10 10 ARG H H 10 8.407 8.407 8.918 -0.511 18714 7329 1 19 . 1 1 11 11 ALA N N 11 124.966 124.966 127.171 -2.205 18714 7330 1 19 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.500 -0.227 18714 7331 1 19 . 1 1 11 11 ALA C C 11 177.715 177.715 177.266 0.449 18714 7332 1 19 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.023 0.502 18714 7333 1 19 . 1 1 11 11 ALA CB C 11 19.094 19.094 18.229 0.865 18714 7334 1 19 . 1 1 11 11 ALA H H 11 8.257 8.257 8.390 -0.133 18714 7335 1 19 . 1 1 12 12 LYS N N 12 120.850 120.850 121.838 -0.988 18714 7336 1 19 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.322 0.003 18714 7337 1 19 . 1 1 12 12 LYS C C 12 176.655 176.655 176.617 0.038 18714 7338 1 19 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.160 -0.046 18714 7339 1 19 . 1 1 12 12 LYS CB C 12 32.985 32.985 33.380 -0.395 18714 7340 1 19 . 1 1 12 12 LYS H H 12 8.217 8.217 8.032 0.185 18714 7341 1 19 . 1 1 13 13 LYS N N 13 122.258 122.258 122.456 -0.198 18714 7342 1 19 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.443 0.165 18714 7343 1 19 . 1 1 13 13 LYS C C 13 177.005 177.005 176.982 0.023 18714 7344 1 19 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.678 -0.803 18714 7345 1 19 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.377 2.354 18714 7346 1 19 . 1 1 13 13 LYS H H 13 8.317 8.317 8.189 0.128 18714 7347 1 19 . 1 1 14 14 THR N N 14 113.409 113.409 117.552 -4.143 18714 7348 1 19 . 1 1 14 14 THR HA H 14 4.387 4.387 4.399 -0.012 18714 7349 1 19 . 1 1 14 14 THR C C 14 175.215 175.215 176.125 -0.910 18714 7350 1 19 . 1 1 14 14 THR CA C 14 61.057 61.057 61.602 -0.545 18714 7351 1 19 . 1 1 14 14 THR CB C 14 70.754 70.754 70.908 -0.154 18714 7352 1 19 . 1 1 14 14 THR H H 14 8.747 8.747 8.526 0.221 18714 7353 1 19 . 1 1 15 15 LYS N N 15 120.711 120.711 120.202 0.509 18714 7354 1 19 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.133 -0.170 18714 7355 1 19 . 1 1 15 15 LYS C C 15 178.898 178.898 178.686 0.212 18714 7356 1 19 . 1 1 15 15 LYS CA C 15 59.587 59.587 58.706 0.881 18714 7357 1 19 . 1 1 15 15 LYS CB C 15 32.016 32.016 31.788 0.228 18714 7358 1 19 . 1 1 15 15 LYS H H 15 8.804 8.804 8.721 0.083 18714 7359 1 19 . 1 1 16 16 GLU N N 16 119.447 119.447 118.996 0.451 18714 7360 1 19 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.045 -0.002 18714 7361 1 19 . 1 1 16 16 GLU C C 16 179.536 179.536 178.857 0.679 18714 7362 1 19 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.242 0.869 18714 7363 1 19 . 1 1 16 16 GLU CB C 16 28.697 28.697 28.832 -0.136 18714 7364 1 19 . 1 1 16 16 GLU H H 16 8.715 8.715 7.975 0.740 18714 7365 1 19 . 1 1 17 17 GLN N N 17 119.610 119.610 119.062 0.548 18714 7366 1 19 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.977 -0.116 18714 7367 1 19 . 1 1 17 17 GLN C C 17 177.725 177.725 178.341 -0.616 18714 7368 1 19 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.527 0.358 18714 7369 1 19 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.759 -0.058 18714 7370 1 19 . 1 1 17 17 GLN H H 17 7.811 7.811 7.884 -0.073 18714 7371 1 19 . 1 1 18 18 LEU N N 18 116.893 116.893 119.828 -2.935 18714 7372 1 19 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.537 0.047 18714 7373 1 19 . 1 1 18 18 LEU C C 18 178.250 178.250 178.095 0.155 18714 7374 1 19 . 1 1 18 18 LEU CA C 18 57.228 57.228 56.949 0.279 18714 7375 1 19 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.793 -0.130 18714 7376 1 19 . 1 1 18 18 LEU H H 18 8.190 8.190 8.127 0.063 18714 7377 1 19 . 1 1 19 19 ALA N N 19 120.561 120.561 121.623 -1.062 18714 7378 1 19 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.915 0.072 18714 7379 1 19 . 1 1 19 19 ALA C C 19 180.071 180.071 179.316 0.755 18714 7380 1 19 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.836 -0.705 18714 7381 1 19 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.713 0.208 18714 7382 1 19 . 1 1 19 19 ALA H H 19 8.013 8.013 7.741 0.272 18714 7383 1 19 . 1 1 20 20 GLU N N 20 115.648 115.648 118.383 -2.735 18714 7384 1 19 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.042 -0.005 18714 7385 1 19 . 1 1 20 20 GLU C C 20 179.526 179.526 179.083 0.443 18714 7386 1 19 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.875 -0.931 18714 7387 1 19 . 1 1 20 20 GLU CB C 20 28.860 28.860 28.956 -0.096 18714 7388 1 19 . 1 1 20 20 GLU H H 20 7.165 7.165 7.944 -0.779 18714 7389 1 19 . 1 1 21 21 LEU N N 21 120.140 120.140 119.979 0.161 18714 7390 1 19 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.665 -0.107 18714 7391 1 19 . 1 1 21 21 LEU C C 21 177.344 177.344 178.775 -1.431 18714 7392 1 19 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.309 0.602 18714 7393 1 19 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.420 -2.588 18714 7394 1 19 . 1 1 21 21 LEU H H 21 7.428 7.428 7.617 -0.189 18714 7395 1 19 . 1 1 22 22 LYS N N 22 117.352 117.352 119.755 -2.403 18714 7396 1 19 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.230 -0.254 18714 7397 1 19 . 1 1 22 22 LYS C C 22 178.805 178.805 179.302 -0.497 18714 7398 1 19 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.741 0.541 18714 7399 1 19 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.373 -0.199 18714 7400 1 19 . 1 1 22 22 LYS H H 22 8.021 8.021 7.785 0.236 18714 7401 1 19 . 1 1 23 23 VAL N N 23 117.470 117.470 119.082 -1.612 18714 7402 1 19 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.761 -0.064 18714 7403 1 19 . 1 1 23 23 VAL C C 23 178.291 178.291 178.271 0.020 18714 7404 1 19 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.359 0.062 18714 7405 1 19 . 1 1 23 23 VAL CB C 23 31.710 31.710 31.082 0.628 18714 7406 1 19 . 1 1 23 23 VAL H H 23 7.618 7.618 7.763 -0.145 18714 7407 1 19 . 1 1 24 24 SER N N 24 113.371 113.371 115.139 -1.768 18714 7408 1 19 . 1 1 24 24 SER HA H 24 4.247 4.247 4.291 -0.044 18714 7409 1 19 . 1 1 24 24 SER C C 24 177.015 177.015 176.533 0.482 18714 7410 1 19 . 1 1 24 24 SER CA C 24 61.550 61.550 61.478 0.072 18714 7411 1 19 . 1 1 24 24 SER CB C 24 62.987 62.987 63.308 -0.321 18714 7412 1 19 . 1 1 24 24 SER H H 24 7.340 7.340 8.072 -0.732 18714 7413 1 19 . 1 1 25 25 TYR N N 25 120.532 120.532 123.279 -2.747 18714 7414 1 19 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.699 -0.447 18714 7415 1 19 . 1 1 25 25 TYR C C 25 176.470 176.470 177.310 -0.840 18714 7416 1 19 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.403 0.392 18714 7417 1 19 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.869 -0.258 18714 7418 1 19 . 1 1 25 25 TYR H H 25 8.888 8.888 8.162 0.726 18714 7419 1 19 . 1 1 26 26 LEU N N 26 115.079 115.079 118.075 -2.996 18714 7420 1 19 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.955 0.080 18714 7421 1 19 . 1 1 26 26 LEU C C 26 179.021 179.021 178.610 0.411 18714 7422 1 19 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.880 -0.031 18714 7423 1 19 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.700 0.283 18714 7424 1 19 . 1 1 26 26 LEU H H 26 7.953 7.953 7.727 0.226 18714 7425 1 19 . 1 1 27 27 LYS N N 27 119.058 119.058 118.009 1.049 18714 7426 1 19 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.165 0.004 18714 7427 1 19 . 1 1 27 27 LYS C C 27 177.375 177.375 176.313 1.062 18714 7428 1 19 . 1 1 27 27 LYS CA C 27 58.501 58.501 58.489 0.012 18714 7429 1 19 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.328 -0.695 18714 7430 1 19 . 1 1 27 27 LYS H H 27 7.503 7.503 7.769 -0.266 18714 7431 1 19 . 1 1 28 28 ASN N N 28 116.296 116.296 113.125 3.171 18714 7432 1 19 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.647 -0.127 18714 7433 1 19 . 1 1 28 28 ASN C C 28 174.134 174.134 174.775 -0.641 18714 7434 1 19 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.584 1.121 18714 7435 1 19 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.378 -0.012 18714 7436 1 19 . 1 1 28 28 ASN H H 28 8.163 8.163 8.027 0.136 18714 7437 1 19 . 1 1 29 29 GLN N N 29 123.819 123.819 120.800 3.019 18714 7438 1 19 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.838 0.012 18714 7439 1 19 . 1 1 29 29 GLN C C 29 173.785 173.785 173.477 0.308 18714 7440 1 19 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.525 0.077 18714 7441 1 19 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.799 -0.569 18714 7442 1 19 . 1 1 29 29 GLN H H 29 8.560 8.560 8.451 0.109 18714 7443 1 19 . 1 1 30 30 PHE N N 30 116.997 116.997 116.168 0.829 18714 7444 1 19 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.741 0.001 18714 7445 1 19 . 1 1 30 30 PHE CA C 30 53.470 53.470 53.930 -0.460 18714 7446 1 19 . 1 1 30 30 PHE CB C 30 39.136 39.136 38.527 0.609 18714 7447 1 19 . 1 1 30 30 PHE H H 30 8.014 8.014 7.759 0.255 18714 7448 1 19 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.666 -0.687 18714 7449 1 19 . 1 1 31 31 PRO C C 31 177.285 177.285 176.716 0.569 18714 7450 1 19 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.143 0.121 18714 7451 1 19 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.250 -1.473 18714 7452 1 19 . 1 1 32 32 HIS N N 32 120.779 120.779 118.131 2.648 18714 7453 1 19 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.361 0.214 18714 7454 1 19 . 1 1 32 32 HIS C C 32 176.601 176.601 176.183 0.418 18714 7455 1 19 . 1 1 32 32 HIS CA C 32 55.416 55.416 58.730 -3.314 18714 7456 1 19 . 1 1 32 32 HIS CB C 32 31.396 31.396 30.454 0.942 18714 7457 1 19 . 1 1 32 32 HIS H H 32 8.401 8.401 8.756 -0.355 18714 7458 1 19 . 1 1 33 33 ASP N N 33 124.390 124.390 114.003 10.387 18714 7459 1 19 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.691 -0.415 18714 7460 1 19 . 1 1 33 33 ASP C C 33 178.064 178.064 177.733 0.331 18714 7461 1 19 . 1 1 33 33 ASP CA C 33 58.486 58.486 55.309 3.177 18714 7462 1 19 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.919 -0.468 18714 7463 1 19 . 1 1 33 33 ASP H H 33 8.691 8.691 8.270 0.421 18714 7464 1 19 . 1 1 34 34 SER N N 34 114.256 114.256 116.745 -2.489 18714 7465 1 19 . 1 1 34 34 SER HA H 34 4.109 4.109 4.219 -0.110 18714 7466 1 19 . 1 1 34 34 SER C C 34 176.645 176.645 176.088 0.557 18714 7467 1 19 . 1 1 34 34 SER CA C 34 60.282 60.282 61.067 -0.785 18714 7468 1 19 . 1 1 34 34 SER CB C 34 61.931 61.931 63.199 -1.268 18714 7469 1 19 . 1 1 34 34 SER H H 34 9.494 9.494 8.178 1.316 18714 7470 1 19 . 1 1 35 35 GLU N N 35 126.075 126.075 122.006 4.069 18714 7471 1 19 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.112 0.791 18714 7472 1 19 . 1 1 35 35 GLU C C 35 177.715 177.715 178.726 -1.011 18714 7473 1 19 . 1 1 35 35 GLU CA C 35 56.884 56.884 59.232 -2.348 18714 7474 1 19 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.313 -0.792 18714 7475 1 19 . 1 1 35 35 GLU H H 35 7.493 7.493 8.620 -1.127 18714 7476 1 19 . 1 1 36 36 ILE N N 36 120.906 120.906 119.376 1.530 18714 7477 1 19 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.812 -0.209 18714 7478 1 19 . 1 1 36 36 ILE C C 36 177.725 177.725 178.259 -0.534 18714 7479 1 19 . 1 1 36 36 ILE CA C 36 64.945 64.945 65.028 -0.083 18714 7480 1 19 . 1 1 36 36 ILE CB C 36 35.873 35.873 38.123 -2.250 18714 7481 1 19 . 1 1 36 36 ILE H H 36 7.697 7.697 7.340 0.357 18714 7482 1 19 . 1 1 37 37 ILE N N 37 119.451 119.451 119.320 0.131 18714 7483 1 19 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.736 0.223 18714 7484 1 19 . 1 1 37 37 ILE C C 37 178.085 178.085 178.002 0.083 18714 7485 1 19 . 1 1 37 37 ILE CA C 37 64.734 64.734 64.916 -0.182 18714 7486 1 19 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.406 0.375 18714 7487 1 19 . 1 1 37 37 ILE H H 37 8.229 8.229 8.189 0.040 18714 7488 1 19 . 1 1 38 38 ARG N N 38 122.344 122.344 120.726 1.618 18714 7489 1 19 . 1 1 38 38 ARG HA H 38 3.968 3.968 3.942 0.026 18714 7490 1 19 . 1 1 38 38 ARG C C 38 179.165 179.165 178.558 0.607 18714 7491 1 19 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.743 0.178 18714 7492 1 19 . 1 1 38 38 ARG CB C 38 30.663 30.663 30.176 0.487 18714 7493 1 19 . 1 1 38 38 ARG H H 38 7.664 7.664 7.905 -0.241 18714 7494 1 19 . 1 1 39 39 LEU N N 39 117.479 117.479 119.225 -1.746 18714 7495 1 19 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.958 0.068 18714 7496 1 19 . 1 1 39 39 LEU C C 39 181.316 181.316 179.305 2.011 18714 7497 1 19 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.555 0.025 18714 7498 1 19 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.885 1.499 18714 7499 1 19 . 1 1 39 39 LEU H H 39 8.629 8.629 7.461 1.168 18714 7500 1 19 . 1 1 40 40 MET N N 40 126.468 126.468 117.563 8.905 18714 7501 1 19 . 1 1 40 40 MET HA H 40 3.957 3.957 4.275 -0.318 18714 7502 1 19 . 1 1 40 40 MET C C 40 178.466 178.466 178.657 -0.191 18714 7503 1 19 . 1 1 40 40 MET CA C 40 60.109 60.109 59.046 1.063 18714 7504 1 19 . 1 1 40 40 MET CB C 40 34.065 34.065 32.556 1.509 18714 7505 1 19 . 1 1 40 40 MET H H 40 9.112 9.112 8.079 1.033 18714 7506 1 19 . 1 1 41 41 LYS N N 41 119.282 119.282 118.245 1.037 18714 7507 1 19 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.121 -0.081 18714 7508 1 19 . 1 1 41 41 LYS C C 41 178.805 178.805 177.886 0.919 18714 7509 1 19 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.679 0.535 18714 7510 1 19 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.500 -0.373 18714 7511 1 19 . 1 1 41 41 LYS H H 41 7.721 7.721 7.624 0.097 18714 7512 1 19 . 1 1 42 42 ILE N N 42 114.582 114.582 118.269 -3.687 18714 7513 1 19 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.179 -0.029 18714 7514 1 19 . 1 1 42 42 ILE C C 42 177.365 177.365 177.919 -0.554 18714 7515 1 19 . 1 1 42 42 ILE CA C 42 62.717 62.717 62.122 0.595 18714 7516 1 19 . 1 1 42 42 ILE CB C 42 38.830 38.830 38.111 0.719 18714 7517 1 19 . 1 1 42 42 ILE H H 42 7.804 7.804 7.274 0.530 18714 7518 1 19 . 1 1 43 43 THR N N 43 107.511 107.511 111.946 -4.435 18714 7519 1 19 . 1 1 43 43 THR HA H 43 4.536 4.536 4.039 0.497 18714 7520 1 19 . 1 1 43 43 THR C C 43 176.120 176.120 176.107 0.013 18714 7521 1 19 . 1 1 43 43 THR CA C 43 63.136 63.136 64.579 -1.443 18714 7522 1 19 . 1 1 43 43 THR CB C 43 72.060 72.060 69.422 2.638 18714 7523 1 19 . 1 1 43 43 THR H H 43 8.313 8.313 8.203 0.110 18714 7524 1 19 . 1 1 44 44 GLY N N 44 111.235 111.235 109.682 1.553 18714 7525 1 19 . 1 1 44 44 GLY C C 44 174.134 174.134 174.895 -0.761 18714 7526 1 19 . 1 1 44 44 GLY CA C 44 45.805 45.805 45.030 0.775 18714 7527 1 19 . 1 1 44 44 GLY H H 44 8.055 8.055 7.694 0.361 18714 7528 1 19 . 1 1 45 45 LEU N N 45 120.586 120.586 121.665 -1.079 18714 7529 1 19 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.417 0.088 18714 7530 1 19 . 1 1 45 45 LEU C C 45 176.634 176.634 177.180 -0.546 18714 7531 1 19 . 1 1 45 45 LEU CA C 45 53.757 53.757 54.572 -0.815 18714 7532 1 19 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.712 0.594 18714 7533 1 19 . 1 1 45 45 LEU H H 45 7.708 7.708 7.612 0.096 18714 7534 1 19 . 1 1 46 46 THR N N 46 109.308 109.308 109.508 -0.200 18714 7535 1 19 . 1 1 46 46 THR HA H 46 4.325 4.325 4.348 -0.023 18714 7536 1 19 . 1 1 46 46 THR C C 46 175.215 175.215 175.299 -0.084 18714 7537 1 19 . 1 1 46 46 THR CA C 46 60.914 60.914 60.859 0.055 18714 7538 1 19 . 1 1 46 46 THR CB C 46 71.237 71.237 70.302 0.935 18714 7539 1 19 . 1 1 46 46 THR H H 46 8.570 8.570 8.170 0.400 18714 7540 1 19 . 1 1 47 47 LYS N N 47 121.342 121.342 123.371 -2.029 18714 7541 1 19 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.938 -0.253 18714 7542 1 19 . 1 1 47 47 LYS C C 47 178.805 178.805 178.483 0.322 18714 7543 1 19 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.958 0.834 18714 7544 1 19 . 1 1 47 47 LYS CB C 47 32.334 32.334 31.986 0.347 18714 7545 1 19 . 1 1 47 47 LYS H H 47 8.797 8.797 8.998 -0.201 18714 7546 1 19 . 1 1 48 48 GLY N N 48 104.143 104.143 106.451 -2.308 18714 7547 1 19 . 1 1 48 48 GLY C C 48 177.149 177.149 176.628 0.521 18714 7548 1 19 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.813 0.076 18714 7549 1 19 . 1 1 48 48 GLY H H 48 8.715 8.715 8.483 0.232 18714 7550 1 19 . 1 1 49 49 GLU N N 49 121.943 121.943 122.126 -0.183 18714 7551 1 19 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.079 0.011 18714 7552 1 19 . 1 1 49 49 GLU C C 49 179.886 179.886 179.057 0.829 18714 7553 1 19 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.206 -0.023 18714 7554 1 19 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.440 1.250 18714 7555 1 19 . 1 1 49 49 GLU H H 49 7.851 7.851 7.546 0.304 18714 7556 1 19 . 1 1 50 50 ILE N N 50 121.748 121.748 120.625 1.123 18714 7557 1 19 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.592 0.168 18714 7558 1 19 . 1 1 50 50 ILE C C 50 177.735 177.735 178.054 -0.319 18714 7559 1 19 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.486 0.632 18714 7560 1 19 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.813 0.299 18714 7561 1 19 . 1 1 50 50 ILE H H 50 8.224 8.224 8.088 0.136 18714 7562 1 19 . 1 1 51 51 LYS N N 51 119.119 119.119 119.112 0.007 18714 7563 1 19 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.213 -0.152 18714 7564 1 19 . 1 1 51 51 LYS C C 51 179.526 179.526 179.031 0.495 18714 7565 1 19 . 1 1 51 51 LYS CA C 51 61.120 61.120 60.011 1.109 18714 7566 1 19 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.204 -0.308 18714 7567 1 19 . 1 1 51 51 LYS H H 51 8.842 8.842 8.123 0.719 18714 7568 1 19 . 1 1 52 52 LYS N N 52 120.252 120.252 120.125 0.127 18714 7569 1 19 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.060 0.134 18714 7570 1 19 . 1 1 52 52 LYS C C 52 176.830 176.830 178.488 -1.658 18714 7571 1 19 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.411 -0.661 18714 7572 1 19 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.416 -0.029 18714 7573 1 19 . 1 1 52 52 LYS H H 52 8.208 8.208 7.743 0.465 18714 7574 1 19 . 1 1 53 53 TRP N N 53 120.333 120.333 121.770 -1.437 18714 7575 1 19 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.241 -0.052 18714 7576 1 19 . 1 1 53 53 TRP C C 53 180.266 180.266 178.279 1.987 18714 7577 1 19 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.207 1.512 18714 7578 1 19 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.198 -1.044 18714 7579 1 19 . 1 1 53 53 TRP H H 53 8.132 8.132 8.024 0.108 18714 7580 1 19 . 1 1 54 54 PHE N N 54 120.742 120.742 116.724 4.018 18714 7581 1 19 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.966 -0.252 18714 7582 1 19 . 1 1 54 54 PHE C C 54 177.488 177.488 178.256 -0.768 18714 7583 1 19 . 1 1 54 54 PHE CA C 54 63.893 63.893 61.568 2.325 18714 7584 1 19 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.590 0.812 18714 7585 1 19 . 1 1 54 54 PHE H H 54 8.903 8.903 7.919 0.984 18714 7586 1 19 . 1 1 55 55 SER N N 55 113.136 113.136 113.700 -0.564 18714 7587 1 19 . 1 1 55 55 SER HA H 55 4.063 4.063 4.200 -0.137 18714 7588 1 19 . 1 1 55 55 SER C C 55 177.571 177.571 176.420 1.151 18714 7589 1 19 . 1 1 55 55 SER CA C 55 62.419 62.419 61.251 1.168 18714 7590 1 19 . 1 1 55 55 SER CB C 55 62.673 62.673 63.141 -0.468 18714 7591 1 19 . 1 1 55 55 SER H H 55 8.136 8.136 7.679 0.457 18714 7592 1 19 . 1 1 56 56 ASP N N 56 122.871 122.871 120.404 2.467 18714 7593 1 19 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.538 -0.240 18714 7594 1 19 . 1 1 56 56 ASP C C 56 178.085 178.085 178.067 0.018 18714 7595 1 19 . 1 1 56 56 ASP CA C 56 56.963 56.963 56.557 0.406 18714 7596 1 19 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.796 -1.075 18714 7597 1 19 . 1 1 56 56 ASP H H 56 9.091 9.091 7.674 1.417 18714 7598 1 19 . 1 1 57 57 THR N N 57 118.957 118.957 116.819 2.138 18714 7599 1 19 . 1 1 57 57 THR HA H 57 3.335 3.335 3.336 -0.001 18714 7600 1 19 . 1 1 57 57 THR C C 57 175.925 175.925 176.126 -0.201 18714 7601 1 19 . 1 1 57 57 THR CA C 57 67.064 67.064 65.994 1.070 18714 7602 1 19 . 1 1 57 57 THR CB C 57 67.387 67.387 67.670 -0.283 18714 7603 1 19 . 1 1 57 57 THR H H 57 7.926 7.926 7.630 0.296 18714 7604 1 19 . 1 1 58 58 ARG N N 58 120.980 120.980 119.795 1.185 18714 7605 1 19 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.025 0.176 18714 7606 1 19 . 1 1 58 58 ARG C C 58 179.536 179.536 178.345 1.191 18714 7607 1 19 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.281 0.695 18714 7608 1 19 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.986 1.408 18714 7609 1 19 . 1 1 58 58 ARG H H 58 8.139 8.139 7.951 0.188 18714 7610 1 19 . 1 1 59 59 TYR N N 59 119.449 119.449 120.671 -1.222 18714 7611 1 19 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.145 -0.001 18714 7612 1 19 . 1 1 59 59 TYR C C 59 178.075 178.075 176.939 1.136 18714 7613 1 19 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.461 -0.141 18714 7614 1 19 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.364 -0.362 18714 7615 1 19 . 1 1 59 59 TYR H H 59 8.004 8.004 7.708 0.296 18714 7616 1 19 . 1 1 60 60 ASN N N 60 118.169 118.169 115.371 2.798 18714 7617 1 19 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.307 0.047 18714 7618 1 19 . 1 1 60 60 ASN C C 60 177.005 177.005 176.223 0.782 18714 7619 1 19 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.337 -0.177 18714 7620 1 19 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.334 -0.042 18714 7621 1 19 . 1 1 60 60 ASN H H 60 8.354 8.354 7.493 0.861 18714 7622 1 19 . 1 1 61 61 GLN N N 61 118.671 118.671 117.039 1.632 18714 7623 1 19 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.286 -0.145 18714 7624 1 19 . 1 1 61 61 GLN C C 61 177.046 177.046 175.459 1.587 18714 7625 1 19 . 1 1 61 61 GLN CA C 61 57.217 57.217 55.100 2.117 18714 7626 1 19 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.243 0.223 18714 7627 1 19 . 1 1 61 61 GLN H H 61 7.971 7.971 7.606 0.365 18714 7628 1 19 . 1 1 62 62 ARG N N 62 119.140 119.140 113.959 5.181 18714 7629 1 19 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.386 -0.197 18714 7630 1 19 . 1 1 62 62 ARG C C 62 176.655 176.655 176.006 0.649 18714 7631 1 19 . 1 1 62 62 ARG CA C 62 57.462 57.462 55.891 1.571 18714 7632 1 19 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.826 -0.930 18714 7633 1 19 . 1 1 62 62 ARG H H 62 7.690 7.690 7.432 0.258 18714 7634 1 19 . 1 1 63 63 ASN N N 63 117.472 117.472 120.690 -3.218 18714 7635 1 19 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.437 0.297 18714 7636 1 19 . 1 1 63 63 ASN C C 63 175.194 175.194 174.694 0.500 18714 7637 1 19 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.722 0.419 18714 7638 1 19 . 1 1 63 63 ASN CB C 63 38.875 38.875 40.031 -1.156 18714 7639 1 19 . 1 1 63 63 ASN H H 63 8.003 8.003 7.874 0.129 18714 7640 1 19 . 1 1 64 64 SER N N 64 115.768 115.768 117.561 -1.793 18714 7641 1 19 . 1 1 64 64 SER HA H 64 4.402 4.402 4.206 0.196 18714 7642 1 19 . 1 1 64 64 SER C C 64 174.721 174.721 174.036 0.685 18714 7643 1 19 . 1 1 64 64 SER CA C 64 58.758 58.758 59.222 -0.464 18714 7644 1 19 . 1 1 64 64 SER CB C 64 63.620 63.620 62.940 0.680 18714 7645 1 19 . 1 1 64 64 SER H H 64 7.942 7.942 8.490 -0.548 18714 7646 1 19 . 1 1 65 65 LYS N N 65 122.579 122.579 125.722 -3.143 18714 7647 1 19 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.136 0.174 18714 7648 1 19 . 1 1 65 65 LYS C C 65 176.665 176.665 177.281 -0.616 18714 7649 1 19 . 1 1 65 65 LYS CA C 65 56.366 56.366 56.842 -0.476 18714 7650 1 19 . 1 1 65 65 LYS CB C 65 33.054 33.054 33.075 -0.021 18714 7651 1 19 . 1 1 65 65 LYS H H 65 8.319 8.319 7.796 0.523 18714 7652 1 19 . 1 1 66 66 SER N N 66 115.560 115.560 116.418 -0.858 18714 7653 1 19 . 1 1 66 66 SER HA H 66 4.425 4.425 4.332 0.093 18714 7654 1 19 . 1 1 66 66 SER CA C 66 58.577 58.577 58.337 0.239 18714 7655 1 19 . 1 1 66 66 SER CB C 66 63.670 63.670 62.878 0.792 18714 7656 1 19 . 1 1 66 66 SER H H 66 8.184 8.184 8.767 -0.583 18714 7657 1 19 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.706 -0.003 18714 7658 1 19 . 1 1 67 67 ASN C C 67 175.196 175.196 174.655 0.541 18714 7659 1 19 . 1 1 67 67 ASN CA C 67 53.417 53.417 53.411 0.006 18714 7660 1 19 . 1 1 67 67 ASN CB C 67 38.593 38.593 37.868 0.725 18714 7661 1 19 . 1 1 68 68 GLN N N 68 120.106 120.106 121.035 -0.929 18714 7662 1 19 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.500 -0.197 18714 7663 1 19 . 1 1 68 68 GLN C C 68 175.708 175.708 175.568 0.140 18714 7664 1 19 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.072 1.101 18714 7665 1 19 . 1 1 68 68 GLN CB C 68 29.172 29.172 31.107 -1.935 18714 7666 1 19 . 1 1 68 68 GLN H H 68 8.283 8.283 8.094 0.189 18714 7667 1 19 . 1 1 69 69 CYS N N 69 119.599 119.599 123.952 -4.353 18714 7668 1 19 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.269 0.135 18714 7669 1 19 . 1 1 69 69 CYS C C 69 174.412 174.412 173.659 0.753 18714 7670 1 19 . 1 1 69 69 CYS CA C 69 58.693 58.693 59.225 -0.532 18714 7671 1 19 . 1 1 69 69 CYS CB C 69 27.610 27.610 26.881 0.729 18714 7672 1 19 . 1 1 69 69 CYS H H 69 8.313 8.313 8.583 -0.270 18714 7673 1 19 . 1 1 70 70 LEU N N 70 123.832 123.832 123.622 0.210 18714 7674 1 19 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.553 -0.286 18714 7675 1 19 . 1 1 70 70 LEU C C 70 176.645 176.645 176.250 0.395 18714 7676 1 19 . 1 1 70 70 LEU CA C 70 55.283 55.283 54.687 0.596 18714 7677 1 19 . 1 1 70 70 LEU CB C 70 42.259 42.259 43.187 -0.928 18714 7678 1 19 . 1 1 70 70 LEU H H 70 8.201 8.201 7.760 0.441 18714 7679 1 19 . 1 1 71 71 HIS N N 71 119.423 119.423 122.807 -3.384 18714 7680 1 19 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.372 0.276 18714 7681 1 19 . 1 1 71 71 HIS C C 71 174.494 174.494 174.582 -0.088 18714 7682 1 19 . 1 1 71 71 HIS CA C 71 55.424 55.424 56.715 -1.291 18714 7683 1 19 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.157 0.530 18714 7684 1 19 . 1 1 71 71 HIS H H 71 8.308 8.308 8.501 -0.193 18714 7685 1 19 . 1 1 72 72 LEU N N 72 122.990 122.990 126.563 -3.573 18714 7686 1 19 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.481 -0.148 18714 7687 1 19 . 1 1 72 72 LEU C C 72 176.645 176.645 176.602 0.043 18714 7688 1 19 . 1 1 72 72 LEU CA C 72 54.981 54.981 53.994 0.987 18714 7689 1 19 . 1 1 72 72 LEU CB C 72 42.181 42.181 43.776 -1.595 18714 7690 1 19 . 1 1 72 72 LEU H H 72 8.146 8.146 8.331 -0.185 18714 7691 1 19 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.542 0.191 18714 7692 1 19 . 1 1 73 73 ASN C C 73 173.774 173.774 174.996 -1.222 18714 7693 1 19 . 1 1 73 73 ASN CA C 73 53.033 53.033 52.608 0.425 18714 7694 1 19 . 1 1 73 73 ASN CB C 73 38.928 38.928 38.661 0.267 18714 7695 1 19 . 1 1 73 73 ASN H H 73 8.428 8.428 8.543 -0.115 18714 7696 1 20 . 1 1 4 4 PRO HA H 4 4.384 4.384 4.364 0.020 18714 7697 1 20 . 1 1 4 4 PRO C C 4 176.388 176.388 176.255 0.133 18714 7698 1 20 . 1 1 4 4 PRO CA C 4 63.097 63.097 63.403 -0.306 18714 7699 1 20 . 1 1 4 4 PRO CB C 4 32.056 32.056 31.817 0.239 18714 7700 1 20 . 1 1 5 5 ASP N N 5 120.482 120.482 124.324 -3.842 18714 7701 1 20 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.577 -0.033 18714 7702 1 20 . 1 1 5 5 ASP C C 5 176.336 176.336 177.064 -0.728 18714 7703 1 20 . 1 1 5 5 ASP CA C 5 54.322 54.322 55.239 -0.917 18714 7704 1 20 . 1 1 5 5 ASP CB C 5 41.006 41.006 41.506 -0.500 18714 7705 1 20 . 1 1 5 5 ASP H H 5 8.415 8.415 8.513 -0.098 18714 7706 1 20 . 1 1 6 6 SER N N 6 115.481 115.481 119.253 -3.772 18714 7707 1 20 . 1 1 6 6 SER HA H 6 4.326 4.326 4.469 -0.143 18714 7708 1 20 . 1 1 6 6 SER C C 6 174.494 174.494 174.096 0.398 18714 7709 1 20 . 1 1 6 6 SER CA C 6 58.559 58.559 57.501 1.058 18714 7710 1 20 . 1 1 6 6 SER CB C 6 63.461 63.461 62.872 0.589 18714 7711 1 20 . 1 1 6 6 SER H H 6 8.146 8.146 8.441 -0.295 18714 7712 1 20 . 1 1 7 7 PHE N N 7 121.475 121.475 124.517 -3.042 18714 7713 1 20 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.534 0.025 18714 7714 1 20 . 1 1 7 7 PHE C C 7 176.285 176.285 175.739 0.546 18714 7715 1 20 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.435 0.792 18714 7716 1 20 . 1 1 7 7 PHE CB C 7 39.213 39.213 38.650 0.563 18714 7717 1 20 . 1 1 7 7 PHE H H 7 8.236 8.236 7.787 0.449 18714 7718 1 20 . 1 1 8 8 GLY N N 8 109.715 109.715 113.246 -3.531 18714 7719 1 20 . 1 1 8 8 GLY C C 8 174.124 174.124 174.346 -0.222 18714 7720 1 20 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.269 1.097 18714 7721 1 20 . 1 1 8 8 GLY H H 8 8.256 8.256 8.400 -0.144 18714 7722 1 20 . 1 1 9 9 ILE N N 9 120.361 120.361 122.131 -1.770 18714 7723 1 20 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.136 -0.024 18714 7724 1 20 . 1 1 9 9 ILE C C 9 176.429 176.429 176.124 0.305 18714 7725 1 20 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.428 0.025 18714 7726 1 20 . 1 1 9 9 ILE CB C 9 38.386 38.386 36.319 2.067 18714 7727 1 20 . 1 1 9 9 ILE H H 9 7.975 7.975 8.296 -0.321 18714 7728 1 20 . 1 1 10 10 ARG N N 10 124.698 124.698 125.841 -1.143 18714 7729 1 20 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.539 -0.213 18714 7730 1 20 . 1 1 10 10 ARG C C 10 175.925 175.925 176.351 -0.426 18714 7731 1 20 . 1 1 10 10 ARG CA C 10 55.824 55.824 55.682 0.142 18714 7732 1 20 . 1 1 10 10 ARG CB C 10 30.482 30.482 30.695 -0.213 18714 7733 1 20 . 1 1 10 10 ARG H H 10 8.407 8.407 8.076 0.331 18714 7734 1 20 . 1 1 11 11 ALA N N 11 124.966 124.966 123.973 0.993 18714 7735 1 20 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.622 -0.349 18714 7736 1 20 . 1 1 11 11 ALA C C 11 177.715 177.715 176.560 1.155 18714 7737 1 20 . 1 1 11 11 ALA CA C 11 52.525 52.525 51.707 0.818 18714 7738 1 20 . 1 1 11 11 ALA CB C 11 19.094 19.094 20.220 -1.126 18714 7739 1 20 . 1 1 11 11 ALA H H 11 8.257 8.257 7.718 0.539 18714 7740 1 20 . 1 1 12 12 LYS N N 12 120.850 120.850 119.805 1.045 18714 7741 1 20 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.447 -0.122 18714 7742 1 20 . 1 1 12 12 LYS C C 12 176.655 176.655 176.793 -0.138 18714 7743 1 20 . 1 1 12 12 LYS CA C 12 56.114 56.114 55.295 0.818 18714 7744 1 20 . 1 1 12 12 LYS CB C 12 32.985 32.985 33.467 -0.482 18714 7745 1 20 . 1 1 12 12 LYS H H 12 8.217 8.217 8.255 -0.038 18714 7746 1 20 . 1 1 13 13 LYS N N 13 122.258 122.258 122.664 -0.406 18714 7747 1 20 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.545 0.063 18714 7748 1 20 . 1 1 13 13 LYS C C 13 177.005 177.005 177.516 -0.511 18714 7749 1 20 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.391 -0.515 18714 7750 1 20 . 1 1 13 13 LYS CB C 13 33.731 33.731 31.731 2.000 18714 7751 1 20 . 1 1 13 13 LYS H H 13 8.317 8.317 8.360 -0.043 18714 7752 1 20 . 1 1 14 14 THR N N 14 113.409 113.409 117.153 -3.744 18714 7753 1 20 . 1 1 14 14 THR HA H 14 4.387 4.387 4.456 -0.069 18714 7754 1 20 . 1 1 14 14 THR C C 14 175.215 175.215 175.903 -0.688 18714 7755 1 20 . 1 1 14 14 THR CA C 14 61.057 61.057 60.963 0.094 18714 7756 1 20 . 1 1 14 14 THR CB C 14 70.754 70.754 70.371 0.383 18714 7757 1 20 . 1 1 14 14 THR H H 14 8.747 8.747 8.251 0.496 18714 7758 1 20 . 1 1 15 15 LYS N N 15 120.711 120.711 122.243 -1.532 18714 7759 1 20 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.098 -0.135 18714 7760 1 20 . 1 1 15 15 LYS C C 15 178.898 178.898 179.074 -0.176 18714 7761 1 20 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.110 0.477 18714 7762 1 20 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.052 -0.036 18714 7763 1 20 . 1 1 15 15 LYS H H 15 8.804 8.804 8.800 0.004 18714 7764 1 20 . 1 1 16 16 GLU N N 16 119.447 119.447 118.148 1.299 18714 7765 1 20 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.019 0.025 18714 7766 1 20 . 1 1 16 16 GLU C C 16 179.536 179.536 178.468 1.068 18714 7767 1 20 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.295 0.816 18714 7768 1 20 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.202 -0.505 18714 7769 1 20 . 1 1 16 16 GLU H H 16 8.715 8.715 8.568 0.147 18714 7770 1 20 . 1 1 17 17 GLN N N 17 119.610 119.610 118.667 0.943 18714 7771 1 20 . 1 1 17 17 GLN HA H 17 3.861 3.861 4.045 -0.184 18714 7772 1 20 . 1 1 17 17 GLN C C 17 177.725 177.725 178.140 -0.415 18714 7773 1 20 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.487 0.398 18714 7774 1 20 . 1 1 17 17 GLN CB C 17 28.701 28.701 29.207 -0.506 18714 7775 1 20 . 1 1 17 17 GLN H H 17 7.811 7.811 7.552 0.259 18714 7776 1 20 . 1 1 18 18 LEU N N 18 116.893 116.893 119.903 -3.010 18714 7777 1 20 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.795 -0.211 18714 7778 1 20 . 1 1 18 18 LEU C C 18 178.250 178.250 178.130 0.120 18714 7779 1 20 . 1 1 18 18 LEU CA C 18 57.228 57.228 56.964 0.264 18714 7780 1 20 . 1 1 18 18 LEU CB C 18 41.663 41.663 42.097 -0.434 18714 7781 1 20 . 1 1 18 18 LEU H H 18 8.190 8.190 8.320 -0.130 18714 7782 1 20 . 1 1 19 19 ALA N N 19 120.561 120.561 120.644 -0.083 18714 7783 1 20 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.979 0.008 18714 7784 1 20 . 1 1 19 19 ALA C C 19 180.071 180.071 179.508 0.563 18714 7785 1 20 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.452 -0.321 18714 7786 1 20 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.901 0.020 18714 7787 1 20 . 1 1 19 19 ALA H H 19 8.013 8.013 7.712 0.301 18714 7788 1 20 . 1 1 20 20 GLU N N 20 115.648 115.648 118.510 -2.862 18714 7789 1 20 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.066 -0.029 18714 7790 1 20 . 1 1 20 20 GLU C C 20 179.526 179.526 179.111 0.415 18714 7791 1 20 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.980 -1.036 18714 7792 1 20 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.081 -0.221 18714 7793 1 20 . 1 1 20 20 GLU H H 20 7.165 7.165 7.862 -0.697 18714 7794 1 20 . 1 1 21 21 LEU N N 21 120.140 120.140 119.988 0.152 18714 7795 1 20 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.968 -0.410 18714 7796 1 20 . 1 1 21 21 LEU C C 21 177.344 177.344 178.776 -1.432 18714 7797 1 20 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.188 0.723 18714 7798 1 20 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.727 -2.895 18714 7799 1 20 . 1 1 21 21 LEU H H 21 7.428 7.428 7.289 0.139 18714 7800 1 20 . 1 1 22 22 LYS N N 22 117.352 117.352 119.824 -2.472 18714 7801 1 20 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.275 -0.299 18714 7802 1 20 . 1 1 22 22 LYS C C 22 178.805 178.805 179.118 -0.313 18714 7803 1 20 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.097 1.185 18714 7804 1 20 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.255 -0.081 18714 7805 1 20 . 1 1 22 22 LYS H H 22 8.021 8.021 7.645 0.376 18714 7806 1 20 . 1 1 23 23 VAL N N 23 117.470 117.470 118.872 -1.402 18714 7807 1 20 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.852 -0.155 18714 7808 1 20 . 1 1 23 23 VAL C C 23 178.291 178.291 178.256 0.035 18714 7809 1 20 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.309 0.112 18714 7810 1 20 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.896 0.814 18714 7811 1 20 . 1 1 23 23 VAL H H 23 7.618 7.618 8.092 -0.474 18714 7812 1 20 . 1 1 24 24 SER N N 24 113.371 113.371 116.013 -2.642 18714 7813 1 20 . 1 1 24 24 SER HA H 24 4.247 4.247 4.258 -0.011 18714 7814 1 20 . 1 1 24 24 SER C C 24 177.015 177.015 176.942 0.073 18714 7815 1 20 . 1 1 24 24 SER CA C 24 61.550 61.550 61.887 -0.337 18714 7816 1 20 . 1 1 24 24 SER CB C 24 62.987 62.987 63.219 -0.232 18714 7817 1 20 . 1 1 24 24 SER H H 24 7.340 7.340 7.719 -0.379 18714 7818 1 20 . 1 1 25 25 TYR N N 25 120.532 120.532 123.090 -2.558 18714 7819 1 20 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.891 -0.639 18714 7820 1 20 . 1 1 25 25 TYR C C 25 176.470 176.470 177.231 -0.761 18714 7821 1 20 . 1 1 25 25 TYR CA C 25 61.795 61.795 60.932 0.863 18714 7822 1 20 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.368 0.243 18714 7823 1 20 . 1 1 25 25 TYR H H 25 8.888 8.888 7.850 1.038 18714 7824 1 20 . 1 1 26 26 LEU N N 26 115.079 115.079 118.021 -2.942 18714 7825 1 20 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.823 0.212 18714 7826 1 20 . 1 1 26 26 LEU C C 26 179.021 179.021 178.581 0.440 18714 7827 1 20 . 1 1 26 26 LEU CA C 26 56.850 56.850 57.023 -0.173 18714 7828 1 20 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.919 0.064 18714 7829 1 20 . 1 1 26 26 LEU H H 26 7.953 7.953 7.903 0.050 18714 7830 1 20 . 1 1 27 27 LYS N N 27 119.058 119.058 116.916 2.142 18714 7831 1 20 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.203 -0.034 18714 7832 1 20 . 1 1 27 27 LYS C C 27 177.375 177.375 176.629 0.746 18714 7833 1 20 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.530 0.971 18714 7834 1 20 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.565 -0.932 18714 7835 1 20 . 1 1 27 27 LYS H H 27 7.503 7.503 7.648 -0.145 18714 7836 1 20 . 1 1 28 28 ASN N N 28 116.296 116.296 115.572 0.724 18714 7837 1 20 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.912 -0.392 18714 7838 1 20 . 1 1 28 28 ASN C C 28 174.134 174.134 174.440 -0.306 18714 7839 1 20 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.870 0.836 18714 7840 1 20 . 1 1 28 28 ASN CB C 28 39.366 39.366 39.977 -0.611 18714 7841 1 20 . 1 1 28 28 ASN H H 28 8.163 8.163 7.786 0.377 18714 7842 1 20 . 1 1 29 29 GLN N N 29 123.819 123.819 121.805 2.014 18714 7843 1 20 . 1 1 29 29 GLN HA H 29 3.850 3.850 4.481 -0.631 18714 7844 1 20 . 1 1 29 29 GLN C C 29 173.785 173.785 175.222 -1.437 18714 7845 1 20 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.247 0.355 18714 7846 1 20 . 1 1 29 29 GLN CB C 29 28.230 28.230 29.271 -1.041 18714 7847 1 20 . 1 1 29 29 GLN H H 29 8.560 8.560 8.758 -0.198 18714 7848 1 20 . 1 1 30 30 PHE N N 30 116.997 116.997 118.011 -1.014 18714 7849 1 20 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.746 -0.004 18714 7850 1 20 . 1 1 30 30 PHE CA C 30 53.470 53.470 55.606 -2.136 18714 7851 1 20 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.953 -0.817 18714 7852 1 20 . 1 1 30 30 PHE H H 30 8.014 8.014 7.759 0.255 18714 7853 1 20 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.412 -0.433 18714 7854 1 20 . 1 1 31 31 PRO C C 31 177.285 177.285 176.154 1.131 18714 7855 1 20 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.175 0.089 18714 7856 1 20 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.671 -1.894 18714 7857 1 20 . 1 1 32 32 HIS N N 32 120.779 120.779 119.491 1.288 18714 7858 1 20 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.511 0.064 18714 7859 1 20 . 1 1 32 32 HIS C C 32 176.601 176.601 177.112 -0.511 18714 7860 1 20 . 1 1 32 32 HIS CA C 32 55.416 55.416 57.193 -1.777 18714 7861 1 20 . 1 1 32 32 HIS CB C 32 31.396 31.396 31.445 -0.049 18714 7862 1 20 . 1 1 32 32 HIS H H 32 8.401 8.401 8.472 -0.071 18714 7863 1 20 . 1 1 33 33 ASP N N 33 124.390 124.390 122.768 1.622 18714 7864 1 20 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.345 -0.069 18714 7865 1 20 . 1 1 33 33 ASP C C 33 178.064 178.064 178.008 0.056 18714 7866 1 20 . 1 1 33 33 ASP CA C 33 58.486 58.486 57.739 0.747 18714 7867 1 20 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.724 -0.273 18714 7868 1 20 . 1 1 33 33 ASP H H 33 8.691 8.691 8.829 -0.138 18714 7869 1 20 . 1 1 34 34 SER N N 34 114.256 114.256 115.686 -1.430 18714 7870 1 20 . 1 1 34 34 SER HA H 34 4.109 4.109 4.174 -0.065 18714 7871 1 20 . 1 1 34 34 SER C C 34 176.645 176.645 175.910 0.735 18714 7872 1 20 . 1 1 34 34 SER CA C 34 60.282 60.282 62.017 -1.734 18714 7873 1 20 . 1 1 34 34 SER CB C 34 61.931 61.931 62.537 -0.606 18714 7874 1 20 . 1 1 34 34 SER H H 34 9.494 9.494 8.579 0.915 18714 7875 1 20 . 1 1 35 35 GLU N N 35 126.075 126.075 123.081 2.994 18714 7876 1 20 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.149 0.754 18714 7877 1 20 . 1 1 35 35 GLU C C 35 177.715 177.715 178.580 -0.865 18714 7878 1 20 . 1 1 35 35 GLU CA C 35 56.884 56.884 58.977 -2.094 18714 7879 1 20 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.494 -0.973 18714 7880 1 20 . 1 1 35 35 GLU H H 35 7.493 7.493 8.171 -0.678 18714 7881 1 20 . 1 1 36 36 ILE N N 36 120.906 120.906 119.891 1.015 18714 7882 1 20 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.723 -0.120 18714 7883 1 20 . 1 1 36 36 ILE C C 36 177.725 177.725 177.969 -0.244 18714 7884 1 20 . 1 1 36 36 ILE CA C 36 64.945 64.945 64.925 0.020 18714 7885 1 20 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.936 -2.063 18714 7886 1 20 . 1 1 36 36 ILE H H 36 7.697 7.697 8.056 -0.359 18714 7887 1 20 . 1 1 37 37 ILE N N 37 119.451 119.451 119.882 -0.431 18714 7888 1 20 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.733 0.226 18714 7889 1 20 . 1 1 37 37 ILE C C 37 178.085 178.085 178.224 -0.139 18714 7890 1 20 . 1 1 37 37 ILE CA C 37 64.734 64.734 64.766 -0.032 18714 7891 1 20 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.318 0.463 18714 7892 1 20 . 1 1 37 37 ILE H H 37 8.229 8.229 7.417 0.812 18714 7893 1 20 . 1 1 38 38 ARG N N 38 122.344 122.344 120.303 2.041 18714 7894 1 20 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.059 -0.091 18714 7895 1 20 . 1 1 38 38 ARG C C 38 179.165 179.165 178.546 0.619 18714 7896 1 20 . 1 1 38 38 ARG CA C 38 59.921 59.921 58.641 1.280 18714 7897 1 20 . 1 1 38 38 ARG CB C 38 30.663 30.663 29.510 1.153 18714 7898 1 20 . 1 1 38 38 ARG H H 38 7.664 7.664 7.506 0.158 18714 7899 1 20 . 1 1 39 39 LEU N N 39 117.479 117.479 119.286 -1.807 18714 7900 1 20 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.966 0.060 18714 7901 1 20 . 1 1 39 39 LEU C C 39 181.316 181.316 179.247 2.069 18714 7902 1 20 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.644 -0.064 18714 7903 1 20 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.673 1.711 18714 7904 1 20 . 1 1 39 39 LEU H H 39 8.629 8.629 7.464 1.165 18714 7905 1 20 . 1 1 40 40 MET N N 40 126.468 126.468 118.643 7.825 18714 7906 1 20 . 1 1 40 40 MET HA H 40 3.957 3.957 4.220 -0.263 18714 7907 1 20 . 1 1 40 40 MET C C 40 178.466 178.466 178.773 -0.307 18714 7908 1 20 . 1 1 40 40 MET CA C 40 60.109 60.109 59.091 1.018 18714 7909 1 20 . 1 1 40 40 MET CB C 40 34.065 34.065 32.872 1.193 18714 7910 1 20 . 1 1 40 40 MET H H 40 9.112 9.112 8.204 0.908 18714 7911 1 20 . 1 1 41 41 LYS N N 41 119.282 119.282 118.685 0.597 18714 7912 1 20 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.140 -0.100 18714 7913 1 20 . 1 1 41 41 LYS C C 41 178.805 178.805 178.910 -0.105 18714 7914 1 20 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.449 0.766 18714 7915 1 20 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.143 -0.016 18714 7916 1 20 . 1 1 41 41 LYS H H 41 7.721 7.721 7.707 0.014 18714 7917 1 20 . 1 1 42 42 ILE N N 42 114.582 114.582 119.150 -4.568 18714 7918 1 20 . 1 1 42 42 ILE HA H 42 4.150 4.150 3.962 0.188 18714 7919 1 20 . 1 1 42 42 ILE C C 42 177.365 177.365 177.631 -0.266 18714 7920 1 20 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.255 -0.538 18714 7921 1 20 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.524 1.306 18714 7922 1 20 . 1 1 42 42 ILE H H 42 7.804 7.804 7.524 0.280 18714 7923 1 20 . 1 1 43 43 THR N N 43 107.511 107.511 112.062 -4.551 18714 7924 1 20 . 1 1 43 43 THR HA H 43 4.536 4.536 4.179 0.357 18714 7925 1 20 . 1 1 43 43 THR C C 43 176.120 176.120 176.106 0.014 18714 7926 1 20 . 1 1 43 43 THR CA C 43 63.136 63.136 64.394 -1.258 18714 7927 1 20 . 1 1 43 43 THR CB C 43 72.060 72.060 70.127 1.933 18714 7928 1 20 . 1 1 43 43 THR H H 43 8.313 8.313 8.230 0.083 18714 7929 1 20 . 1 1 44 44 GLY N N 44 111.235 111.235 110.050 1.185 18714 7930 1 20 . 1 1 44 44 GLY C C 44 174.134 174.134 174.115 0.019 18714 7931 1 20 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.821 0.984 18714 7932 1 20 . 1 1 44 44 GLY H H 44 8.055 8.055 7.939 0.116 18714 7933 1 20 . 1 1 45 45 LEU N N 45 120.586 120.586 119.562 1.024 18714 7934 1 20 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.604 -0.099 18714 7935 1 20 . 1 1 45 45 LEU C C 45 176.634 176.634 176.524 0.110 18714 7936 1 20 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.897 -0.140 18714 7937 1 20 . 1 1 45 45 LEU CB C 45 43.306 43.306 42.742 0.564 18714 7938 1 20 . 1 1 45 45 LEU H H 45 7.708 7.708 7.622 0.086 18714 7939 1 20 . 1 1 46 46 THR N N 46 109.308 109.308 108.382 0.926 18714 7940 1 20 . 1 1 46 46 THR HA H 46 4.325 4.325 4.501 -0.176 18714 7941 1 20 . 1 1 46 46 THR C C 46 175.215 175.215 175.260 -0.045 18714 7942 1 20 . 1 1 46 46 THR CA C 46 60.914 60.914 60.800 0.114 18714 7943 1 20 . 1 1 46 46 THR CB C 46 71.237 71.237 70.507 0.730 18714 7944 1 20 . 1 1 46 46 THR H H 46 8.570 8.570 7.971 0.599 18714 7945 1 20 . 1 1 47 47 LYS N N 47 121.342 121.342 122.599 -1.257 18714 7946 1 20 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.989 -0.304 18714 7947 1 20 . 1 1 47 47 LYS C C 47 178.805 178.805 178.643 0.162 18714 7948 1 20 . 1 1 47 47 LYS CA C 47 60.792 60.792 59.964 0.828 18714 7949 1 20 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.215 0.119 18714 7950 1 20 . 1 1 47 47 LYS H H 47 8.797 8.797 8.914 -0.117 18714 7951 1 20 . 1 1 48 48 GLY N N 48 104.143 104.143 106.961 -2.818 18714 7952 1 20 . 1 1 48 48 GLY C C 48 177.149 177.149 176.540 0.609 18714 7953 1 20 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.736 0.153 18714 7954 1 20 . 1 1 48 48 GLY H H 48 8.715 8.715 8.322 0.393 18714 7955 1 20 . 1 1 49 49 GLU N N 49 121.943 121.943 122.158 -0.215 18714 7956 1 20 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.099 -0.009 18714 7957 1 20 . 1 1 49 49 GLU C C 49 179.886 179.886 179.104 0.782 18714 7958 1 20 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.572 -0.389 18714 7959 1 20 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.569 1.121 18714 7960 1 20 . 1 1 49 49 GLU H H 49 7.851 7.851 7.927 -0.076 18714 7961 1 20 . 1 1 50 50 ILE N N 50 121.748 121.748 120.217 1.531 18714 7962 1 20 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.960 -0.200 18714 7963 1 20 . 1 1 50 50 ILE C C 50 177.735 177.735 178.216 -0.481 18714 7964 1 20 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.212 0.906 18714 7965 1 20 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.865 0.247 18714 7966 1 20 . 1 1 50 50 ILE H H 50 8.224 8.224 7.686 0.538 18714 7967 1 20 . 1 1 51 51 LYS N N 51 119.119 119.119 119.340 -0.221 18714 7968 1 20 . 1 1 51 51 LYS HA H 51 4.061 4.061 3.983 0.078 18714 7969 1 20 . 1 1 51 51 LYS C C 51 179.526 179.526 179.240 0.286 18714 7970 1 20 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.210 1.910 18714 7971 1 20 . 1 1 51 51 LYS CB C 51 31.896 31.896 31.802 0.094 18714 7972 1 20 . 1 1 51 51 LYS H H 51 8.842 8.842 8.207 0.635 18714 7973 1 20 . 1 1 52 52 LYS N N 52 120.252 120.252 119.481 0.771 18714 7974 1 20 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.104 0.090 18714 7975 1 20 . 1 1 52 52 LYS C C 52 176.830 176.830 178.637 -1.807 18714 7976 1 20 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.364 -0.614 18714 7977 1 20 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.452 -0.065 18714 7978 1 20 . 1 1 52 52 LYS H H 52 8.208 8.208 7.693 0.515 18714 7979 1 20 . 1 1 53 53 TRP N N 53 120.333 120.333 121.959 -1.626 18714 7980 1 20 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.311 -0.122 18714 7981 1 20 . 1 1 53 53 TRP C C 53 180.266 180.266 178.288 1.978 18714 7982 1 20 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.423 1.296 18714 7983 1 20 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.537 -1.383 18714 7984 1 20 . 1 1 53 53 TRP H H 53 8.132 8.132 8.049 0.083 18714 7985 1 20 . 1 1 54 54 PHE N N 54 120.742 120.742 116.052 4.690 18714 7986 1 20 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.966 -0.252 18714 7987 1 20 . 1 1 54 54 PHE C C 54 177.488 177.488 178.160 -0.672 18714 7988 1 20 . 1 1 54 54 PHE CA C 54 63.893 63.893 61.989 1.904 18714 7989 1 20 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.607 0.795 18714 7990 1 20 . 1 1 54 54 PHE H H 54 8.903 8.903 8.731 0.172 18714 7991 1 20 . 1 1 55 55 SER N N 55 113.136 113.136 115.311 -2.175 18714 7992 1 20 . 1 1 55 55 SER HA H 55 4.063 4.063 4.342 -0.279 18714 7993 1 20 . 1 1 55 55 SER C C 55 177.571 177.571 176.640 0.931 18714 7994 1 20 . 1 1 55 55 SER CA C 55 62.419 62.419 61.385 1.034 18714 7995 1 20 . 1 1 55 55 SER CB C 55 62.673 62.673 62.806 -0.133 18714 7996 1 20 . 1 1 55 55 SER H H 55 8.136 8.136 7.647 0.489 18714 7997 1 20 . 1 1 56 56 ASP N N 56 122.871 122.871 121.696 1.175 18714 7998 1 20 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.508 -0.210 18714 7999 1 20 . 1 1 56 56 ASP C C 56 178.085 178.085 178.509 -0.424 18714 8000 1 20 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.167 -0.204 18714 8001 1 20 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.496 -0.775 18714 8002 1 20 . 1 1 56 56 ASP H H 56 9.091 9.091 7.980 1.111 18714 8003 1 20 . 1 1 57 57 THR N N 57 118.957 118.957 116.242 2.715 18714 8004 1 20 . 1 1 57 57 THR HA H 57 3.335 3.335 3.665 -0.330 18714 8005 1 20 . 1 1 57 57 THR C C 57 175.925 175.925 175.759 0.166 18714 8006 1 20 . 1 1 57 57 THR CA C 57 67.064 67.064 65.802 1.262 18714 8007 1 20 . 1 1 57 57 THR CB C 57 67.387 67.387 67.614 -0.227 18714 8008 1 20 . 1 1 57 57 THR H H 57 7.926 7.926 7.871 0.055 18714 8009 1 20 . 1 1 58 58 ARG N N 58 120.980 120.980 122.346 -1.366 18714 8010 1 20 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.130 0.071 18714 8011 1 20 . 1 1 58 58 ARG C C 58 179.536 179.536 178.006 1.530 18714 8012 1 20 . 1 1 58 58 ARG CA C 58 59.976 59.976 59.332 0.644 18714 8013 1 20 . 1 1 58 58 ARG CB C 58 31.394 31.394 30.029 1.365 18714 8014 1 20 . 1 1 58 58 ARG H H 58 8.139 8.139 7.323 0.816 18714 8015 1 20 . 1 1 59 59 TYR N N 59 119.449 119.449 119.014 0.435 18714 8016 1 20 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.161 -0.017 18714 8017 1 20 . 1 1 59 59 TYR C C 59 178.075 178.075 176.372 1.703 18714 8018 1 20 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.088 0.232 18714 8019 1 20 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.248 -0.246 18714 8020 1 20 . 1 1 59 59 TYR H H 59 8.004 8.004 7.914 0.090 18714 8021 1 20 . 1 1 60 60 ASN N N 60 118.169 118.169 115.712 2.457 18714 8022 1 20 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.325 0.029 18714 8023 1 20 . 1 1 60 60 ASN C C 60 177.005 177.005 177.537 -0.532 18714 8024 1 20 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.100 0.060 18714 8025 1 20 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.507 -0.215 18714 8026 1 20 . 1 1 60 60 ASN H H 60 8.354 8.354 7.741 0.613 18714 8027 1 20 . 1 1 61 61 GLN N N 61 118.671 118.671 117.789 0.882 18714 8028 1 20 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.140 0.001 18714 8029 1 20 . 1 1 61 61 GLN C C 61 177.046 177.046 177.225 -0.179 18714 8030 1 20 . 1 1 61 61 GLN CA C 61 57.217 57.217 57.932 -0.715 18714 8031 1 20 . 1 1 61 61 GLN CB C 61 28.466 28.466 29.349 -0.884 18714 8032 1 20 . 1 1 61 61 GLN H H 61 7.971 7.971 7.818 0.153 18714 8033 1 20 . 1 1 62 62 ARG N N 62 119.140 119.140 114.284 4.856 18714 8034 1 20 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.316 -0.127 18714 8035 1 20 . 1 1 62 62 ARG C C 62 176.655 176.655 176.501 0.154 18714 8036 1 20 . 1 1 62 62 ARG CA C 62 57.462 57.462 55.885 1.577 18714 8037 1 20 . 1 1 62 62 ARG CB C 62 29.896 29.896 31.208 -1.312 18714 8038 1 20 . 1 1 62 62 ARG H H 62 7.690 7.690 7.550 0.140 18714 8039 1 20 . 1 1 63 63 ASN N N 63 117.472 117.472 119.459 -1.987 18714 8040 1 20 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.533 0.201 18714 8041 1 20 . 1 1 63 63 ASN C C 63 175.194 175.194 174.483 0.711 18714 8042 1 20 . 1 1 63 63 ASN CA C 63 53.141 53.141 53.886 -0.745 18714 8043 1 20 . 1 1 63 63 ASN CB C 63 38.875 38.875 38.406 0.469 18714 8044 1 20 . 1 1 63 63 ASN H H 63 8.003 8.003 8.047 -0.044 18714 8045 1 20 . 1 1 64 64 SER N N 64 115.768 115.768 115.138 0.630 18714 8046 1 20 . 1 1 64 64 SER HA H 64 4.402 4.402 4.503 -0.101 18714 8047 1 20 . 1 1 64 64 SER C C 64 174.721 174.721 173.836 0.885 18714 8048 1 20 . 1 1 64 64 SER CA C 64 58.758 58.758 59.161 -0.403 18714 8049 1 20 . 1 1 64 64 SER CB C 64 63.620 63.620 63.949 -0.329 18714 8050 1 20 . 1 1 64 64 SER H H 64 7.942 7.942 8.643 -0.701 18714 8051 1 20 . 1 1 65 65 LYS N N 65 122.579 122.579 119.111 3.468 18714 8052 1 20 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.445 -0.135 18714 8053 1 20 . 1 1 65 65 LYS C C 65 176.665 176.665 177.244 -0.579 18714 8054 1 20 . 1 1 65 65 LYS CA C 65 56.366 56.366 57.301 -0.935 18714 8055 1 20 . 1 1 65 65 LYS CB C 65 33.054 33.054 32.905 0.149 18714 8056 1 20 . 1 1 65 65 LYS H H 65 8.319 8.319 8.449 -0.130 18714 8057 1 20 . 1 1 66 66 SER N N 66 115.560 115.560 115.749 -0.189 18714 8058 1 20 . 1 1 66 66 SER HA H 66 4.425 4.425 4.527 -0.102 18714 8059 1 20 . 1 1 66 66 SER CA C 66 58.577 58.577 58.136 0.441 18714 8060 1 20 . 1 1 66 66 SER CB C 66 63.670 63.670 64.166 -0.496 18714 8061 1 20 . 1 1 66 66 SER H H 66 8.184 8.184 8.068 0.116 18714 8062 1 20 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.568 0.135 18714 8063 1 20 . 1 1 67 67 ASN C C 67 175.196 175.196 174.362 0.834 18714 8064 1 20 . 1 1 67 67 ASN CA C 67 53.417 53.417 54.227 -0.810 18714 8065 1 20 . 1 1 67 67 ASN CB C 67 38.593 38.593 38.319 0.274 18714 8066 1 20 . 1 1 68 68 GLN N N 68 120.106 120.106 116.913 3.193 18714 8067 1 20 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.002 0.301 18714 8068 1 20 . 1 1 68 68 GLN C C 68 175.708 175.708 174.631 1.077 18714 8069 1 20 . 1 1 68 68 GLN CA C 68 56.172 56.172 56.755 -0.583 18714 8070 1 20 . 1 1 68 68 GLN CB C 68 29.172 29.172 27.782 1.390 18714 8071 1 20 . 1 1 68 68 GLN H H 68 8.283 8.283 8.671 -0.388 18714 8072 1 20 . 1 1 69 69 CYS N N 69 119.599 119.599 117.652 1.947 18714 8073 1 20 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.373 0.031 18714 8074 1 20 . 1 1 69 69 CYS C C 69 174.412 174.412 175.294 -0.882 18714 8075 1 20 . 1 1 69 69 CYS CA C 69 58.693 58.693 58.711 -0.018 18714 8076 1 20 . 1 1 69 69 CYS CB C 69 27.610 27.610 27.836 -0.226 18714 8077 1 20 . 1 1 69 69 CYS H H 69 8.313 8.313 8.279 0.034 18714 8078 1 20 . 1 1 70 70 LEU N N 70 123.832 123.832 121.848 1.984 18714 8079 1 20 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.259 0.008 18714 8080 1 20 . 1 1 70 70 LEU C C 70 176.645 176.645 175.949 0.696 18714 8081 1 20 . 1 1 70 70 LEU CA C 70 55.283 55.283 54.979 0.304 18714 8082 1 20 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.209 0.050 18714 8083 1 20 . 1 1 70 70 LEU H H 70 8.201 8.201 7.382 0.819 18714 8084 1 20 . 1 1 71 71 HIS N N 71 119.423 119.423 119.988 -0.565 18714 8085 1 20 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.570 0.078 18714 8086 1 20 . 1 1 71 71 HIS C C 71 174.494 174.494 174.495 -0.001 18714 8087 1 20 . 1 1 71 71 HIS CA C 71 55.424 55.424 54.867 0.556 18714 8088 1 20 . 1 1 71 71 HIS CB C 71 29.687 29.687 31.343 -1.656 18714 8089 1 20 . 1 1 71 71 HIS H H 71 8.308 8.308 8.329 -0.021 18714 8090 1 20 . 1 1 72 72 LEU N N 72 122.990 122.990 125.234 -2.244 18714 8091 1 20 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.270 0.063 18714 8092 1 20 . 1 1 72 72 LEU C C 72 176.645 176.645 177.156 -0.511 18714 8093 1 20 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.306 0.675 18714 8094 1 20 . 1 1 72 72 LEU CB C 72 42.181 42.181 43.104 -0.923 18714 8095 1 20 . 1 1 72 72 LEU H H 72 8.146 8.146 8.453 -0.307 18714 8096 1 20 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.600 0.133 18714 8097 1 20 . 1 1 73 73 ASN C C 73 173.774 173.774 174.830 -1.056 18714 8098 1 20 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.457 -0.424 18714 8099 1 20 . 1 1 73 73 ASN CB C 73 38.928 38.928 37.423 1.505 18714 8100 1 20 . 1 1 73 73 ASN H H 73 8.428 8.428 8.569 -0.141 18714 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 66 2.665 0.148 2.682 18714 2 1 1 "Average Difference" HA 67 0.267 0.029 0.267 18714 3 1 1 "Average Difference" C 68 0.771 -0.057 0.774 18714 4 1 1 "Average Difference" CA 70 1.077 -0.003 1.084 18714 5 1 1 "Average Difference" CB 67 1.118 -0.010 1.126 18714 6 1 1 "Average Difference" HN 67 0.455 -0.149 0.433 18714 7 1 2 "Average Difference" N 66 2.549 0.422 2.534 18714 8 1 2 "Average Difference" HA 67 0.220 0.026 0.220 18714 9 1 2 "Average Difference" C 68 0.866 -0.095 0.868 18714 10 1 2 "Average Difference" CA 70 0.872 -0.112 0.871 18714 11 1 2 "Average Difference" CB 67 1.005 -0.075 1.010 18714 12 1 2 "Average Difference" HN 67 0.494 -0.228 0.441 18714 13 1 3 "Average Difference" N 66 3.122 0.645 3.078 18714 14 1 3 "Average Difference" HA 67 0.230 0.024 0.230 18714 15 1 3 "Average Difference" C 68 0.751 -0.058 0.754 18714 16 1 3 "Average Difference" CA 70 0.813 -0.050 0.818 18714 17 1 3 "Average Difference" CB 67 0.873 -0.004 0.880 18714 18 1 3 "Average Difference" HN 67 0.391 -0.126 0.373 18714 19 1 4 "Average Difference" N 66 2.302 0.331 2.295 18714 20 1 4 "Average Difference" HA 67 0.216 0.046 0.213 18714 21 1 4 "Average Difference" C 68 0.823 -0.169 0.812 18714 22 1 4 "Average Difference" CA 70 0.888 -0.180 0.876 18714 23 1 4 "Average Difference" CB 67 1.036 -0.031 1.043 18714 24 1 4 "Average Difference" HN 67 0.440 -0.187 0.401 18714 25 1 5 "Average Difference" N 66 2.551 0.656 2.484 18714 26 1 5 "Average Difference" HA 67 0.225 0.043 0.222 18714 27 1 5 "Average Difference" C 68 0.834 -0.156 0.825 18714 28 1 5 "Average Difference" CA 70 0.860 0.005 0.866 18714 29 1 5 "Average Difference" CB 67 0.961 -0.049 0.967 18714 30 1 5 "Average Difference" HN 67 0.406 -0.151 0.380 18714 31 1 6 "Average Difference" N 66 2.693 0.088 2.712 18714 32 1 6 "Average Difference" HA 67 0.229 0.043 0.227 18714 33 1 6 "Average Difference" C 68 0.752 -0.153 0.742 18714 34 1 6 "Average Difference" CA 70 0.923 -0.164 0.915 18714 35 1 6 "Average Difference" CB 67 1.001 0.014 1.008 18714 36 1 6 "Average Difference" HN 67 0.474 -0.163 0.449 18714 37 1 7 "Average Difference" N 66 3.035 0.349 3.038 18714 38 1 7 "Average Difference" HA 67 0.236 0.044 0.234 18714 39 1 7 "Average Difference" C 68 0.770 -0.149 0.761 18714 40 1 7 "Average Difference" CA 70 1.034 -0.125 1.034 18714 41 1 7 "Average Difference" CB 67 1.001 -0.077 1.006 18714 42 1 7 "Average Difference" HN 67 0.435 -0.146 0.413 18714 43 1 8 "Average Difference" N 66 3.159 0.749 3.092 18714 44 1 8 "Average Difference" HA 67 0.209 0.029 0.208 18714 45 1 8 "Average Difference" C 68 0.830 -0.180 0.816 18714 46 1 8 "Average Difference" CA 70 0.991 -0.153 0.986 18714 47 1 8 "Average Difference" CB 67 0.994 0.020 1.001 18714 48 1 8 "Average Difference" HN 67 0.503 -0.179 0.474 18714 49 1 9 "Average Difference" N 66 2.619 0.214 2.630 18714 50 1 9 "Average Difference" HA 67 0.206 0.039 0.204 18714 51 1 9 "Average Difference" C 68 0.845 -0.096 0.845 18714 52 1 9 "Average Difference" CA 70 0.919 -0.155 0.913 18714 53 1 9 "Average Difference" CB 67 0.988 -0.117 0.989 18714 54 1 9 "Average Difference" HN 67 0.434 -0.192 0.392 18714 55 1 10 "Average Difference" N 66 2.687 0.107 2.706 18714 56 1 10 "Average Difference" HA 67 0.235 0.022 0.236 18714 57 1 10 "Average Difference" C 68 0.742 -0.042 0.747 18714 58 1 10 "Average Difference" CA 70 0.797 -0.032 0.803 18714 59 1 10 "Average Difference" CB 67 0.900 0.016 0.906 18714 60 1 10 "Average Difference" HN 67 0.416 -0.140 0.395 18714 61 1 11 "Average Difference" N 66 2.944 0.997 2.791 18714 62 1 11 "Average Difference" HA 67 0.222 0.067 0.214 18714 63 1 11 "Average Difference" C 68 0.855 -0.217 0.833 18714 64 1 11 "Average Difference" CA 70 0.813 -0.172 0.801 18714 65 1 11 "Average Difference" CB 67 0.944 0.025 0.951 18714 66 1 11 "Average Difference" HN 67 0.433 -0.139 0.413 18714 67 1 12 "Average Difference" N 66 2.503 0.485 2.474 18714 68 1 12 "Average Difference" HA 67 0.208 0.042 0.206 18714 69 1 12 "Average Difference" C 68 0.923 -0.169 0.914 18714 70 1 12 "Average Difference" CA 70 0.776 -0.100 0.775 18714 71 1 12 "Average Difference" CB 67 1.000 0.000 1.007 18714 72 1 12 "Average Difference" HN 67 0.427 -0.128 0.411 18714 73 1 13 "Average Difference" N 66 3.025 0.500 3.006 18714 74 1 13 "Average Difference" HA 67 0.236 0.067 0.228 18714 75 1 13 "Average Difference" C 68 0.804 -0.283 0.758 18714 76 1 13 "Average Difference" CA 70 0.998 -0.244 0.975 18714 77 1 13 "Average Difference" CB 67 1.060 0.039 1.067 18714 78 1 13 "Average Difference" HN 67 0.435 -0.129 0.419 18714 79 1 14 "Average Difference" N 66 3.049 0.507 3.029 18714 80 1 14 "Average Difference" HA 67 0.227 0.068 0.218 18714 81 1 14 "Average Difference" C 68 0.748 -0.151 0.738 18714 82 1 14 "Average Difference" CA 70 1.012 -0.163 1.006 18714 83 1 14 "Average Difference" CB 67 0.962 -0.002 0.969 18714 84 1 14 "Average Difference" HN 67 0.426 -0.122 0.411 18714 85 1 15 "Average Difference" N 66 2.731 0.440 2.716 18714 86 1 15 "Average Difference" HA 67 0.252 0.006 0.254 18714 87 1 15 "Average Difference" C 68 0.831 -0.159 0.822 18714 88 1 15 "Average Difference" CA 70 0.806 -0.120 0.802 18714 89 1 15 "Average Difference" CB 67 0.919 -0.065 0.924 18714 90 1 15 "Average Difference" HN 67 0.434 -0.151 0.410 18714 91 1 16 "Average Difference" N 66 2.624 0.332 2.622 18714 92 1 16 "Average Difference" HA 67 0.250 0.016 0.251 18714 93 1 16 "Average Difference" C 68 0.775 -0.109 0.773 18714 94 1 16 "Average Difference" CA 70 0.844 -0.186 0.829 18714 95 1 16 "Average Difference" CB 67 0.909 -0.112 0.908 18714 96 1 16 "Average Difference" HN 67 0.451 -0.170 0.421 18714 97 1 17 "Average Difference" N 66 2.845 0.516 2.819 18714 98 1 17 "Average Difference" HA 67 0.227 0.037 0.225 18714 99 1 17 "Average Difference" C 68 0.859 -0.158 0.851 18714 100 1 17 "Average Difference" CA 70 0.867 -0.133 0.863 18714 101 1 17 "Average Difference" CB 67 1.073 -0.067 1.079 18714 102 1 17 "Average Difference" HN 67 0.479 -0.188 0.444 18714 103 1 18 "Average Difference" N 66 2.710 0.499 2.684 18714 104 1 18 "Average Difference" HA 67 0.206 0.026 0.206 18714 105 1 18 "Average Difference" C 68 0.828 -0.131 0.824 18714 106 1 18 "Average Difference" CA 70 0.839 -0.115 0.838 18714 107 1 18 "Average Difference" CB 67 0.979 -0.046 0.985 18714 108 1 18 "Average Difference" HN 67 0.391 -0.138 0.369 18714 109 1 19 "Average Difference" N 66 2.853 0.126 2.872 18714 110 1 19 "Average Difference" HA 67 0.221 0.029 0.221 18714 111 1 19 "Average Difference" C 68 0.741 -0.157 0.730 18714 112 1 19 "Average Difference" CA 70 1.009 -0.196 0.996 18714 113 1 19 "Average Difference" CB 67 1.010 -0.060 1.016 18714 114 1 19 "Average Difference" HN 67 0.498 -0.180 0.468 18714 115 1 20 "Average Difference" N 66 2.422 0.131 2.437 18714 116 1 20 "Average Difference" HA 67 0.226 0.067 0.218 18714 117 1 20 "Average Difference" C 68 0.771 -0.090 0.771 18714 118 1 20 "Average Difference" CA 70 0.888 -0.163 0.879 18714 119 1 20 "Average Difference" CB 67 0.968 0.026 0.975 18714 120 1 20 "Average Difference" HN 67 0.451 -0.157 0.426 18714 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 18714 _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 4 4 PRO HA H 4 4.384 4.384 4.526 -0.142 18714 2 1 . 1 1 4 4 PRO C C 4 176.388 176.388 176.073 0.315 18714 3 1 . 1 1 4 4 PRO CA C 4 63.097 63.097 62.837 0.261 18714 4 1 . 1 1 4 4 PRO CB C 4 32.056 32.056 31.665 0.391 18714 5 1 . 1 1 5 5 ASP N N 5 120.482 120.482 122.001 -1.519 18714 6 1 . 1 1 5 5 ASP HA H 5 4.544 4.544 4.567 -0.023 18714 7 1 . 1 1 5 5 ASP C C 5 176.336 176.336 175.901 0.435 18714 8 1 . 1 1 5 5 ASP CA C 5 54.322 54.322 54.764 -0.442 18714 9 1 . 1 1 5 5 ASP CB C 5 41.006 41.006 40.914 0.092 18714 10 1 . 1 1 5 5 ASP H H 5 8.415 8.415 8.317 0.098 18714 11 1 . 1 1 6 6 SER N N 6 115.481 115.481 116.402 -0.921 18714 12 1 . 1 1 6 6 SER HA H 6 4.326 4.326 4.399 -0.073 18714 13 1 . 1 1 6 6 SER C C 6 174.494 174.494 174.029 0.465 18714 14 1 . 1 1 6 6 SER CA C 6 58.559 58.559 58.406 0.153 18714 15 1 . 1 1 6 6 SER CB C 6 63.461 63.461 63.470 -0.009 18714 16 1 . 1 1 6 6 SER H H 6 8.146 8.146 8.220 -0.074 18714 17 1 . 1 1 7 7 PHE N N 7 121.475 121.475 123.596 -2.121 18714 18 1 . 1 1 7 7 PHE HA H 7 4.559 4.559 4.543 0.016 18714 19 1 . 1 1 7 7 PHE C C 7 176.285 176.285 175.837 0.448 18714 20 1 . 1 1 7 7 PHE CA C 7 58.227 58.227 57.854 0.373 18714 21 1 . 1 1 7 7 PHE CB C 7 39.213 39.213 39.321 -0.109 18714 22 1 . 1 1 7 7 PHE H H 7 8.236 8.236 8.215 0.021 18714 23 1 . 1 1 8 8 GLY N N 8 109.715 109.715 111.917 -2.202 18714 24 1 . 1 1 8 8 GLY C C 8 174.124 174.124 173.902 0.222 18714 25 1 . 1 1 8 8 GLY CA C 8 45.366 45.366 44.694 0.672 18714 26 1 . 1 1 8 8 GLY H H 8 8.256 8.256 8.117 0.139 18714 27 1 . 1 1 9 9 ILE N N 9 120.361 120.361 122.647 -2.286 18714 28 1 . 1 1 9 9 ILE HA H 9 4.112 4.112 4.079 0.033 18714 29 1 . 1 1 9 9 ILE C C 9 176.429 176.429 176.085 0.344 18714 30 1 . 1 1 9 9 ILE CA C 9 61.453 61.453 61.259 0.194 18714 31 1 . 1 1 9 9 ILE CB C 9 38.386 38.386 37.068 1.318 18714 32 1 . 1 1 9 9 ILE H H 9 7.975 7.975 8.067 -0.092 18714 33 1 . 1 1 10 10 ARG N N 10 124.698 124.698 126.599 -1.901 18714 34 1 . 1 1 10 10 ARG HA H 10 4.326 4.326 4.260 0.066 18714 35 1 . 1 1 10 10 ARG C C 10 175.925 175.925 175.877 0.048 18714 36 1 . 1 1 10 10 ARG CA C 10 55.824 55.824 56.303 -0.479 18714 37 1 . 1 1 10 10 ARG CB C 10 30.482 30.482 29.925 0.557 18714 38 1 . 1 1 10 10 ARG H H 10 8.407 8.407 8.480 -0.073 18714 39 1 . 1 1 11 11 ALA N N 11 124.966 124.966 123.056 1.910 18714 40 1 . 1 1 11 11 ALA HA H 11 4.273 4.273 4.294 -0.021 18714 41 1 . 1 1 11 11 ALA C C 11 177.715 177.715 176.712 1.004 18714 42 1 . 1 1 11 11 ALA CA C 11 52.525 52.525 52.179 0.346 18714 43 1 . 1 1 11 11 ALA CB C 11 19.094 19.094 18.837 0.257 18714 44 1 . 1 1 11 11 ALA H H 11 8.257 8.257 7.994 0.263 18714 45 1 . 1 1 12 12 LYS N N 12 120.850 120.850 122.403 -1.553 18714 46 1 . 1 1 12 12 LYS HA H 12 4.325 4.325 4.317 0.008 18714 47 1 . 1 1 12 12 LYS C C 12 176.655 176.655 175.980 0.675 18714 48 1 . 1 1 12 12 LYS CA C 12 56.114 56.114 56.105 0.009 18714 49 1 . 1 1 12 12 LYS CB C 12 32.985 32.985 33.048 -0.063 18714 50 1 . 1 1 12 12 LYS H H 12 8.217 8.217 8.182 0.035 18714 51 1 . 1 1 13 13 LYS N N 13 122.258 122.258 123.856 -1.598 18714 52 1 . 1 1 13 13 LYS HA H 13 4.608 4.608 4.419 0.189 18714 53 1 . 1 1 13 13 LYS C C 13 177.005 177.005 176.844 0.161 18714 54 1 . 1 1 13 13 LYS CA C 13 55.875 55.875 56.035 -0.160 18714 55 1 . 1 1 13 13 LYS CB C 13 33.731 33.731 32.352 1.379 18714 56 1 . 1 1 13 13 LYS H H 13 8.317 8.317 8.265 0.052 18714 57 1 . 1 1 14 14 THR N N 14 113.409 113.409 116.756 -3.347 18714 58 1 . 1 1 14 14 THR HA H 14 4.387 4.387 4.422 -0.035 18714 59 1 . 1 1 14 14 THR C C 14 175.215 175.215 175.705 -0.490 18714 60 1 . 1 1 14 14 THR CA C 14 61.057 61.057 61.494 -0.437 18714 61 1 . 1 1 14 14 THR CB C 14 70.754 70.754 70.624 0.130 18714 62 1 . 1 1 14 14 THR H H 14 8.747 8.747 8.486 0.261 18714 63 1 . 1 1 15 15 LYS N N 15 120.711 120.711 122.089 -1.378 18714 64 1 . 1 1 15 15 LYS HA H 15 3.963 3.963 4.000 -0.037 18714 65 1 . 1 1 15 15 LYS C C 15 178.898 178.898 178.786 0.112 18714 66 1 . 1 1 15 15 LYS CA C 15 59.587 59.587 59.739 -0.152 18714 67 1 . 1 1 15 15 LYS CB C 15 32.016 32.016 32.073 -0.057 18714 68 1 . 1 1 15 15 LYS H H 15 8.804 8.804 8.769 0.035 18714 69 1 . 1 1 16 16 GLU N N 16 119.447 119.447 118.215 1.232 18714 70 1 . 1 1 16 16 GLU HA H 16 4.043 4.043 4.032 0.011 18714 71 1 . 1 1 16 16 GLU C C 16 179.536 179.536 178.848 0.688 18714 72 1 . 1 1 16 16 GLU CA C 16 60.111 60.111 59.342 0.769 18714 73 1 . 1 1 16 16 GLU CB C 16 28.697 28.697 29.028 -0.331 18714 74 1 . 1 1 16 16 GLU H H 16 8.715 8.715 8.454 0.261 18714 75 1 . 1 1 17 17 GLN N N 17 119.610 119.610 119.337 0.273 18714 76 1 . 1 1 17 17 GLN HA H 17 3.861 3.861 3.947 -0.086 18714 77 1 . 1 1 17 17 GLN C C 17 177.725 177.725 178.350 -0.625 18714 78 1 . 1 1 17 17 GLN CA C 17 58.885 58.885 58.684 0.201 18714 79 1 . 1 1 17 17 GLN CB C 17 28.701 28.701 28.824 -0.123 18714 80 1 . 1 1 17 17 GLN H H 17 7.811 7.811 7.557 0.254 18714 81 1 . 1 1 18 18 LEU N N 18 116.893 116.893 119.801 -2.908 18714 82 1 . 1 1 18 18 LEU HA H 18 3.584 3.584 3.604 -0.020 18714 83 1 . 1 1 18 18 LEU C C 18 178.250 178.250 178.290 -0.040 18714 84 1 . 1 1 18 18 LEU CA C 18 57.228 57.228 57.210 0.018 18714 85 1 . 1 1 18 18 LEU CB C 18 41.663 41.663 41.785 -0.122 18714 86 1 . 1 1 18 18 LEU H H 18 8.190 8.190 8.159 0.031 18714 87 1 . 1 1 19 19 ALA N N 19 120.561 120.561 121.262 -0.701 18714 88 1 . 1 1 19 19 ALA HA H 19 3.987 3.987 3.933 0.054 18714 89 1 . 1 1 19 19 ALA C C 19 180.071 180.071 179.595 0.476 18714 90 1 . 1 1 19 19 ALA CA C 19 55.131 55.131 55.429 -0.298 18714 91 1 . 1 1 19 19 ALA CB C 19 17.921 17.921 17.886 0.035 18714 92 1 . 1 1 19 19 ALA H H 19 8.013 8.013 7.789 0.224 18714 93 1 . 1 1 20 20 GLU N N 20 115.648 115.648 118.368 -2.720 18714 94 1 . 1 1 20 20 GLU HA H 20 4.037 4.037 4.036 0.002 18714 95 1 . 1 1 20 20 GLU C C 20 179.526 179.526 179.126 0.400 18714 96 1 . 1 1 20 20 GLU CA C 20 57.944 57.944 58.850 -0.906 18714 97 1 . 1 1 20 20 GLU CB C 20 28.860 28.860 29.115 -0.255 18714 98 1 . 1 1 20 20 GLU H H 20 7.165 7.165 7.728 -0.563 18714 99 1 . 1 1 21 21 LEU N N 21 120.140 120.140 119.713 0.427 18714 100 1 . 1 1 21 21 LEU HA H 21 3.558 3.558 3.818 -0.260 18714 101 1 . 1 1 21 21 LEU C C 21 177.344 177.344 178.796 -1.452 18714 102 1 . 1 1 21 21 LEU CA C 21 57.911 57.911 57.239 0.672 18714 103 1 . 1 1 21 21 LEU CB C 21 37.832 37.832 40.479 -2.647 18714 104 1 . 1 1 21 21 LEU H H 21 7.428 7.428 7.483 -0.055 18714 105 1 . 1 1 22 22 LYS N N 22 117.352 117.352 119.756 -2.404 18714 106 1 . 1 1 22 22 LYS HA H 22 3.976 3.976 4.275 -0.299 18714 107 1 . 1 1 22 22 LYS C C 22 178.805 178.805 179.242 -0.437 18714 108 1 . 1 1 22 22 LYS CA C 22 60.282 60.282 59.507 0.775 18714 109 1 . 1 1 22 22 LYS CB C 22 32.174 32.174 32.259 -0.085 18714 110 1 . 1 1 22 22 LYS H H 22 8.021 8.021 7.580 0.441 18714 111 1 . 1 1 23 23 VAL N N 23 117.470 117.470 119.452 -1.982 18714 112 1 . 1 1 23 23 VAL HA H 23 3.697 3.697 3.768 -0.071 18714 113 1 . 1 1 23 23 VAL C C 23 178.291 178.291 178.183 0.108 18714 114 1 . 1 1 23 23 VAL CA C 23 66.421 66.421 66.409 0.012 18714 115 1 . 1 1 23 23 VAL CB C 23 31.710 31.710 30.954 0.756 18714 116 1 . 1 1 23 23 VAL H H 23 7.618 7.618 7.889 -0.271 18714 117 1 . 1 1 24 24 SER N N 24 113.371 113.371 115.407 -2.036 18714 118 1 . 1 1 24 24 SER HA H 24 4.247 4.247 4.260 -0.013 18714 119 1 . 1 1 24 24 SER C C 24 177.015 177.015 176.659 0.356 18714 120 1 . 1 1 24 24 SER CA C 24 61.550 61.550 61.633 -0.083 18714 121 1 . 1 1 24 24 SER CB C 24 62.987 62.987 63.206 -0.219 18714 122 1 . 1 1 24 24 SER H H 24 7.340 7.340 7.837 -0.497 18714 123 1 . 1 1 25 25 TYR N N 25 120.532 120.532 123.249 -2.717 18714 124 1 . 1 1 25 25 TYR HA H 25 4.252 4.252 4.803 -0.551 18714 125 1 . 1 1 25 25 TYR C C 25 176.470 176.470 177.310 -0.840 18714 126 1 . 1 1 25 25 TYR CA C 25 61.795 61.795 61.419 0.376 18714 127 1 . 1 1 25 25 TYR CB C 25 38.611 38.611 38.829 -0.218 18714 128 1 . 1 1 25 25 TYR H H 25 8.888 8.888 8.038 0.850 18714 129 1 . 1 1 26 26 LEU N N 26 115.079 115.079 117.464 -2.385 18714 130 1 . 1 1 26 26 LEU HA H 26 4.035 4.035 3.998 0.037 18714 131 1 . 1 1 26 26 LEU C C 26 179.021 179.021 178.616 0.405 18714 132 1 . 1 1 26 26 LEU CA C 26 56.850 56.850 56.945 -0.095 18714 133 1 . 1 1 26 26 LEU CB C 26 41.983 41.983 41.952 0.031 18714 134 1 . 1 1 26 26 LEU H H 26 7.953 7.953 8.045 -0.092 18714 135 1 . 1 1 27 27 LYS N N 27 119.058 119.058 117.558 1.500 18714 136 1 . 1 1 27 27 LYS HA H 27 4.169 4.169 4.203 -0.034 18714 137 1 . 1 1 27 27 LYS C C 27 177.375 177.375 176.674 0.701 18714 138 1 . 1 1 27 27 LYS CA C 27 58.501 58.501 57.807 0.694 18714 139 1 . 1 1 27 27 LYS CB C 27 32.633 32.633 33.387 -0.754 18714 140 1 . 1 1 27 27 LYS H H 27 7.503 7.503 7.783 -0.280 18714 141 1 . 1 1 28 28 ASN N N 28 116.296 116.296 116.125 0.171 18714 142 1 . 1 1 28 28 ASN HA H 28 4.520 4.520 4.841 -0.321 18714 143 1 . 1 1 28 28 ASN C C 28 174.134 174.134 174.648 -0.514 18714 144 1 . 1 1 28 28 ASN CA C 28 53.705 53.705 52.656 1.049 18714 145 1 . 1 1 28 28 ASN CB C 28 39.366 39.366 40.011 -0.645 18714 146 1 . 1 1 28 28 ASN H H 28 8.163 8.163 8.018 0.145 18714 147 1 . 1 1 29 29 GLN N N 29 123.819 123.819 121.061 2.758 18714 148 1 . 1 1 29 29 GLN HA H 29 3.850 3.850 3.896 -0.046 18714 149 1 . 1 1 29 29 GLN C C 29 173.785 173.785 174.584 -0.799 18714 150 1 . 1 1 29 29 GLN CA C 29 57.602 57.602 57.436 0.166 18714 151 1 . 1 1 29 29 GLN CB C 29 28.230 28.230 28.778 -0.548 18714 152 1 . 1 1 29 29 GLN H H 29 8.560 8.560 8.537 0.023 18714 153 1 . 1 1 30 30 PHE N N 30 116.997 116.997 117.559 -0.562 18714 154 1 . 1 1 30 30 PHE HA H 30 4.742 4.742 4.710 0.032 18714 155 1 . 1 1 30 30 PHE CA C 30 53.470 53.470 54.620 -1.150 18714 156 1 . 1 1 30 30 PHE CB C 30 39.136 39.136 39.369 -0.233 18714 157 1 . 1 1 30 30 PHE H H 30 8.014 8.014 7.672 0.342 18714 158 1 . 1 1 31 31 PRO HA H 31 3.979 3.979 4.469 -0.490 18714 159 1 . 1 1 31 31 PRO C C 31 177.285 177.285 176.164 1.121 18714 160 1 . 1 1 31 31 PRO CA C 31 62.264 62.264 62.156 0.108 18714 161 1 . 1 1 31 31 PRO CB C 31 30.777 30.777 32.530 -1.753 18714 162 1 . 1 1 32 32 HIS N N 32 120.779 120.779 120.050 0.729 18714 163 1 . 1 1 32 32 HIS HA H 32 4.575 4.575 4.505 0.070 18714 164 1 . 1 1 32 32 HIS C C 32 176.601 176.601 176.314 0.287 18714 165 1 . 1 1 32 32 HIS CA C 32 55.416 55.416 57.238 -1.822 18714 166 1 . 1 1 32 32 HIS CB C 32 31.396 31.396 31.021 0.375 18714 167 1 . 1 1 32 32 HIS H H 32 8.401 8.401 8.506 -0.105 18714 168 1 . 1 1 33 33 ASP N N 33 124.390 124.390 120.531 3.859 18714 169 1 . 1 1 33 33 ASP HA H 33 4.276 4.276 4.451 -0.175 18714 170 1 . 1 1 33 33 ASP C C 33 178.064 178.064 177.816 0.248 18714 171 1 . 1 1 33 33 ASP CA C 33 58.486 58.486 57.076 1.410 18714 172 1 . 1 1 33 33 ASP CB C 33 40.451 40.451 40.913 -0.462 18714 173 1 . 1 1 33 33 ASP H H 33 8.691 8.691 8.582 0.108 18714 174 1 . 1 1 34 34 SER N N 34 114.256 114.256 115.937 -1.681 18714 175 1 . 1 1 34 34 SER HA H 34 4.109 4.109 4.165 -0.057 18714 176 1 . 1 1 34 34 SER C C 34 176.645 176.645 176.348 0.297 18714 177 1 . 1 1 34 34 SER CA C 34 60.282 60.282 61.562 -1.280 18714 178 1 . 1 1 34 34 SER CB C 34 61.931 61.931 62.923 -0.992 18714 179 1 . 1 1 34 34 SER H H 34 9.494 9.494 8.424 1.070 18714 180 1 . 1 1 35 35 GLU N N 35 126.075 126.075 122.408 3.667 18714 181 1 . 1 1 35 35 GLU HA H 35 4.903 4.903 4.135 0.768 18714 182 1 . 1 1 35 35 GLU C C 35 177.715 177.715 178.654 -0.939 18714 183 1 . 1 1 35 35 GLU CA C 35 56.884 56.884 58.995 -2.111 18714 184 1 . 1 1 35 35 GLU CB C 35 28.521 28.521 29.317 -0.797 18714 185 1 . 1 1 35 35 GLU H H 35 7.493 7.493 8.248 -0.755 18714 186 1 . 1 1 36 36 ILE N N 36 120.906 120.906 119.828 1.078 18714 187 1 . 1 1 36 36 ILE HA H 36 3.603 3.603 3.790 -0.187 18714 188 1 . 1 1 36 36 ILE C C 36 177.725 177.725 178.174 -0.449 18714 189 1 . 1 1 36 36 ILE CA C 36 64.945 64.945 64.945 -0.000 18714 190 1 . 1 1 36 36 ILE CB C 36 35.873 35.873 37.848 -1.975 18714 191 1 . 1 1 36 36 ILE H H 36 7.697 7.697 7.647 0.050 18714 192 1 . 1 1 37 37 ILE N N 37 119.451 119.451 119.984 -0.533 18714 193 1 . 1 1 37 37 ILE HA H 37 3.959 3.959 3.678 0.281 18714 194 1 . 1 1 37 37 ILE C C 37 178.085 178.085 178.016 0.069 18714 195 1 . 1 1 37 37 ILE CA C 37 64.734 64.734 64.811 -0.077 18714 196 1 . 1 1 37 37 ILE CB C 37 37.781 37.781 37.203 0.578 18714 197 1 . 1 1 37 37 ILE H H 37 8.229 8.229 7.929 0.300 18714 198 1 . 1 1 38 38 ARG N N 38 122.344 122.344 120.414 1.930 18714 199 1 . 1 1 38 38 ARG HA H 38 3.968 3.968 4.032 -0.064 18714 200 1 . 1 1 38 38 ARG C C 38 179.165 179.165 178.752 0.413 18714 201 1 . 1 1 38 38 ARG CA C 38 59.921 59.921 59.407 0.513 18714 202 1 . 1 1 38 38 ARG CB C 38 30.663 30.663 29.998 0.665 18714 203 1 . 1 1 38 38 ARG H H 38 7.664 7.664 7.631 0.033 18714 204 1 . 1 1 39 39 LEU N N 39 117.479 117.479 119.371 -1.892 18714 205 1 . 1 1 39 39 LEU HA H 39 4.026 4.026 3.955 0.072 18714 206 1 . 1 1 39 39 LEU C C 39 181.316 181.316 179.115 2.201 18714 207 1 . 1 1 39 39 LEU CA C 39 57.580 57.580 57.755 -0.175 18714 208 1 . 1 1 39 39 LEU CB C 39 43.384 43.384 41.792 1.592 18714 209 1 . 1 1 39 39 LEU H H 39 8.629 8.629 7.914 0.715 18714 210 1 . 1 1 40 40 MET N N 40 126.468 126.468 117.704 8.764 18714 211 1 . 1 1 40 40 MET HA H 40 3.957 3.957 4.176 -0.219 18714 212 1 . 1 1 40 40 MET C C 40 178.466 178.466 178.640 -0.174 18714 213 1 . 1 1 40 40 MET CA C 40 60.109 60.109 59.121 0.988 18714 214 1 . 1 1 40 40 MET CB C 40 34.065 34.065 32.537 1.528 18714 215 1 . 1 1 40 40 MET H H 40 9.112 9.112 8.109 1.003 18714 216 1 . 1 1 41 41 LYS N N 41 119.282 119.282 118.447 0.835 18714 217 1 . 1 1 41 41 LYS HA H 41 4.040 4.040 4.109 -0.069 18714 218 1 . 1 1 41 41 LYS C C 41 178.805 178.805 178.411 0.394 18714 219 1 . 1 1 41 41 LYS CA C 41 59.215 59.215 58.607 0.608 18714 220 1 . 1 1 41 41 LYS CB C 41 32.127 32.127 32.284 -0.157 18714 221 1 . 1 1 41 41 LYS H H 41 7.721 7.721 7.586 0.135 18714 222 1 . 1 1 42 42 ILE N N 42 114.582 114.582 118.952 -4.370 18714 223 1 . 1 1 42 42 ILE HA H 42 4.150 4.150 4.040 0.110 18714 224 1 . 1 1 42 42 ILE C C 42 177.365 177.365 178.038 -0.673 18714 225 1 . 1 1 42 42 ILE CA C 42 62.717 62.717 63.093 -0.376 18714 226 1 . 1 1 42 42 ILE CB C 42 38.830 38.830 37.770 1.060 18714 227 1 . 1 1 42 42 ILE H H 42 7.804 7.804 7.769 0.035 18714 228 1 . 1 1 43 43 THR N N 43 107.511 107.511 111.516 -4.005 18714 229 1 . 1 1 43 43 THR HA H 43 4.536 4.536 4.202 0.334 18714 230 1 . 1 1 43 43 THR C C 43 176.120 176.120 176.008 0.112 18714 231 1 . 1 1 43 43 THR CA C 43 63.136 63.136 63.825 -0.689 18714 232 1 . 1 1 43 43 THR CB C 43 72.060 72.060 69.883 2.177 18714 233 1 . 1 1 43 43 THR H H 43 8.313 8.313 8.198 0.115 18714 234 1 . 1 1 44 44 GLY N N 44 111.235 111.235 110.009 1.226 18714 235 1 . 1 1 44 44 GLY C C 44 174.134 174.134 174.510 -0.376 18714 236 1 . 1 1 44 44 GLY CA C 44 45.805 45.805 44.973 0.832 18714 237 1 . 1 1 44 44 GLY H H 44 8.055 8.055 7.763 0.292 18714 238 1 . 1 1 45 45 LEU N N 45 120.586 120.586 120.580 0.006 18714 239 1 . 1 1 45 45 LEU HA H 45 4.505 4.505 4.555 -0.050 18714 240 1 . 1 1 45 45 LEU C C 45 176.634 176.634 176.874 -0.240 18714 241 1 . 1 1 45 45 LEU CA C 45 53.757 53.757 53.947 -0.189 18714 242 1 . 1 1 45 45 LEU CB C 45 43.306 43.306 43.065 0.241 18714 243 1 . 1 1 45 45 LEU H H 45 7.708 7.708 7.623 0.085 18714 244 1 . 1 1 46 46 THR N N 46 109.308 109.308 108.864 0.444 18714 245 1 . 1 1 46 46 THR HA H 46 4.325 4.325 4.530 -0.205 18714 246 1 . 1 1 46 46 THR C C 46 175.215 175.215 175.454 -0.239 18714 247 1 . 1 1 46 46 THR CA C 46 60.914 60.914 60.606 0.308 18714 248 1 . 1 1 46 46 THR CB C 46 71.237 71.237 70.784 0.453 18714 249 1 . 1 1 46 46 THR H H 46 8.570 8.570 8.182 0.388 18714 250 1 . 1 1 47 47 LYS N N 47 121.342 121.342 123.108 -1.766 18714 251 1 . 1 1 47 47 LYS HA H 47 3.685 3.685 3.987 -0.302 18714 252 1 . 1 1 47 47 LYS C C 47 178.805 178.805 178.598 0.207 18714 253 1 . 1 1 47 47 LYS CA C 47 60.792 60.792 60.045 0.747 18714 254 1 . 1 1 47 47 LYS CB C 47 32.334 32.334 32.115 0.219 18714 255 1 . 1 1 47 47 LYS H H 47 8.797 8.797 8.725 0.072 18714 256 1 . 1 1 48 48 GLY N N 48 104.143 104.143 106.623 -2.480 18714 257 1 . 1 1 48 48 GLY C C 48 177.149 177.149 176.404 0.745 18714 258 1 . 1 1 48 48 GLY CA C 48 46.889 46.889 46.860 0.029 18714 259 1 . 1 1 48 48 GLY H H 48 8.715 8.715 8.394 0.321 18714 260 1 . 1 1 49 49 GLU N N 49 121.943 121.943 122.200 -0.257 18714 261 1 . 1 1 49 49 GLU HA H 49 4.090 4.090 4.081 0.009 18714 262 1 . 1 1 49 49 GLU C C 49 179.886 179.886 179.215 0.671 18714 263 1 . 1 1 49 49 GLU CA C 49 59.183 59.183 59.046 0.137 18714 264 1 . 1 1 49 49 GLU CB C 49 30.690 30.690 29.455 1.235 18714 265 1 . 1 1 49 49 GLU H H 49 7.851 7.851 7.676 0.175 18714 266 1 . 1 1 50 50 ILE N N 50 121.748 121.748 120.374 1.374 18714 267 1 . 1 1 50 50 ILE HA H 50 3.760 3.760 3.733 0.027 18714 268 1 . 1 1 50 50 ILE C C 50 177.735 177.735 178.077 -0.341 18714 269 1 . 1 1 50 50 ILE CA C 50 66.118 66.118 65.301 0.817 18714 270 1 . 1 1 50 50 ILE CB C 50 38.112 38.112 37.830 0.282 18714 271 1 . 1 1 50 50 ILE H H 50 8.224 8.224 7.883 0.342 18714 272 1 . 1 1 51 51 LYS N N 51 119.119 119.119 119.549 -0.430 18714 273 1 . 1 1 51 51 LYS HA H 51 4.061 4.061 4.203 -0.142 18714 274 1 . 1 1 51 51 LYS C C 51 179.526 179.526 179.235 0.291 18714 275 1 . 1 1 51 51 LYS CA C 51 61.120 61.120 59.557 1.563 18714 276 1 . 1 1 51 51 LYS CB C 51 31.896 31.896 32.085 -0.189 18714 277 1 . 1 1 51 51 LYS H H 51 8.842 8.842 8.045 0.797 18714 278 1 . 1 1 52 52 LYS N N 52 120.252 120.252 119.864 0.388 18714 279 1 . 1 1 52 52 LYS HA H 52 4.194 4.194 4.112 0.082 18714 280 1 . 1 1 52 52 LYS C C 52 176.830 176.830 178.640 -1.810 18714 281 1 . 1 1 52 52 LYS CA C 52 58.750 58.750 59.288 -0.538 18714 282 1 . 1 1 52 52 LYS CB C 52 32.387 32.387 32.215 0.173 18714 283 1 . 1 1 52 52 LYS H H 52 8.208 8.208 7.876 0.332 18714 284 1 . 1 1 53 53 TRP N N 53 120.333 120.333 122.187 -1.854 18714 285 1 . 1 1 53 53 TRP HA H 53 4.189 4.189 4.264 -0.075 18714 286 1 . 1 1 53 53 TRP C C 53 180.266 180.266 178.137 2.129 18714 287 1 . 1 1 53 53 TRP CA C 53 62.719 62.719 61.378 1.341 18714 288 1 . 1 1 53 53 TRP CB C 53 28.154 28.154 29.331 -1.177 18714 289 1 . 1 1 53 53 TRP H H 53 8.132 8.132 7.857 0.275 18714 290 1 . 1 1 54 54 PHE N N 54 120.742 120.742 116.637 4.105 18714 291 1 . 1 1 54 54 PHE HA H 54 3.714 3.714 3.936 -0.222 18714 292 1 . 1 1 54 54 PHE C C 54 177.488 177.488 178.092 -0.604 18714 293 1 . 1 1 54 54 PHE CA C 54 63.893 63.893 61.987 1.906 18714 294 1 . 1 1 54 54 PHE CB C 54 39.402 39.402 38.581 0.821 18714 295 1 . 1 1 54 54 PHE H H 54 8.903 8.903 8.269 0.634 18714 296 1 . 1 1 55 55 SER N N 55 113.136 113.136 115.293 -2.157 18714 297 1 . 1 1 55 55 SER HA H 55 4.063 4.063 4.171 -0.108 18714 298 1 . 1 1 55 55 SER C C 55 177.571 177.571 176.548 1.023 18714 299 1 . 1 1 55 55 SER CA C 55 62.419 62.419 62.004 0.415 18714 300 1 . 1 1 55 55 SER CB C 55 62.673 62.673 62.925 -0.252 18714 301 1 . 1 1 55 55 SER H H 55 8.136 8.136 7.932 0.204 18714 302 1 . 1 1 56 56 ASP N N 56 122.871 122.871 121.654 1.217 18714 303 1 . 1 1 56 56 ASP HA H 56 4.298 4.298 4.457 -0.159 18714 304 1 . 1 1 56 56 ASP C C 56 178.085 178.085 178.332 -0.247 18714 305 1 . 1 1 56 56 ASP CA C 56 56.963 56.963 57.219 -0.256 18714 306 1 . 1 1 56 56 ASP CB C 56 39.721 39.721 40.639 -0.918 18714 307 1 . 1 1 56 56 ASP H H 56 9.091 9.091 7.877 1.214 18714 308 1 . 1 1 57 57 THR N N 57 118.957 118.957 116.373 2.584 18714 309 1 . 1 1 57 57 THR HA H 57 3.335 3.335 3.688 -0.353 18714 310 1 . 1 1 57 57 THR C C 57 175.925 175.925 176.054 -0.129 18714 311 1 . 1 1 57 57 THR CA C 57 67.064 67.064 65.831 1.233 18714 312 1 . 1 1 57 57 THR CB C 57 67.387 67.387 67.691 -0.304 18714 313 1 . 1 1 57 57 THR H H 57 7.926 7.926 7.799 0.127 18714 314 1 . 1 1 58 58 ARG N N 58 120.980 120.980 121.717 -0.737 18714 315 1 . 1 1 58 58 ARG HA H 58 4.201 4.201 4.198 0.003 18714 316 1 . 1 1 58 58 ARG C C 58 179.536 179.536 178.395 1.141 18714 317 1 . 1 1 58 58 ARG CA C 58 59.976 59.976 58.924 1.052 18714 318 1 . 1 1 58 58 ARG CB C 58 31.394 31.394 29.916 1.478 18714 319 1 . 1 1 58 58 ARG H H 58 8.139 8.139 7.636 0.503 18714 320 1 . 1 1 59 59 TYR N N 59 119.449 119.449 120.145 -0.696 18714 321 1 . 1 1 59 59 TYR HA H 59 4.144 4.144 4.194 -0.050 18714 322 1 . 1 1 59 59 TYR C C 59 178.075 178.075 177.205 0.870 18714 323 1 . 1 1 59 59 TYR CA C 59 61.320 61.320 61.140 0.180 18714 324 1 . 1 1 59 59 TYR CB C 59 38.002 38.002 38.460 -0.458 18714 325 1 . 1 1 59 59 TYR H H 59 8.004 8.004 7.796 0.208 18714 326 1 . 1 1 60 60 ASN N N 60 118.169 118.169 116.515 1.654 18714 327 1 . 1 1 60 60 ASN HA H 60 4.354 4.354 4.280 0.074 18714 328 1 . 1 1 60 60 ASN C C 60 177.005 177.005 177.204 -0.199 18714 329 1 . 1 1 60 60 ASN CA C 60 55.160 55.160 55.565 -0.405 18714 330 1 . 1 1 60 60 ASN CB C 60 38.292 38.292 38.283 0.009 18714 331 1 . 1 1 60 60 ASN H H 60 8.354 8.354 7.899 0.455 18714 332 1 . 1 1 61 61 GLN N N 61 118.671 118.671 117.769 0.902 18714 333 1 . 1 1 61 61 GLN HA H 61 4.141 4.141 4.136 0.005 18714 334 1 . 1 1 61 61 GLN C C 61 177.046 177.046 177.237 -0.191 18714 335 1 . 1 1 61 61 GLN CA C 61 57.217 57.217 57.530 -0.313 18714 336 1 . 1 1 61 61 GLN CB C 61 28.466 28.466 28.836 -0.370 18714 337 1 . 1 1 61 61 GLN H H 61 7.971 7.971 7.756 0.215 18714 338 1 . 1 1 62 62 ARG N N 62 119.140 119.140 116.564 2.576 18714 339 1 . 1 1 62 62 ARG HA H 62 4.189 4.189 4.303 -0.114 18714 340 1 . 1 1 62 62 ARG C C 62 176.655 176.655 176.559 0.096 18714 341 1 . 1 1 62 62 ARG CA C 62 57.462 57.462 56.460 1.002 18714 342 1 . 1 1 62 62 ARG CB C 62 29.896 29.896 30.484 -0.588 18714 343 1 . 1 1 62 62 ARG H H 62 7.690 7.690 7.515 0.175 18714 344 1 . 1 1 63 63 ASN N N 63 117.472 117.472 119.325 -1.853 18714 345 1 . 1 1 63 63 ASN HA H 63 4.734 4.734 4.520 0.214 18714 346 1 . 1 1 63 63 ASN C C 63 175.194 175.194 174.585 0.609 18714 347 1 . 1 1 63 63 ASN CA C 63 53.141 53.141 52.962 0.179 18714 348 1 . 1 1 63 63 ASN CB C 63 38.875 38.875 38.762 0.113 18714 349 1 . 1 1 63 63 ASN H H 63 8.003 8.003 7.691 0.312 18714 350 1 . 1 1 64 64 SER N N 64 115.768 115.768 117.999 -2.231 18714 351 1 . 1 1 64 64 SER HA H 64 4.402 4.402 4.400 0.002 18714 352 1 . 1 1 64 64 SER C C 64 174.721 174.721 174.375 0.346 18714 353 1 . 1 1 64 64 SER CA C 64 58.758 58.758 58.930 -0.172 18714 354 1 . 1 1 64 64 SER CB C 64 63.620 63.620 63.398 0.222 18714 355 1 . 1 1 64 64 SER H H 64 7.942 7.942 8.273 -0.331 18714 356 1 . 1 1 65 65 LYS N N 65 122.579 122.579 124.137 -1.558 18714 357 1 . 1 1 65 65 LYS HA H 65 4.310 4.310 4.297 0.013 18714 358 1 . 1 1 65 65 LYS C C 65 176.665 176.665 176.102 0.563 18714 359 1 . 1 1 65 65 LYS CA C 65 56.366 56.366 56.385 -0.019 18714 360 1 . 1 1 65 65 LYS CB C 65 33.054 33.054 32.652 0.402 18714 361 1 . 1 1 65 65 LYS H H 65 8.319 8.319 8.119 0.200 18714 362 1 . 1 1 66 66 SER N N 66 115.560 115.560 117.423 -1.863 18714 363 1 . 1 1 66 66 SER HA H 66 4.425 4.425 4.385 0.040 18714 364 1 . 1 1 66 66 SER CA C 66 58.577 58.577 58.712 -0.136 18714 365 1 . 1 1 66 66 SER CB C 66 63.670 63.670 63.208 0.462 18714 366 1 . 1 1 66 66 SER H H 66 8.184 8.184 8.356 -0.172 18714 367 1 . 1 1 67 67 ASN HA H 67 4.703 4.703 4.660 0.043 18714 368 1 . 1 1 67 67 ASN C C 67 175.196 175.196 174.961 0.235 18714 369 1 . 1 1 67 67 ASN CA C 67 53.417 53.417 53.643 -0.226 18714 370 1 . 1 1 67 67 ASN CB C 67 38.593 38.593 38.497 0.096 18714 371 1 . 1 1 68 68 GLN N N 68 120.106 120.106 121.117 -1.011 18714 372 1 . 1 1 68 68 GLN HA H 68 4.303 4.303 4.368 -0.065 18714 373 1 . 1 1 68 68 GLN C C 68 175.708 175.708 175.507 0.201 18714 374 1 . 1 1 68 68 GLN CA C 68 56.172 56.172 55.931 0.241 18714 375 1 . 1 1 68 68 GLN CB C 68 29.172 29.172 29.405 -0.233 18714 376 1 . 1 1 68 68 GLN H H 68 8.283 8.283 8.438 -0.155 18714 377 1 . 1 1 69 69 CYS N N 69 119.599 119.599 120.794 -1.195 18714 378 1 . 1 1 69 69 CYS HA H 69 4.404 4.404 4.397 0.007 18714 379 1 . 1 1 69 69 CYS C C 69 174.412 174.412 174.689 -0.277 18714 380 1 . 1 1 69 69 CYS CA C 69 58.693 58.693 58.913 -0.220 18714 381 1 . 1 1 69 69 CYS CB C 69 27.610 27.610 27.679 -0.069 18714 382 1 . 1 1 69 69 CYS H H 69 8.313 8.313 8.496 -0.183 18714 383 1 . 1 1 70 70 LEU N N 70 123.832 123.832 123.964 -0.132 18714 384 1 . 1 1 70 70 LEU HA H 70 4.267 4.267 4.301 -0.034 18714 385 1 . 1 1 70 70 LEU C C 70 176.645 176.645 176.421 0.224 18714 386 1 . 1 1 70 70 LEU CA C 70 55.283 55.283 55.478 -0.195 18714 387 1 . 1 1 70 70 LEU CB C 70 42.259 42.259 42.030 0.228 18714 388 1 . 1 1 70 70 LEU H H 70 8.201 8.201 8.169 0.032 18714 389 1 . 1 1 71 71 HIS N N 71 119.423 119.423 120.718 -1.295 18714 390 1 . 1 1 71 71 HIS HA H 71 4.648 4.648 4.570 0.078 18714 391 1 . 1 1 71 71 HIS C C 71 174.494 174.494 174.556 -0.062 18714 392 1 . 1 1 71 71 HIS CA C 71 55.424 55.424 55.849 -0.425 18714 393 1 . 1 1 71 71 HIS CB C 71 29.687 29.687 29.810 -0.123 18714 394 1 . 1 1 71 71 HIS H H 71 8.308 8.308 8.288 0.020 18714 395 1 . 1 1 72 72 LEU N N 72 122.990 122.990 124.561 -1.571 18714 396 1 . 1 1 72 72 LEU HA H 72 4.333 4.333 4.442 -0.109 18714 397 1 . 1 1 72 72 LEU C C 72 176.645 176.645 176.269 0.376 18714 398 1 . 1 1 72 72 LEU CA C 72 54.981 54.981 54.488 0.493 18714 399 1 . 1 1 72 72 LEU CB C 72 42.181 42.181 42.346 -0.165 18714 400 1 . 1 1 72 72 LEU H H 72 8.146 8.146 8.116 0.030 18714 401 1 . 1 1 73 73 ASN HA H 73 4.733 4.733 4.715 0.018 18714 402 1 . 1 1 73 73 ASN C C 73 173.774 173.774 174.421 -0.647 18714 403 1 . 1 1 73 73 ASN CA C 73 53.033 53.033 53.081 -0.048 18714 404 1 . 1 1 73 73 ASN CB C 73 38.928 38.928 38.963 -0.035 18714 405 1 . 1 1 73 73 ASN H H 73 8.428 8.428 8.588 -0.160 18714 stop_ save_